Gaussian 16 GINC-IRENE3395 ZOUBRITL Napht_Me-DZ ES64L-G16RevC.01 25-Mar-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FOpt # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSymm Freq Opt=(MaxStep=10) Pop=(Regular,Orbitals=20) 156.93539999999996 0 1 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.1228,.0645,.0003;-2.75,.0645,.0003;-2.0281,1.2896,.0003;-2.746,2.5135,.0006;-4.1674,2.4841,.0008;-4.8389,1.2861,.0005;-4.6836,-.8819,.0002;-2.0232,3.7382,.0008;-4.7146,3.4386,.0009;-5.9385,1.2598,.0006;-.6504,3.7383,.0005;.0656,2.5164,0;-2.5877,4.6827,.001;-.0897,4.6846,.0003;1.1653,2.5428,-.0002;-.6064,1.3192,0;-1.9031,-1.3516,-.0001;-.2546,-1.3269,.0654;.1294,-.8307,-.8013;.0597,-.8039,.9444;.1162,-2.3302,.0956;-2.7035,-2.7916,-.0908;-3.3411,-2.8996,.7617;-3.2938,-2.816,-.9829;-1.9948,-3.593,-.11; /ccc/products/gaussian-16-C.01/system/default/g16/g16 Output=Napht_Me.log NProcShared=64 Mem=60GB Chk=Napht_Me-DZ.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/6=300,8=10,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,71=1,72=13,74=-58/1,2,3 4//1 5/5=2,7=300,38=5,53=13/2 6/28=1,96=20/1 7/30=1/1,2,3,16 1/6=300,8=10,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=300,38=5,53=13/2 7/30=1/1,2,3,16 1/6=300,8=10,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/19=2,28=1,96=20/1 99/9=1/99 Napht_Me-DZ Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 17 17 18 18 18 22 22 22 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 22 19 20 21 23 24 25 1.3728 1.416 1.1 1.422 1.65 1.4189 1.422 1.4217 1.4221 1.3733 1.1002 1.1 1.3729 1.1003 1.4162 1.1 1.0999 1.3729 1.65 1.65 1.07 1.07 1.07 1.07 1.07 1.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 2 2 18 17 17 17 19 19 20 17 17 17 23 23 24 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 17 17 17 18 18 18 18 18 18 22 22 22 22 22 22 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 22 22 19 20 21 20 21 21 23 24 25 24 25 25 120.3763 120.6477 118.976 120.5099 120.8832 118.6069 119.0959 121.7004 119.2037 119.2103 119.0596 121.73 120.4559 118.6441 120.8999 120.3516 119.0027 120.6457 120.5491 118.5913 120.8596 120.3669 120.6492 118.9839 118.991 120.3239 120.685 120.4968 120.0 120.0 119.9924 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 15 2 2 2 22 22 22 2 2 2 18 18 18 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 17 17 17 17 17 17 17 17 17 17 17 17 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 18 18 18 18 18 18 22 22 22 22 22 22 3 17 3 17 5 10 5 10 4 16 4 16 18 22 18 22 5 8 5 8 12 12 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 3 19 20 21 19 20 21 23 24 25 23 24 25 -0.011 -179.9971 179.9952 0.009 -0.0029 -179.9936 179.991 0.0003 0.0171 -179.9875 -179.9964 -0.0011 -177.3743 3.6257 2.6393 -176.3607 -0.0096 179.9947 179.995 -0.0008 -179.9995 -0.0042 -0.004 -179.9878 179.9916 0.0078 0.0014 179.9984 -179.9942 0.0027 0.0104 -179.999 179.9938 -0.0156 0.0027 179.9839 -179.9941 -0.013 -179.9982 -0.0078 0.0203 -179.9892 0.0084 179.9987 -62.2383 57.7617 177.7617 116.7617 -123.2382 -3.2383 -61.786 58.214 178.214 119.2139 -120.786 -0.7861 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 Berny optimization. local minimum Step number 23 out of a maximum of 150 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00036 0.00194 0.00473 0.01423 0.01511 0.01719 0.01773 0.01887 0.01906 0.02043 0.02054 0.02060 0.02122 0.02193 0.02214 0.02238 0.02335 0.02887 0.04656 0.05407 0.06194 0.06946 0.11578 0.12742 0.14208 0.15395 0.15993 0.15999 0.16002 0.16018 0.16027 0.16132 0.16263 0.16576 0.19958 0.21053 0.22057 0.22170 0.22295 0.22915 0.23802 0.24508 0.24695 0.25496 0.28151 0.33650 0.33669 0.33686 0.33706 0.33827 0.34213 0.35774 0.36573 0.37042 0.37163 0.37199 0.37243 0.37832 0.39528 0.40959 0.41187 0.42456 0.42931 0.43686 0.48438 0.49017 0.49986 0.56345 0.60290 -3.06563427e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 2.61369 2.67285 2.05452 2.70915 2.97851 2.68908 2.57959 2.68097 2.67718 2.58762 2.05350 2.05107 2.58661 2.05359 2.67272 2.04902 2.05777 2.48089 2.97492 2.98716 2.07684 2.06532 2.07049 2.07989 2.06647 2.07081 2.13952 2.08153 2.06200 2.05152 2.07200 2.15784 2.09681 2.06539 2.12065 2.08741 2.06160 2.13416 2.09655 2.07635 2.11023 2.09383 2.08915 2.10018 2.08340 2.08407 2.11570 2.06459 2.12402 2.09456 2.08354 2.16937 2.03028 2.06665 2.13362 2.08282 2.06488 1.85909 1.99424 1.96524 1.84526 1.87109 1.91965 1.87939 2.01407 1.94200 1.87733 1.83818 1.90333 -0.04220 3.03703 3.11721 -0.08675 0.03078 -3.11874 -3.12844 0.00522 0.02325 -3.09089 -3.05265 0.11640 -2.43663 0.63821 0.63854 -2.56981 0.00645 -3.12851 3.11971 -0.01526 3.13005 0.01630 -0.01886 3.13328 3.11582 -0.01522 0.00440 3.14141 -3.13038 0.00663 0.00115 -3.13246 3.13198 -0.00163 0.00464 3.14040 -3.13228 0.00347 3.13378 -0.00380 -0.00208 -3.13966 -0.00674 3.13876 -1.61126 0.41930 2.62579 1.59642 -2.65620 -0.44971 -1.73708 0.35958 2.54004 1.34040 -2.84613 -0.66568 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00004 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 0.00003 -0.00005 0.00003 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00003 0.00004 0.00003 0.00003 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00002 -0.00001 0.00002 -0.00004 -0.00002 -0.00005 -0.00005 -0.00003 -0.00006 -0.00036 -0.00029 -0.00032 -0.00035 -0.00029 -0.00032 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00002 -0.00003 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00005 0.00003 0.00003 -0.00001 0.00001 0.00001 0.00003 -0.00001 -0.00003 0.00004 -0.00000 -0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00005 0.00001 -0.00005 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00003 0.00006 0.00008 0.00009 0.00013 0.00004 0.00007 -0.00001 0.00000 -0.00003 -0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00003 0.00001 0.00001 0.00003 0.00003 0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00006 0.00003 -0.00007 0.00003 -0.00003 0.00006 0.00003 0.00006 0.00003 -0.00001 0.00002 -0.00000 -0.00001 0.00001 -0.00003 0.00003 0.00004 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00002 -0.00004 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00005 0.00003 0.00002 0.00003 -0.00001 -0.00000 0.00002 -0.00001 -0.00003 0.00006 0.00003 -0.00005 0.00002 -0.00002 -0.00003 -0.00000 -0.00006 0.00000 -0.00005 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00007 0.00008 0.00012 0.00017 0.00006 0.00011 -0.00002 0.00000 -0.00002 -0.00001 0.00002 0.00002 0.00000 -0.00001 -0.00001 -0.00003 0.00001 0.00000 0.00003 0.00002 0.00001 0.00000 0.00002 0.00002 -0.00003 -0.00002 -0.00002 -0.00001 -0.00007 0.00005 -0.00008 0.00004 -0.00005 0.00007 -0.00001 0.00003 -0.00002 -0.00006 -0.00001 -0.00007 -0.00037 -0.00029 -0.00035 -0.00033 -0.00025 -0.00031 2.61368 2.67286 2.05452 2.70914 2.97852 2.68907 2.57959 2.68098 2.67718 2.58761 2.05350 2.05108 2.58661 2.05359 2.67272 2.04902 2.05777 2.48089 2.97493 2.98715 2.07683 2.06533 2.07049 2.07988 2.06647 2.07082 2.13950 2.08153 2.06201 2.05154 2.07202 2.15781 2.09681 2.06538 2.12066 2.08741 2.06159 2.13417 2.09655 2.07635 2.11023 2.09383 2.08915 2.10018 2.08340 2.08407 2.11571 2.06460 2.12402 2.09456 2.08354 2.16936 2.03028 2.06664 2.13357 2.08285 2.06490 1.85912 1.99423 1.96523 1.84528 1.87108 1.91962 1.87945 2.01410 1.94194 1.87735 1.83816 1.90330 -0.04221 3.03697 3.11721 -0.08680 0.03078 -3.11875 -3.12845 0.00521 0.02326 -3.09087 -3.05257 0.11648 -2.43651 0.63837 0.63860 -2.56970 0.00644 -3.12851 3.11968 -0.01527 3.13006 0.01633 -0.01886 3.13327 3.11581 -0.01525 0.00441 3.14141 -3.13036 0.00665 0.00116 -3.13245 3.13200 -0.00161 0.00461 3.14038 -3.13230 0.00346 3.13371 -0.00375 -0.00216 -3.13962 -0.00678 3.13883 -1.61128 0.41934 2.62577 1.59637 -2.65621 -0.44978 -1.73744 0.35930 2.53969 1.34007 -2.84637 -0.66599 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.000613 0.000155 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.485680e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 17 17 18 18 18 22 22 22 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 22 19 20 21 23 24 25 1.3831 1.4144 1.0872 1.4336 1.5762 1.423 1.3651 1.4187 1.4167 1.3693 1.0867 1.0854 1.3688 1.0867 1.4143 1.0843 1.0889 1.3128 1.5743 1.5807 1.099 1.0929 1.0957 1.1006 1.0935 1.0958 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 2 2 18 17 17 17 19 19 20 17 17 17 23 23 24 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 17 17 17 18 18 18 18 18 18 22 22 22 22 22 22 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 22 22 19 20 21 20 21 21 23 24 25 24 25 25 122.5854 119.2631 118.1439 117.5436 118.717 123.6353 120.1383 118.3379 121.5045 119.5998 118.1207 122.2783 120.1237 118.9663 120.9072 119.9674 119.6996 120.3315 119.3701 119.4084 121.2209 118.2923 121.6974 120.0094 119.3779 124.2955 116.3263 118.4101 122.2474 119.3366 118.3091 106.518 114.2614 112.5998 105.7255 107.2057 109.9879 107.6813 115.3977 111.2684 107.5633 105.32 109.0529 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 15 2 2 2 22 22 22 2 2 2 18 18 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 17 17 17 17 17 17 17 17 17 17 17 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 18 18 18 18 18 18 22 22 22 22 22 3 17 3 17 5 10 5 10 4 16 4 16 18 22 18 22 5 8 5 8 12 12 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 3 19 20 21 19 20 21 23 24 25 23 24 -2.418 174.0088 178.603 -4.9702 1.7638 -178.6907 -179.2464 0.2991 1.3321 -177.095 -174.9037 6.6692 -139.6089 36.5666 36.5855 -147.239 0.3698 -179.2506 178.746 -0.8744 179.3386 0.934 -1.0807 179.5238 178.5233 -0.8721 0.2518 179.9893 -179.3578 0.3797 0.0659 -179.4766 179.4495 -0.0931 0.2659 179.9315 -179.4667 0.1989 179.5523 -0.2176 -0.1192 -179.8891 -0.386 179.8377 -92.3186 24.0242 150.4464 91.4683 -152.1889 -25.7667 -99.5271 20.6026 145.5334 76.7992 -163.0711 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 1 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 7 No pseudopotential on this center. 17 5 No pseudopotential on this center. 18 6 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 1 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 1 No pseudopotential on this center. 25 25 25 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.1228,.0645,.0003;-2.75,.0645,.0003;-2.0281,1.2896,.0003;-2.746,2.5135,.0006;-4.1674,2.4841,.0008;-4.8389,1.2861,.0005;-4.6836,-.8819,.0002;-2.0232,3.7382,.0007;-4.7146,3.4386,.0009;-5.9385,1.2598,.0006;-.6504,3.7383,.0005;.0656,2.5164,0;-2.5877,4.6827,.001;-.0897,4.6846,.0003;1.1653,2.5428,-.0002;-.6064,1.3191,0;-1.9031,-1.3516,-.0001;-.2546,-1.3269,.0654;.1294,-.8307,-.8013;.0597,-.8039,.9444;.1162,-2.3302,.0956;-2.7035,-2.7916,-.0908;-3.3411,-2.8996,.7617;-3.2938,-2.816,-.9829;-1.9948,-3.593,-.11; 0.000000 1.372801 0.000000 2.426696 1.422011 0.000000 2.809503 2.448990 1.418868 0.000000 2.420024 2.804177 2.450175 1.421719 0.000000 1.416027 2.419857 2.810793 2.426253 1.373340 0.000000 1.099995 2.152700 3.430275 3.909294 3.405310 2.173542 0.000000 4.231379 3.744921 2.448597 1.422083 2.483991 3.733721 5.331267 0.000000 3.425575 3.904351 3.440263 2.175176 1.100209 2.156015 4.320528 2.708036 0.000000 2.173799 3.405164 3.910542 3.429902 2.153127 1.099953 2.482226 4.633822 2.499019 0.000000 5.055174 4.231468 2.809645 2.427284 3.733954 4.853535 6.132892 1.372861 4.075304 5.840183 0.000000 4.853373 3.733614 2.426677 2.811625 4.233162 5.056488 5.839788 2.419968 4.868418 6.134271 1.416225 0.000000 4.866723 4.621107 3.438965 2.175035 2.707305 4.074919 5.946221 1.100349 2.464125 4.790096 2.155279 3.425389 0.000000 6.132855 5.331323 3.909410 3.430704 4.633571 5.839927 7.217299 2.152742 4.789872 6.777810 1.099963 2.173779 2.498010 0.000000 5.840073 4.633785 3.430492 3.911361 5.332991 6.134282 6.777730 3.405205 5.947741 7.218754 2.173843 1.099946 4.320169 2.482342 0.000000 3.733593 2.483844 1.422034 2.450364 3.746722 4.232647 4.633355 2.803436 4.622730 5.332486 2.419517 1.372941 3.903755 3.404883 2.153178 0.000000 2.632947 1.650000 2.644132 3.955877 4.454134 3.946675 2.819855 5.091186 5.554271 4.806623 5.241738 4.340164 6.073016 6.302689 4.957968 2.968884 0.000000 4.111396 2.857884 3.161612 4.578186 5.462418 5.277121 4.451760 5.365414 6.527315 6.245176 5.081042 3.857171 6.446973 6.014134 4.122548 2.670154 1.650000 0.000000 4.418749 3.120094 3.129365 4.482655 5.485750 5.459636 4.879514 5.113873 6.506489 6.467819 4.703844 3.442233 6.198707 5.577530 3.618775 2.409405 2.245974 1.070000 0.000000 4.374800 3.088682 3.103716 4.446062 5.437787 5.408802 4.836928 5.085259 6.456225 6.413104 4.693263 3.452004 6.164576 5.571141 3.649037 2.417222 2.245974 1.070000 1.747303 0.000000 4.869586 3.736141 4.208309 5.626888 6.444784 6.135104 5.014424 6.435152 7.524892 7.039622 6.117399 4.847749 7.516699 7.018434 4.985576 3.721393 2.245974 1.070000 1.747303 1.747303 0.000000 3.190575 2.857884 4.137692 5.305999 5.475759 4.603876 2.752420 6.565749 6.547317 5.185248 6.845626 5.987561 7.475770 7.920458 6.590284 4.615661 1.650000 2.857775 3.517872 3.557741 2.863299 0.000000 3.158607 3.116872 4.455677 5.498605 5.499638 4.510348 2.540388 6.809995 6.529759 4.962502 7.202811 6.443486 7.657547 8.286808 7.106866 5.084925 2.245974 3.533325 4.332152 3.998747 3.566588 1.070000 0.000000 3.154507 3.091805 4.407297 5.447044 5.460900 4.492383 2.576568 6.748251 6.488877 4.957154 7.135308 6.378540 7.595863 8.215316 7.040299 5.028662 2.245974 3.543007 3.961376 4.359862 3.609312 1.070000 1.747303 0.000000 4.232926 3.736248 4.883942 6.153470 6.454703 5.648592 3.819906 7.332067 7.540034 6.254128 7.454321 6.448397 8.297668 8.494705 6.902647 5.105768 2.245974 2.862542 3.552533 3.620966 2.468465 1.070000 1.747303 1.747303 0.000000 1.2142037 0.7198971 0.4545811 -10.31166 -10.30888 -10.30843 -10.30599 -10.28419 -10.25078 -10.23455 -6.85721 -1.02146 -0.94819 -0.90157 -0.85083 -0.83670 -0.78861 -0.75881 -0.73942 -0.71497 -0.68751 -0.61290 -0.60113 -0.59217 -0.53752 -0.52686 -0.51621 -0.49885 -0.49784 -0.49208 -0.48299 -0.47991 -0.45728 -0.45509 -0.44673 -0.43201 -0.42664 -0.38071 -0.37617 -0.36149 -0.32610 -0.31671 -0.30617 -0.00254 0.05065 0.05369 0.12266 0.17005 0.17503 0.19002 0.20625 0.22574 0.23490 0.24503 0.24533 0.26277 0.26511 0.27674 0.28199 0.28839 0.30653 0.30800 0.32133 0.33589 0.37272 0.37562 0.38610 0.39414 0.41070 0.42456 0.47131 0.51537 0.54042 0.54447 0.57678 0.57893 0.59690 0.59962 0.61278 0.62992 0.63057 0.64252 0.66385 0.66698 0.67555 0.68433 0.68558 0.69071 0.69346 0.70595 0.71403 0.72281 0.74329 0.74475 0.76398 0.76637 0.77596 0.79746 0.80003 0.81484 0.85490 0.89088 0.89825 0.89969 0.90458 0.92106 0.94729 0.96244 0.97508 0.98265 0.98689 1.00338 1.00890 1.02150 1.03420 1.04968 1.05968 1.07142 1.07757 1.10434 1.10736 1.14467 1.15883 1.17921 1.20133 1.24799 1.26174 1.27880 1.28033 1.29487 1.31720 1.33589 1.33892 1.35824 1.38455 1.41690 1.43716 1.45601 1.46785 1.48738 1.48785 1.49612 1.52505 1.55227 1.58079 1.58313 1.63160 1.65544 1.67541 1.69146 1.77328 1.77694 1.80489 1.80936 1.85482 1.85878 1.90593 1.91040 1.91406 1.94166 1.94793 1.95961 2.00445 2.01874 2.02056 2.03479 2.04135 2.08343 2.09445 2.11565 2.12968 2.14531 2.15131 2.18104 2.18247 2.19144 2.20474 2.21661 2.23718 2.26584 2.29613 2.31655 2.33928 2.34977 2.35751 2.37534 2.38195 2.38417 2.41913 2.43735 2.45859 2.47643 2.48422 2.48685 2.53118 2.53675 2.56423 2.56902 2.57982 2.59354 2.59743 2.60974 2.64372 2.66240 2.67922 2.68706 2.70086 2.71479 2.74863 2.77573 2.78907 2.79681 2.80780 2.84014 2.85118 2.87410 2.93759 2.98765 3.01240 3.01478 3.06043 3.08891 3.09983 3.12763 3.21741 3.25099 3.29338 3.30837 3.35545 3.38468 3.40681 3.43401 3.45718 3.47837 3.58022 3.59860 3.60866 3.64147 3.83479 3.90938 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.37617 -0.36149 -0.32610 -0.31671 -0.30617 -0.00254 0.05065 0.05369 0.12266 0.17005 0.00930 0.01329 0.00001 -0.00122 0.00032 0.00044 -0.00012 0.00086 -0.00088 0.04100 -0.01543 -0.02826 -0.00003 0.00115 -0.00075 -0.00113 0.00017 -0.00255 0.00286 -0.08208 -0.08235 -0.09988 -0.00013 0.02544 -0.00097 -0.00144 0.00019 -0.00257 0.00273 0.07017 0.08670 0.03929 -0.00016 -0.03509 -0.00031 0.00050 -0.00014 0.00086 -0.00038 0.09418 -0.00372 0.00395 -0.22925 -0.00188 0.15738 -0.21041 -0.23174 -0.11588 0.03333 -0.00324 -0.06738 -0.06610 0.00040 0.05569 -0.00191 -0.00351 0.00181 -0.00289 0.00208 -0.44997 -0.05144 -0.03186 -0.00034 0.03440 0.00052 0.00005 -0.00145 0.00256 -0.00163 0.15834 0.00912 -0.03190 0.00046 -0.01057 -0.00185 -0.00176 0.00295 -0.00265 0.00649 0.33567 -0.00233 0.00298 -0.16764 -0.00171 0.12511 -0.23008 -0.31941 -0.14175 0.02516 -0.00450 0.00121 -0.00051 -0.00003 -0.00043 -0.00000 -0.00005 -0.00003 -0.00011 0.00010 -0.00448 -0.00014 -0.00007 0.00403 -0.00042 0.01511 0.01502 -0.00767 0.00229 0.02178 0.00008 -0.00010 0.00019 -0.00814 0.00022 -0.00581 -0.00608 0.01163 -0.00264 -0.00993 0.00016 -0.00185 -0.00300 -0.00002 0.00055 -0.00003 -0.00003 -0.00003 -0.00003 0.00003 -0.01158 -0.01570 -0.00592 0.00002 0.00681 0.00015 -0.00005 0.00004 -0.00017 0.00030 0.01338 -0.03706 -0.01059 -0.00017 -0.00293 0.00019 0.00022 -0.00028 0.00026 -0.00047 0.00478 0.06708 0.01902 0.00022 0.01118 0.00001 -0.00041 -0.00004 -0.00091 0.00122 -0.01139 0.14778 0.10898 0.00039 -0.01220 0.00059 0.00034 0.00027 0.00038 0.00043 0.00778 -0.27872 -0.07109 0.00031 0.13759 0.00450 0.00121 -0.00046 0.00128 -0.00132 0.05138 -0.00391 0.00008 -0.00345 -0.00704 0.27318 0.19545 -0.01184 0.05444 0.22349 0.00266 0.17268 0.06374 0.00139 0.00179 -0.00245 -0.00177 0.00376 -0.00181 0.00146 -0.10400 0.03065 0.03901 0.00054 0.05693 -0.00037 -0.00103 0.00024 0.00356 -0.00408 -0.01430 -0.09656 0.00477 -0.00143 0.06894 0.00367 0.00121 -0.00866 -0.00090 -0.00795 -0.06123 -0.00225 -0.00032 0.00285 -0.00506 0.20362 0.23375 0.00107 0.06044 0.31693 0.00241 0.00252 0.00062 -0.00001 -0.00024 0.00001 0.00000 -0.00004 -0.00001 0.00003 -0.00009 0.00003 -0.00025 0.01395 0.00004 -0.00646 0.01121 0.02086 0.00995 -0.01029 0.00017 -0.00036 0.00041 0.00846 -0.00003 0.00178 -0.00338 0.01567 -0.02020 0.00535 0.00010 0.00205 -0.00982 0.00002 0.00276 -0.00027 -0.00047 0.00014 -0.00096 0.00117 -0.00220 -0.00805 0.00273 0.00004 0.00734 0.00035 0.00025 -0.00008 0.00048 -0.00061 -0.01341 0.00758 -0.00698 -0.00016 -0.02336 -0.00092 -0.00053 0.00008 -0.00098 0.00114 0.03186 -0.01248 0.01767 0.00035 0.05816 0.00228 0.00140 -0.00051 0.00245 -0.00355 -0.08870 0.09299 -0.01528 0.00115 0.13946 0.00231 -0.00045 0.00030 -0.00110 0.00144 -0.00330 0.13247 -0.01029 -0.00075 -0.12306 -0.00458 -0.00187 0.00029 -0.00302 0.00298 -0.01844 -0.00531 0.00443 0.26942 -0.00318 0.03757 -0.00780 0.31198 -0.19053 -0.10530 0.00012 -0.06920 0.01094 0.00128 0.06240 0.00350 0.00341 0.00443 0.00756 -0.00137 0.02938 0.06584 0.02675 -0.00121 -0.04509 -0.00091 -0.00137 -0.00477 -0.00558 0.00108 -0.09880 0.02478 0.02080 0.00037 0.05016 0.00066 0.00038 -0.00064 0.00298 -0.00484 0.02092 -0.00390 0.00319 0.18036 -0.00174 0.01723 -0.02451 0.36643 -0.17883 -0.13828 0.00042 -0.00048 0.00089 -0.00002 -0.00051 0.00001 0.00004 -0.00007 0.00008 -0.00019 -0.00906 -0.00029 0.00040 -0.00517 0.00037 -0.01502 -0.01718 0.00562 0.02032 0.00559 -0.00016 0.00027 -0.00010 0.00874 0.00019 -0.01036 -0.01025 -0.01206 -0.01203 -0.02135 -0.00020 -0.00876 -0.00426 -0.00000 0.00475 0.00014 0.00011 -0.00011 0.00026 -0.00045 0.00598 -0.00031 -0.00152 0.00016 0.02564 0.00062 0.00009 -0.00004 0.00010 -0.00021 0.00338 -0.00432 0.00150 0.00013 0.02048 0.00063 0.00026 -0.00006 0.00046 -0.00059 0.01719 0.00774 -0.00287 -0.00021 -0.04133 -0.00130 -0.00051 0.00028 -0.00079 0.00116 -0.02543 0.00860 0.02316 -0.00058 -0.09730 -0.00220 -0.00039 0.00010 -0.00072 0.00110 0.01848 -0.06341 -0.00904 0.00085 0.15295 0.00412 0.00091 -0.00022 0.00138 -0.00162 -0.03734 0.00416 -0.00365 0.26568 -0.00095 -0.02623 0.00462 -0.26239 -0.14518 -0.18866 -0.00099 0.04900 0.00272 -0.00163 -0.16245 -0.00402 -0.00210 -0.00215 -0.00669 0.00688 -0.34608 0.08046 -0.01000 0.00025 -0.01060 -0.00116 -0.00128 0.00124 -0.00313 0.00415 -0.05731 -0.01517 -0.00618 0.00159 0.16179 0.00411 0.00157 0.00249 0.00435 -0.00090 0.10099 0.00273 -0.00229 0.19113 -0.00091 -0.01545 0.00615 -0.31892 -0.22448 -0.28188 -0.00154 0.00005 0.00005 0.00000 -0.00012 -0.00001 -0.00001 0.00003 0.00000 0.00007 -0.00248 0.00004 -0.00020 0.00566 -0.00042 0.01525 -0.01891 0.00880 -0.00405 -0.02040 0.00015 0.00046 -0.00049 -0.00753 -0.00006 0.00556 -0.01040 -0.01766 0.02135 0.00910 0.00014 0.00541 -0.00084 0.00005 0.00556 0.00007 -0.00007 0.00006 -0.00013 0.00026 0.00699 -0.00588 -0.00036 0.00002 0.00327 0.00012 0.00005 -0.00000 0.00008 -0.00000 0.01867 -0.00546 -0.00067 -0.00010 -0.01145 -0.00022 0.00001 -0.00003 0.00004 -0.00005 0.03137 0.00936 0.00158 0.00017 0.02345 0.00049 0.00000 -0.00004 -0.00013 0.00008 -0.05428 0.02332 -0.01793 0.00047 0.06534 0.00115 -0.00005 0.00003 -0.00017 0.00034 0.11156 0.02960 0.00558 -0.00019 -0.02814 -0.00056 -0.00002 -0.00001 0.00008 -0.00027 -0.12333 0.00175 0.00160 -0.01592 0.00695 -0.27164 0.24977 -0.00657 0.09336 0.29262 -0.00161 0.06935 -0.00555 0.00104 0.09827 0.00150 -0.00025 0.00123 0.00025 0.00109 -0.43188 0.03590 -0.02175 0.00061 0.05014 0.00030 -0.00063 0.00120 -0.00118 0.00113 0.25630 0.00809 0.00370 -0.00054 -0.04128 -0.00073 -0.00019 -0.00104 -0.00119 -0.00101 -0.41895 0.00128 0.00099 -0.00933 0.00514 -0.20386 0.28331 -0.02791 0.15067 0.47649 -0.00199 -0.00064 -0.00004 -0.00000 0.00016 0.00001 0.00000 -0.00001 -0.00001 0.00001 -0.00305 0.00017 -0.00021 0.01470 -0.00015 0.00218 0.00333 -0.02167 -0.00905 -0.00194 -0.00017 0.00009 -0.00023 0.00888 -0.00027 0.00775 0.00366 -0.01329 0.00183 0.01300 -0.00012 -0.00278 -0.00312 0.00002 0.00297 0.00003 -0.00004 0.00002 -0.00008 0.00008 -0.01355 -0.00409 -0.00163 0.00004 0.00765 0.00018 0.00002 -0.00001 0.00003 -0.00007 -0.01456 -0.01301 -0.00864 -0.00002 0.00253 -0.00007 -0.00018 0.00003 -0.00042 0.00054 0.02910 0.03027 0.01798 0.00009 -0.00365 0.00009 0.00030 0.00003 0.00075 -0.00098 -0.03898 0.06910 0.05485 0.00003 -0.01994 0.00005 0.00034 -0.00005 0.00059 -0.00030 0.14140 -0.10353 -0.04712 0.00016 0.04440 0.00067 -0.00045 -0.00006 -0.00108 0.00112 -0.00183 -0.00131 0.00453 -0.23889 0.00641 -0.17602 -0.13009 0.23929 0.04303 -0.24157 0.00287 0.05368 0.06006 -0.00070 -0.03764 0.00116 0.00254 -0.00302 0.00444 -0.00888 -0.57858 0.02531 0.03612 -0.00028 -0.03176 0.00019 0.00074 -0.00072 0.00043 -0.00059 0.22422 -0.05293 -0.04671 0.00028 0.01302 -0.00083 -0.00155 0.00138 -0.00375 0.00359 0.00118 -0.00110 0.00327 -0.17595 0.00496 -0.13841 -0.14831 0.33370 0.01951 -0.38262 0.00423 0.00088 0.00037 0.00001 0.00006 -0.00002 0.00000 0.00002 0.00002 -0.00003 -0.00208 -0.00006 0.00014 -0.00528 0.00012 -0.00293 0.00197 -0.00578 -0.00300 0.00868 -0.00014 0.00017 -0.00005 0.00648 0.00031 -0.01498 0.02067 0.01088 0.01013 0.01510 0.00009 -0.00373 -0.00457 0.00001 0.00301 0.00001 -0.00004 0.00000 -0.00008 0.00009 0.02239 -0.00162 -0.00029 0.00002 0.00208 0.00004 0.00001 0.00002 0.00004 -0.00007 0.00340 -0.05503 -0.01029 0.00018 0.02501 0.00050 -0.00025 0.00014 -0.00073 0.00099 0.05721 -0.07819 -0.02863 0.00013 0.03527 0.00073 -0.00021 0.00022 -0.00032 0.00425 0.73579 -0.00217 -0.00186 0.00001 0.00027 -0.00002 -0.00001 0.00004 -0.00002 0.00000 -0.00137 0.00016 0.00066 -0.00001 -0.00000 0.00001 -0.00001 -0.00004 -0.00003 0.00005 -0.00530 -0.00008 0.00012 -0.00552 -0.00004 0.00380 -0.00701 -0.00842 -0.00374 0.00102 -0.00013 0.01036 0.00057 0.00000 -0.00196 -0.00013 -0.00011 0.00004 -0.00024 0.00033 0.02130 -0.01952 -0.00072 0.00002 0.00826 0.00039 0.00027 -0.00014 0.00056 -0.00074 -0.03336 0.02999 -0.00740 0.00012 0.01038 -0.00002 -0.00027 0.00005 -0.00038 0.00071 0.04541 0.05589 0.00051 -0.00020 -0.04023 -0.00139 -0.00035 0.00014 -0.00064 0.00042 -0.16028 0.00935 -0.01066 0.00840 -0.00476 0.21241 -0.24430 -0.03301 0.23692 0.04900 0.00285 -0.09734 0.00320 -0.00088 -0.07396 -0.00121 0.00046 -0.00141 0.00127 -0.00479 -0.35185 0.00043 -0.00199 0.00015 0.00126 -0.00004 -0.00018 0.00088 -0.00009 0.00238 0.19990 0.05177 -0.00053 0.00015 -0.00175 -0.00032 -0.00000 0.00044 -0.00017 0.00003 -0.40608 0.00636 -0.00742 0.01061 -0.00335 0.15305 -0.27868 -0.06063 0.34199 0.11795 0.00449 0.00031 0.00001 0.00001 0.00109 0.00003 0.00001 -0.00001 0.00003 -0.00003 -0.00158 0.00023 -0.00028 -0.01415 -0.00013 0.00915 0.00397 0.02349 -0.00272 0.00617 -0.00019 -0.00016 0.00016 -0.00888 0.00006 -0.00013 0.00089 0.01274 0.00736 0.01257 0.00002 -0.00128 -0.00100 0.00002 0.00407 0.00011 0.00004 -0.00001 0.00008 -0.00015 -0.00355 -0.00054 -0.00073 0.00005 0.00831 0.00019 0.00002 -0.00001 0.00003 -0.00006 -0.01661 0.02368 0.01516 -0.00027 -0.04495 -0.00091 -0.00001 0.00004 0.00009 -0.00001 0.05651 0.02854 0.01521 -0.00023 -0.05753 -0.00134 -0.00011 0.00060 0.00022 0.00105 0.84791 0.00072 0.00028 0.00000 0.00036 0.00001 0.00001 -0.00001 0.00003 -0.00003 0.00093 0.00011 -0.00009 0.00000 0.00068 0.00002 0.00001 -0.00001 0.00002 -0.00001 0.00619 0.00005 0.00003 -0.00041 0.00017 -0.00669 0.00788 -0.00030 0.00412 0.01257 -0.00006 -0.03764 -0.03553 0.00000 0.01621 0.00003 -0.00024 0.00002 -0.00047 0.00056 0.06496 -0.04824 -0.04002 -0.00003 0.01514 0.00001 -0.00057 0.00007 -0.00183 0.00366 0.68783 -0.00068 -0.00061 0.00000 0.00015 -0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00455 -0.00178 -0.00060 -0.00000 0.00069 0.00002 -0.00000 -0.00002 -0.00001 0.00002 -0.00120 -0.00002 0.00010 -0.00582 0.00015 -0.00432 -0.00448 0.00853 0.00204 -0.01006 0.00014 0.01129 -0.00038 0.00016 0.02053 0.00038 -0.00007 0.00000 -0.00019 0.00028 0.02332 -0.02604 -0.00002 -0.00038 -0.04691 -0.00093 0.00005 -0.00006 0.00020 -0.00037 -0.03364 -0.02987 0.00969 -0.00055 -0.06781 -0.00129 0.00002 0.00011 0.00005 -0.00004 -0.05712 0.06521 -0.00452 0.00105 0.13990 0.00274 -0.00010 -0.00000 -0.00028 0.00021 -0.10593 0.00743 -0.00827 -0.21999 -0.00273 0.17007 0.12253 0.26140 -0.08857 0.07747 -0.00356 -0.03429 0.00983 -0.00054 -0.09273 -0.00137 0.00148 -0.00005 0.00345 -0.00567 -0.43557 -0.04598 0.00768 -0.00067 -0.08821 -0.00174 0.00030 0.00023 0.00080 -0.00149 -0.08378 0.02553 -0.00720 0.00033 0.06864 0.00102 -0.00089 -0.00050 -0.00192 0.00174 -0.19821 0.00515 -0.00592 -0.16559 -0.00224 0.13888 0.14397 0.35960 -0.14452 0.07526 -0.00605 -0.00048 -0.00019 -0.00000 -0.00116 -0.00003 -0.00003 -0.00000 -0.00001 0.00002 -0.00215 -0.00038 0.00046 -0.00425 0.00026 -0.01116 0.01890 -0.00523 -0.01753 -0.00687 -0.00007 -0.00003 -0.00001 0.00785 -0.00008 0.00274 -0.00824 0.01057 0.00851 0.00905 -0.00015 -0.00044 -0.00060 -0.00002 -0.00207 -0.00005 0.00000 -0.00001 0.00002 -0.00003 -0.00576 0.00070 -0.00003 0.00005 0.00714 0.00016 -0.00000 -0.00000 -0.00001 0.00003 0.01792 -0.00905 0.00012 -0.00014 -0.01927 -0.00038 0.00010 -0.00002 0.00024 -0.00037 0.03205 0.02117 0.00093 0.00037 0.04947 0.00102 -0.00007 0.00003 -0.00024 0.00027 -0.06253 0.01674 -0.01087 0.00005 0.01256 0.00004 0.00003 -0.00006 0.00012 0.00009 -0.07157 -0.06941 0.00109 -0.00113 -0.16465 -0.00330 0.00013 0.00003 0.00065 -0.00053 -0.01178 -0.00066 0.00196 -0.23317 0.00303 -0.10688 0.20621 -0.23868 -0.15495 -0.13665 0.00322 0.02082 -0.01234 0.00014 0.05466 0.00032 -0.00202 -0.00040 -0.00437 0.00553 -0.37803 0.00497 0.00014 0.00022 0.00586 0.00038 0.00086 0.00040 0.00211 -0.00118 -0.20086 0.00870 -0.00677 -0.00002 0.00067 -0.00010 -0.00058 -0.00008 -0.00099 0.00231 0.01129 -0.00075 0.00179 -0.16286 0.00241 -0.09225 0.20239 -0.30919 -0.18449 -0.19384 0.00529 -0.00097 0.00031 -0.00001 -0.00162 -0.00001 0.00002 0.00003 0.00003 0.00003 -0.00335 0.00002 -0.00005 0.00459 -0.00006 0.00242 0.00496 -0.00629 -0.00507 -0.00488 0.00017 0.00054 -0.00066 -0.00762 -0.00031 0.01574 0.01810 0.01370 -0.01898 -0.00556 -0.00007 0.00909 -0.00130 0.00016 0.02200 0.00046 0.00001 0.00001 -0.00005 0.00004 0.01410 0.00671 -0.00032 0.00010 0.01564 0.00032 0.00000 -0.00002 -0.00003 -0.00005 -0.00203 0.01370 0.00473 -0.00028 -0.04582 -0.00115 -0.00021 0.00010 -0.00037 0.00058 0.04345 0.01274 0.00738 -0.00038 -0.06373 -0.00162 -0.00060 0.00045 -0.00139 0.00376 0.74774 0.00103 -0.00014 0.00000 0.00011 -0.00001 -0.00002 -0.00000 -0.00003 0.00004 -0.00611 0.00031 -0.00010 0.00000 0.00027 -0.00000 -0.00001 -0.00000 -0.00003 0.00004 0.00129 0.00022 -0.00025 0.00012 -0.00011 0.00519 -0.00764 -0.00122 0.00896 0.00335 0.00013 0.01841 0.00149 0.00040 0.05546 0.00117 -0.00000 -0.00000 -0.00011 0.00017 0.05458 0.03069 0.00171 0.00068 0.08842 0.00196 0.00005 0.00020 -0.00036 0.00141 0.58358 -0.00096 0.00005 -0.00002 -0.00197 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 0.00311 0.00009 -0.00001 0.00000 0.00026 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00273 0.00017 -0.00019 -0.00533 -0.00006 0.00409 0.00418 0.00950 -0.00299 0.00363 -0.00017 0.03609 -0.00916 0.00053 0.07305 0.00138 -0.00003 -0.00002 -0.00016 0.00007 0.04815 0.03956 -0.00739 0.00058 0.08829 0.00177 0.00017 -0.00026 -0.00012 -0.00171 0.50327 -0.00045 0.00012 -0.00000 -0.00025 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00365 -0.00131 0.00004 -0.00002 -0.00282 -0.00006 0.00000 0.00000 0.00002 -0.00002 0.00033 -0.00001 0.00004 -0.00571 0.00007 -0.00238 0.00742 -0.00858 -0.00615 -0.00584 0.00015 0.03192 0.00378 0.00045 0.06276 0.00133 -0.00006 0.00001 -0.00033 0.00028 -0.00816 -0.06859 -0.00638 -0.00104 -0.13691 -0.00283 0.00019 -0.00028 0.00077 -0.00087 0.01409 -0.08416 0.02175 -0.00177 -0.24989 -0.00530 -0.00041 0.00011 -0.00019 0.00075 -0.04458 0.17406 -0.00125 0.00291 0.40545 0.00840 0.00006 -0.00004 -0.00071 -0.00019 -0.00757 -0.00769 0.00993 -0.00282 0.00533 -0.24119 -0.23023 -0.02762 0.26192 0.15047 -0.00222 -0.13483 -0.03447 -0.00105 -0.21513 -0.00484 0.00074 0.00225 0.00413 -0.00178 0.09309 -0.04935 0.02827 -0.00165 -0.20583 -0.00396 -0.00024 -0.00101 -0.00058 0.00071 -0.02212 0.12236 0.00086 0.00222 0.28649 0.00644 0.00070 0.00058 0.00051 0.00050 -0.00524 -0.00535 0.00728 0.00187 0.00445 -0.18376 -0.23699 -0.02246 0.30113 0.18789 -0.00312 -0.00610 0.00045 -0.00011 -0.01446 -0.00031 -0.00004 -0.00003 -0.00003 0.00007 0.00051 0.00028 -0.00026 -0.01312 0.00007 0.00135 0.00925 -0.02060 -0.00157 -0.00032 0.00016 -0.00022 0.00036 -0.00735 0.00024 -0.01288 -0.00262 -0.01181 0.00223 -0.00350 0.00004 -0.00309 -0.00013 -0.00004 -0.00570 -0.00010 0.00008 -0.00002 0.00019 -0.00024 -0.00720 -0.00855 -0.00017 -0.00008 -0.01129 -0.00024 -0.00003 0.00002 0.00000 0.00012 -0.00466 0.00955 0.00926 0.00014 0.00466 0.00006 -0.00040 0.00070 -0.00075 0.00124 -0.01661 -0.00662 -0.01267 0.00034 -0.01263 -0.00084 -0.00004 0.00144 0.00113 0.00061 -0.01195 -0.05493 -0.35031 -0.00045 0.03456 -0.00816 -0.00869 0.00104 -0.01382 0.01408 -0.01693 0.31377 -0.07468 -0.00040 -0.10076 -0.00808 -0.00615 0.00135 -0.01022 0.01002 0.03713 0.00679 -0.01834 -0.00063 -0.00484 0.06529 0.18847 -0.03194 0.31085 -0.28236 -0.00098 0.01175 -0.00458 -0.00402 -0.03425 0.00258 0.00394 -0.01936 0.00145 -0.01762 0.18672 -0.01834 -0.11744 0.00113 0.00666 -0.00399 -0.00638 0.00805 -0.01521 0.02730 0.05846 0.09221 -0.00815 0.00033 -0.03907 -0.00110 -0.00356 0.00346 -0.01273 0.01995 0.02027 0.00126 -0.00527 -0.00321 -0.00188 0.05307 0.19237 -0.05379 0.43442 -0.37669 0.00380 -0.00137 -0.00076 0.00008 0.00140 0.00003 0.00008 0.00030 0.00016 -0.00011 0.00286 -0.00078 -0.00062 0.00142 0.00027 -0.00575 -0.00424 0.00473 -0.00308 -0.00671 -0.00031 -0.00095 0.00080 0.00061 0.00028 0.00796 0.00725 0.00160 0.00495 0.01165 0.00009 -0.00482 -0.02004 -0.00005 0.00289 -0.00025 -0.00007 -0.00005 0.00025 -0.00039 -0.00095 -0.02245 0.00195 -0.00003 0.00986 0.00051 0.00010 -0.00016 -0.00014 0.00011 0.00293 -0.00341 0.02634 -0.00003 -0.02072 0.00022 0.00046 -0.00002 0.00077 0.00032 0.02162 0.00687 -0.05048 -0.00012 0.03736 -0.00037 -0.00078 -0.00047 -0.00141 -0.00061 -0.02003 0.07306 0.37342 0.00087 0.00034 0.00819 0.00356 -0.00035 0.00352 0.00086 0.00458 -0.05406 0.05067 0.00057 0.14129 0.00524 0.00142 -0.00028 0.00007 -0.00210 0.01536 -0.00243 0.01550 -0.00610 -0.00294 -0.00633 -0.01449 -0.00210 -0.06360 -0.00459 0.00077 0.00994 -0.10368 0.00047 0.11116 -0.00127 -0.00450 0.00016 -0.00678 -0.00437 -0.33952 0.05062 0.21596 -0.00019 0.01511 0.00584 0.00247 -0.00423 0.00402 0.00779 0.00813 -0.03145 0.02611 -0.00001 0.04233 0.00173 0.00005 0.00003 0.00062 -0.00117 0.05030 -0.00045 0.00735 0.00114 -0.00197 -0.00443 0.01046 0.01964 -0.07815 -0.13874 -0.00166 -0.00115 0.00563 0.00001 0.00885 0.00031 -0.00027 -0.00003 -0.00094 0.00052 -0.00035 -0.00034 -0.00055 -0.00030 -0.00030 -0.00202 -0.00839 0.00105 -0.01753 0.01605 0.00006 -0.00063 0.00034 0.00011 0.00071 -0.00098 -0.00337 0.00123 -0.00548 0.00759 0.00002 -0.00208 -0.00716 0.00003 0.00692 0.00021 0.00054 -0.00012 0.00080 -0.00092 -0.00071 -0.00759 0.00278 0.00001 0.00729 0.00037 0.00036 -0.00017 0.00075 -0.00107 -0.00112 -0.00284 0.07671 0.00363 0.05827 0.01272 0.03160 -0.00139 0.05976 -0.05775 -0.00114 -0.01782 0.08283 0.00449 0.02026 0.02180 0.07661 0.00170 0.06932 -0.24988 0.08307 0.00107 0.00775 0.00015 -0.00068 0.00036 0.00146 0.00007 0.00419 -0.00262 -0.00015 -0.00242 -0.00141 -0.00029 -0.00238 0.00043 0.00058 -0.00043 -0.00223 -0.00051 0.00048 -0.00022 0.00391 0.00011 0.00155 0.00017 0.00018 0.00021 0.00030 -0.00080 -0.00013 -0.01039 0.07907 -0.00294 0.05898 -0.00602 -0.02910 0.00089 -0.05768 0.05357 -0.00001 -0.02571 0.08776 -0.00368 0.02472 -0.01573 -0.07043 -0.00071 -0.06052 0.24003 0.08383 0.00107 0.00798 -0.00014 -0.00056 -0.00011 -0.00133 -0.00014 -0.00388 0.00243 -0.00017 -0.00218 -0.00151 0.00027 -0.00225 -0.00065 -0.00074 0.00049 0.00241 0.00063 0.00040 0.00045 -0.00324 0.00007 -0.00152 -0.00003 0.00008 0.00018 -0.00018 -0.00060 0.00011 0.06205 0.03079 -0.00035 -0.09257 -0.00255 -0.00174 0.00053 -0.00232 0.00413 0.00641 0.06210 0.04885 -0.00051 -0.13750 -0.00351 -0.00311 0.00199 -0.00272 0.00962 0.17971 0.00180 0.00733 0.00004 0.00101 0.00019 0.00003 0.00005 -0.00014 0.00032 -0.00031 0.00184 0.00277 -0.00001 -0.00053 0.00005 0.00001 -0.00002 -0.00007 0.00005 -0.00101 -0.00010 0.00027 -0.00024 0.00004 -0.00006 -0.00029 -0.00042 -0.00096 -0.00024 -0.00007 0.01810 -0.02056 0.00000 -0.00932 -0.00130 -0.00041 -0.00001 0.00013 -0.00162 0.03887 -0.03271 0.04008 -0.00038 0.01795 0.00257 0.00065 -0.00149 -0.00083 0.00203 -0.04273 -0.08619 0.19595 0.00100 0.03840 0.00533 0.00230 0.00045 0.00122 0.00033 0.03054 -0.26587 0.16408 -0.00022 0.06646 0.00974 0.00230 -0.00066 0.00041 0.00445 0.02075 -0.01145 0.01529 0.00838 0.00527 -0.03299 -0.02357 0.01911 -0.03073 0.00117 -0.00234 -0.08005 0.08364 0.00116 0.04189 0.00670 0.00395 0.00440 0.00163 0.02172 -0.57459 -0.05726 0.11496 0.00038 0.02306 0.00474 0.00103 -0.00117 0.00104 0.00771 0.02572 -0.16064 0.09915 0.00139 0.04165 0.00576 0.00209 0.00688 0.00182 0.01314 0.11137 -0.00723 0.00857 0.00844 0.00219 -0.03212 -0.00079 0.03415 -0.00756 -0.12848 -0.00759 0.00014 -0.00631 -0.00011 -0.00015 0.00027 0.00079 -0.00037 0.00145 -0.00139 -0.00290 -0.00068 -0.00028 -0.00047 0.00000 0.00295 0.00663 -0.00204 0.01329 -0.01442 -0.00026 -0.00042 0.00080 -0.00033 0.00003 0.00220 0.00642 -0.00229 0.01194 -0.01135 0.00019 -0.00066 -0.00908 -0.00005 0.00020 -0.00010 0.00001 -0.00008 -0.00010 0.00046 -0.00015 -0.00858 -0.00316 0.00000 0.00202 -0.00010 -0.00064 0.00012 -0.00121 0.00141 -0.00497 0.02776 -0.07081 0.00399 -0.00794 -0.02229 -0.03167 0.01099 -0.05541 0.05812 -0.00884 0.02794 -0.08066 -0.00345 -0.01127 -0.01035 -0.06883 -0.02278 -0.12663 0.23429 0.25848 -0.00079 0.00270 0.00008 0.00053 -0.00008 0.00047 -0.00016 0.00152 -0.00142 -0.00224 -0.00599 0.00448 -0.00030 0.00152 0.00099 0.00158 -0.00132 0.00315 -0.00260 0.00260 -0.00182 0.00347 0.00009 0.00060 0.00008 0.00046 0.00028 0.00065 -0.00096 0.00026 0.02334 -0.07344 -0.00515 -0.00944 0.02013 0.03040 -0.01240 0.05380 -0.05555 -0.00979 0.02414 -0.08394 0.00331 -0.01337 0.00565 0.06629 0.02474 0.12567 -0.23782 0.23119 -0.00098 0.00279 -0.00008 0.00051 0.00023 -0.00045 0.00010 -0.00154 0.00139 -0.00194 -0.00603 0.00480 0.00029 0.00158 -0.00061 -0.00152 0.00123 -0.00317 0.00262 0.00232 0.00114 -0.00290 0.00008 -0.00043 -0.00009 0.00027 0.00041 0.00030 -0.00056 -0.00015 0.08799 0.03323 0.00048 -0.01330 -0.00117 0.00078 0.00064 0.00145 -0.00290 0.02624 0.09683 0.02475 0.00115 -0.02797 -0.00280 0.00114 0.00547 0.00378 -0.00877 0.29871 -0.00543 0.00288 -0.00001 0.00096 0.00016 0.00000 -0.00005 -0.00007 0.00022 0.00182 -0.00331 0.00351 0.00001 0.00125 0.00015 0.00004 0.00002 -0.00008 0.00026 -0.00031 -0.00022 0.00029 0.00014 0.00010 -0.00050 -0.00058 0.00034 -0.00036 -0.00011 -0.00003 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 7 H 1S 2S 3PX 3PY 3PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 9 H 1S 2S 3PX 3PY 3PZ 10 H 1S 2S 3PX 3PY 3PZ 11 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 18 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 19 H 1S 2S 3PX 3PY 3PZ 20 H 1S 2S 3PX 3PY 3PZ 21 H 1S 2S 3PX 3PY 3PZ 22 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 23 H 1S 2S 3PX 3PY 3PZ 24 H 1S 2S 3PX 3PY 3PZ 25 H 1S 2S 3PX 3PY 3PZ 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|7 H 1S|2S|3PX|3PY|3PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|9 H 1S|2S|3PX|3PY|3PZ|10 H 1S|2S|3PX|3PY|3PZ|11 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|18 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|19 H 1S|2S|3PX|3PY|3PZ|20 H 1S|2S|3PX|3PY|3PZ|21 H 1S|2S|3PX|3PY|3PZ|22 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|23 H 1S|2S|3PX|3PY|3PZ|24 H 1S|2S|3PX|3PY|3PZ|25 H 1S|2S|3PX|3PY|3PZ 1.99659 0.68256 0.76880 0.74099 0.53118 0.52675 0.22228 0.25114 0.41605 0.00267 0.00564 0.00317 0.01055 0.01451 1.99688 0.66888 0.75968 0.75515 0.54427 0.55941 0.07979 0.17322 0.41968 0.00244 0.00526 0.00257 0.01013 0.01035 1.99654 0.68566 0.69270 0.77003 0.55550 0.43003 0.08647 0.18871 0.39484 0.00351 0.00783 0.00592 0.01800 0.02012 1.99658 0.68156 0.75732 0.75778 0.56769 0.44592 0.15110 0.11074 0.41388 0.00296 0.00619 0.00515 0.01262 0.01317 1.99654 0.68160 0.74480 0.75483 0.54970 0.50051 0.22013 0.25150 0.42158 0.00271 0.00496 0.00384 0.01166 0.01161 1.99655 0.67803 0.74051 0.75805 0.55654 0.50515 0.26732 0.16272 0.43166 0.00271 0.00230 0.00600 0.01317 0.01030 0.52604 0.33016 0.00311 0.00633 0.00233 1.99652 0.68513 0.76819 0.73957 0.53490 0.48848 0.19875 0.25658 0.40584 0.00267 0.00616 0.00286 0.01023 0.01305 0.52565 0.32467 0.00320 0.00611 0.00246 0.52654 0.32567 0.00752 0.00174 0.00247 1.99655 0.67748 0.75853 0.73965 0.56338 0.51899 0.19184 0.24789 0.43907 0.00275 0.00498 0.00277 0.01008 0.01262 1.99620 0.68852 0.74450 0.72046 0.52764 0.45484 0.22121 0.14667 0.39219 0.00321 0.00266 0.00840 0.02110 0.01504 0.52544 0.31876 0.00325 0.00613 0.00234 0.52536 0.32418 0.00321 0.00606 0.00249 0.52744 0.30878 0.00774 0.00129 0.00219 1.99776 0.80077 0.79136 0.92253 0.64448 0.94200 0.36492 0.48506 0.49162 0.00425 0.00468 0.00634 0.01200 0.00633 1.99595 0.55114 0.61499 0.59660 0.08612 0.39283 0.16023 0.13597 0.08865 0.00422 0.00526 0.00442 0.01474 0.01763 1.99675 0.64590 0.71789 0.71643 0.69881 0.61133 0.39759 0.29453 0.36687 0.00578 0.00221 0.00518 0.00504 0.00439 0.52310 0.32546 0.00388 0.00407 0.00512 0.52421 0.32797 0.00371 0.00413 0.00515 0.53696 0.36436 0.00364 0.00630 0.00240 1.99666 0.64028 0.71813 0.72317 0.69880 0.63371 0.36290 0.39133 0.35080 0.00496 0.00783 0.00022 0.00257 0.00613 0.52593 0.32820 0.00425 0.00337 0.00527 0.52602 0.32822 0.00404 0.00332 0.00549 0.53018 0.33084 0.00477 0.00521 0.00238 -1.5292 2.5995 -0.0041 3.0159 -62.4365 -63.0529 -78.8404 -2.9178 -0.1214 -0.0380 5.6735 5.0570 -10.7304 -2.9178 -0.1214 -0.0380 421.9611 -138.3475 0.4540 143.8682 -44.5199 0.4784 174.7859 -80.3961 0.4689 0.3837 -2959.1157 -2161.1801 -94.2397 300.2132 -6.6192 274.1134 -5.3707 -4.9286 -3.9071 -860.7157 -623.7357 -452.3760 -2.6936 -3.2628 160.9551 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0117,.0606,.165;-2.6385,.0655,.0002;-1.9853,1.3389,-.0834;-2.7418,2.5388,.0313;-4.1437,2.4664,.2366;-4.7668,1.2488,.3015;-4.5384,-.8895,.2088;-2.0552,3.7736,-.0737;-4.7101,3.389,.3306;-5.8403,1.1897,.45;-.7029,3.7739,-.285;-.0415,2.5287,-.3964;-2.6124,4.7027,.0106;-.1401,4.6966,-.3724;1.033,2.5084,-.5719;-.6389,1.3631,-.3065;-1.8708,-1.3111,.0004;-.4818,-1.4982,.7173;.2898,-1.3001,-.0398;-.2939,-.7863,1.525;-.328,-2.5217,1.0768;-2.5487,-2.576,-.6624;-2.9878,-3.1815,.1451;-3.3433,-2.3593,-1.3818;-1.8031,-3.2236,-1.1372; 0.000000 1.383104 0.000000 2.408750 1.433621 0.000000 2.787822 2.475632 1.422998 0.000000 2.410482 2.843577 2.456015 1.418710 0.000000 1.414414 2.453707 2.809386 2.416122 1.369307 0.000000 1.087206 2.136607 3.401375 3.874591 3.379180 2.152503 0.000000 4.203663 3.754385 2.435639 1.416701 2.483238 3.723908 5.290558 0.000000 3.404899 3.930204 3.434889 2.164906 1.086665 2.141131 4.283702 2.712861 0.000000 2.167910 3.423150 3.894571 3.405342 2.134044 1.085382 2.465047 4.612744 2.475597 0.000000 4.993957 4.192888 2.759426 2.404725 3.717626 4.820307 6.058251 1.368777 4.072468 5.797564 0.000000 4.708473 3.601292 2.300477 2.733982 4.151231 4.945075 5.680909 2.389363 4.802580 6.011333 1.414343 0.000000 4.850899 4.637336 3.423042 2.167930 2.719731 4.081100 5.917929 1.086714 2.495700 4.791010 2.143951 3.391443 0.000000 6.063875 5.275216 3.842170 3.404081 4.623100 5.809239 7.133522 2.146836 4.805069 6.742919 1.084296 2.170269 2.501801 0.000000 5.655470 4.446929 3.273662 3.822813 5.239635 5.998931 6.572356 3.374355 5.879929 7.072927 2.167300 1.088927 4.294630 2.490857 0.000000 3.646257 2.403434 1.365059 2.432787 3.714290 4.174024 4.532793 2.805433 4.591847 5.259056 2.411712 1.312831 3.892104 3.371214 2.043837 0.000000 2.547972 1.576161 2.653824 3.947264 4.414885 3.876906 2.708685 5.088526 5.501039 4.713082 5.225197 4.271773 6.059389 6.263117 4.832011 2.960301 0.000000 3.898066 2.758711 3.309211 4.677036 5.418301 5.106815 4.133330 5.558092 6.473958 6.000797 5.371057 4.201205 6.594699 6.299163 4.473206 3.043008 1.574259 0.000000 4.516262 3.231310 3.484663 4.892093 5.823995 5.672966 4.851954 5.589519 6.864701 6.634572 5.176046 3.859671 6.667830 6.021333 3.916703 2.833118 2.161006 1.099018 0.000000 4.048349 2.923682 3.156700 4.390817 5.202011 5.064134 4.445063 5.143017 6.193756 5.985257 4.923309 3.839928 6.148056 5.803976 4.124690 2.844915 2.255374 1.092922 1.747400 0.000000 4.590106 3.631910 4.358568 5.703257 6.336083 5.875383 4.598277 6.628487 7.395627 6.674772 6.452081 5.268679 7.651621 7.364718 5.465576 4.135443 2.237059 1.095654 1.766544 1.792645 0.000000 3.126755 2.724770 3.997400 5.165189 5.364497 4.525253 2.749870 6.395834 6.421731 5.123708 6.623494 5.693418 7.310045 7.666552 6.219974 4.392147 1.580736 2.708733 3.173722 3.615513 2.821196 0.000000 3.400006 3.268920 4.635875 5.726672 5.765694 4.776703 2.767934 7.020691 6.795006 5.228507 7.333707 6.448286 7.894299 8.392930 7.003987 5.135660 2.183333 3.072584 3.783663 3.859819 2.894427 1.100629 0.000000 2.948827 2.878591 4.148140 5.133248 5.152455 4.228302 2.473568 6.401764 6.151744 4.710225 6.766942 5.980477 7.235051 7.814451 6.595678 4.725160 2.275369 3.651808 4.015230 4.496974 3.893934 1.093528 1.770188 0.000000 4.166514 3.579030 4.686175 5.954094 6.304111 5.554792 3.839451 7.081982 7.370991 6.188345 7.134526 6.061425 8.049784 8.128941 6.420167 4.804525 2.226260 2.856905 3.046956 3.912208 2.751403 1.095825 1.746294 1.782973 0.000000 1.2531262 0.7085916 0.4727494 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 6 1 1 1 6 1 1 1 -0.008523120 0.004458108 -0.000151233 0.036732098 -0.044466604 0.000270309 0.040342346 0.027724615 0.000237531 -0.001615278 0.005312613 -0.000041031 -0.003741810 0.005184979 -0.000024183 -0.011789129 -0.000978546 0.000116544 0.005953284 0.007637323 -0.000055948 -0.002938356 0.003169128 -0.000016133 0.003806043 -0.008093833 0.000006357 0.009386490 0.001897400 0.000009908 0.007698445 0.011535280 0.000018248 -0.050594003 -0.037927370 0.000047036 0.005434318 -0.007332146 -0.000019220 -0.005658482 -0.007439931 0.000014396 -0.009485092 -0.009103185 -0.000018853 -0.001726966 0.039722566 -0.000564562 0.003142431 0.002942885 -0.001787856 -0.048899076 -0.018543250 -0.000359476 0.007411890 0.009166637 -0.009195194 0.007248901 0.009616692 0.009236328 0.007186114 -0.017756501 0.000446987 0.027972958 0.042227468 0.002782109 -0.013083208 -0.003400818 0.012684217 -0.012392913 -0.001873110 -0.013395871 0.008132113 -0.013680399 -0.000240408 0.050594003 0.016129125 7 -505.868278593 PT91601.900S 2021-03-25T14:04:24.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 C C C C C C H C H H C C H H H N B C H H H C H H H -0.172889 0.012264 0.144149 0.077331 -0.155979 -0.131011 0.132039 -0.108917 0.137900 0.136052 -0.166605 0.057368 0.144083 0.138692 0.152561 -0.474105 0.331242 -0.468687 0.138371 0.134819 0.086329 -0.537497 0.132973 0.132906 0.126609 -0.00000 -10.30631 -10.30527 -10.30338 -10.30180 -10.27825 -10.25451 -10.24643 -6.84076 -1.04506 -0.94956 -0.90711 -0.84983 -0.84043 -0.79440 -0.76038 -0.73661 -0.72138 -0.69200 -0.61612 -0.60338 -0.59495 -0.54195 -0.53388 -0.51153 -0.50475 -0.49815 -0.49488 -0.48634 -0.47770 -0.45682 -0.45318 -0.45038 -0.42862 -0.42782 -0.39037 -0.38180 -0.37493 -0.33145 -0.32306 -0.30228 0.00669 0.05138 0.05971 0.12253 0.17423 0.17692 0.19198 0.20370 0.23349 0.23810 0.24635 0.25311 0.25449 0.26226 0.26578 0.27988 0.28860 0.29621 0.32576 0.33570 0.34872 0.38138 0.39109 0.39554 0.40200 0.41476 0.42408 0.48016 0.53027 0.53185 0.55337 0.57135 0.58758 0.58811 0.60212 0.61529 0.63077 0.63559 0.64370 0.66676 0.67260 0.68003 0.68630 0.69554 0.69982 0.70880 0.71236 0.71578 0.73471 0.74601 0.74907 0.76196 0.76747 0.77194 0.79532 0.82786 0.84837 0.87075 0.88290 0.90222 0.90695 0.91388 0.92534 0.93997 0.95204 0.95568 0.96837 0.98022 0.99496 1.00856 1.01814 1.02925 1.03747 1.04741 1.05056 1.06553 1.07478 1.08871 1.13233 1.15225 1.16345 1.17336 1.19627 1.22837 1.25003 1.27694 1.30957 1.32848 1.34563 1.37083 1.39110 1.41371 1.42515 1.43366 1.44295 1.47102 1.49471 1.50199 1.50664 1.54250 1.55750 1.57499 1.60278 1.61798 1.65362 1.68198 1.70895 1.73900 1.76915 1.80483 1.82117 1.86184 1.87248 1.89079 1.90904 1.93549 1.95087 1.97262 1.98030 1.99510 2.00992 2.03987 2.04374 2.06234 2.08573 2.11426 2.13073 2.14327 2.15227 2.17179 2.18050 2.20341 2.21456 2.22194 2.23054 2.23509 2.26218 2.27697 2.31284 2.33862 2.34600 2.35944 2.37951 2.38829 2.40006 2.42850 2.44464 2.47137 2.47777 2.48730 2.50783 2.51492 2.53894 2.55335 2.57470 2.58946 2.60085 2.61333 2.63845 2.64645 2.67494 2.68180 2.70001 2.73490 2.74027 2.76416 2.77942 2.80070 2.81698 2.82399 2.83749 2.85968 2.88705 2.94322 2.95579 2.97721 2.99055 3.03650 3.10016 3.11463 3.14730 3.23528 3.28902 3.29970 3.32615 3.33689 3.34203 3.39905 3.43788 3.49173 3.50858 3.54556 3.55957 3.56758 3.58246 3.88711 3.93834 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.38180 -0.37493 -0.33145 -0.32306 -0.30228 0.00669 0.05138 0.05971 0.12253 0.17423 0.01291 0.00784 0.00093 -0.00105 0.00340 0.00602 -0.00628 0.01223 -0.01507 -0.01587 -0.02228 -0.01767 -0.00376 0.00335 -0.00824 -0.01366 0.01623 -0.03402 0.03893 0.02869 -0.11998 -0.04900 0.01242 -0.02644 0.01155 -0.04250 -0.00856 -0.05466 0.03426 -0.02561 0.09074 0.00260 -0.03770 0.00951 -0.00421 0.01337 -0.00098 0.01719 -0.00958 -0.06191 0.00726 0.09537 -0.01819 -0.22861 0.17231 -0.19348 -0.19545 -0.17050 0.00756 0.21262 -0.08266 -0.02632 0.05162 0.00039 -0.02427 -0.04723 0.03321 -0.04474 0.06205 0.24491 -0.06298 0.00335 0.02682 -0.02567 0.02303 -0.02810 -0.05777 0.00492 -0.05329 -0.01763 -0.00569 -0.02469 -0.00292 0.00703 -0.01566 -0.00848 0.02586 -0.00122 0.04885 -0.21257 0.00429 0.06051 -0.01760 -0.16664 0.13880 -0.21276 -0.27006 -0.22943 -0.00484 0.36207 0.00063 -0.00105 -0.00031 -0.00163 -0.00357 -0.00461 0.00237 -0.00152 -0.00322 0.00104 -0.00001 0.00200 -0.00070 0.00396 0.01541 0.01649 -0.00670 0.00007 0.02089 -0.00499 0.00127 0.00208 -0.00067 -0.00724 -0.00561 -0.00613 0.01144 0.00092 -0.00862 -0.01005 -0.00203 -0.00183 -0.00002 0.00052 0.00153 0.00178 -0.00088 -0.00027 0.00284 0.00617 -0.01616 0.00023 0.00674 -0.00188 -0.00017 -0.00231 0.00316 -0.00337 0.00563 -0.01047 -0.04136 0.00029 -0.00855 -0.00133 0.00335 0.00140 -0.00187 0.00043 -0.00075 -0.00340 0.07970 -0.00073 0.01744 0.00172 -0.00508 -0.00208 -0.00246 0.00112 -0.00302 0.01350 0.18381 0.06098 0.00423 -0.00171 0.03472 0.03073 -0.00318 0.01892 0.02258 -0.03060 -0.27405 0.02248 0.13630 -0.01381 0.02535 0.00334 -0.00424 -0.00715 0.01892 -0.03225 -0.03365 0.05996 -0.01494 -0.00933 0.28375 0.21497 -0.01216 0.05479 0.23951 -0.18070 0.16546 0.00399 0.05244 0.01210 -0.02598 -0.01931 0.05030 -0.04676 0.06874 0.01294 0.03723 0.04003 0.07724 -0.00185 0.01370 0.01901 -0.00609 0.04292 -0.01618 0.01199 -0.05937 0.02420 0.03214 -0.01485 0.01104 -0.00453 -0.04457 -0.05644 -0.02314 0.01935 -0.01644 0.03547 -0.01525 -0.00021 0.20494 0.24985 0.01170 0.05212 0.33437 -0.26950 0.00184 0.00016 -0.00033 -0.00289 0.00195 -0.00103 -0.00425 -0.00207 0.00043 0.00180 -0.00016 -0.00275 0.00091 0.01286 -0.00730 0.00936 0.01580 0.01609 -0.00901 -0.00988 -0.00075 0.00599 -0.00043 0.00860 0.00323 -0.00353 0.02057 -0.01375 0.00411 -0.00664 -0.00236 -0.00794 0.00165 0.00214 -0.00392 -0.00438 0.00755 -0.00903 0.01217 -0.00613 -0.00638 0.00473 0.00739 0.00037 0.00296 0.00225 -0.00050 0.00379 -0.00863 0.00949 0.00380 -0.00791 -0.02326 0.00108 -0.00487 -0.00445 0.00330 -0.00946 0.01362 -0.02054 -0.00152 0.01813 0.05739 -0.00323 0.01160 0.01059 -0.01121 0.02066 -0.03533 0.05849 0.06660 -0.01327 0.14769 0.03954 0.00555 -0.00884 0.06101 -0.02361 -0.00561 -0.01421 0.11901 -0.05009 -0.13091 0.00833 -0.02598 -0.01844 0.01488 -0.03088 0.03543 -0.00662 -0.02829 0.10731 -0.01800 0.26514 0.06595 -0.01563 0.33779 -0.07793 -0.13184 0.00307 -0.07838 0.02332 0.05481 -0.00041 0.02768 0.03554 -0.00180 0.10039 -0.07296 -0.01077 0.07500 0.00294 -0.07348 0.02680 -0.00399 -0.02539 0.05850 -0.08365 0.01881 -0.01586 0.02446 0.00593 0.04026 -0.00276 -0.00848 -0.01058 -0.00784 -0.00763 -0.02549 -0.01618 -0.02470 0.06999 0.01593 0.17732 0.04691 -0.02597 0.38761 -0.05775 -0.17321 0.00346 -0.00000 -0.00137 -0.00053 0.00098 0.00371 0.00521 -0.00101 -0.00448 -0.00488 0.00226 0.00029 0.00710 -0.00047 -0.00447 -0.01348 -0.01697 0.00087 0.01969 0.00682 0.01287 0.00077 -0.00484 -0.00325 0.00887 -0.01095 -0.01048 -0.00932 -0.01474 -0.02316 0.01105 -0.00874 -0.00083 0.00257 -0.00081 -0.00129 -0.00164 -0.00106 0.00452 -0.00077 0.00006 -0.00115 -0.00039 0.02637 0.00017 -0.00018 -0.00108 -0.00144 -0.00244 -0.00301 -0.00068 -0.00277 0.00300 0.01938 -0.00100 0.00250 0.00220 -0.00118 0.00336 -0.00426 -0.00741 0.00387 -0.00589 -0.03804 0.00168 -0.00531 -0.00503 0.00227 -0.00532 0.00561 0.01215 0.02226 0.00040 -0.10259 0.04325 -0.01002 -0.00046 -0.03082 -0.03483 -0.02116 -0.00676 -0.05947 0.01963 0.16205 -0.00734 0.01361 0.00736 -0.00376 0.00727 -0.01068 0.01932 0.00421 -0.09136 0.03036 0.26476 -0.02668 0.01195 -0.21525 -0.20916 -0.18875 0.04249 0.05337 -0.01654 -0.16494 0.00658 -0.01263 -0.01307 0.00541 -0.05328 0.08161 0.13445 0.07581 -0.02889 -0.01238 0.03236 -0.01102 -0.00352 -0.02430 -0.05375 -0.02402 0.04924 -0.02578 0.00747 0.17338 -0.00588 0.01159 0.01294 -0.00332 0.04551 -0.02833 -0.04338 -0.00617 -0.05300 0.01164 0.19148 -0.01470 0.01633 -0.25184 -0.30166 -0.29049 0.04978 -0.00023 0.00036 0.00031 -0.00146 -0.00405 0.00478 -0.00211 0.00050 0.00469 0.00392 -0.00021 -0.00105 -0.00128 0.00559 0.01526 -0.01835 0.00840 -0.00158 -0.01869 -0.00932 0.00236 -0.00972 -0.00097 -0.00710 0.00418 -0.01092 -0.02164 0.01470 0.01287 -0.00724 0.00442 -0.00206 0.00533 0.00095 0.00183 -0.00365 0.00233 -0.00161 -0.00036 -0.00616 -0.00492 -0.00014 0.00488 -0.00136 0.00118 -0.00094 -0.00375 0.00310 0.00256 -0.01074 -0.00499 0.00001 -0.01231 0.00055 -0.00003 0.00049 -0.00041 0.00104 -0.00117 -0.01595 0.00825 0.00025 0.02534 -0.00123 0.00041 -0.00124 0.00001 -0.00287 0.00386 0.02556 0.00821 -0.02259 0.07118 -0.00279 -0.04031 0.03480 0.00057 0.01108 0.04098 -0.04490 0.03405 -0.00619 -0.03364 0.00175 0.00217 -0.00324 0.00115 -0.00004 -0.00736 0.05605 -0.00493 -0.02007 0.00326 -0.01048 -0.27853 0.25262 -0.01587 0.08626 0.26307 0.13189 0.05935 -0.00986 0.10544 -0.00412 -0.00234 -0.00455 0.00238 0.01490 -0.02300 0.25825 0.02408 -0.02519 0.05381 0.00043 -0.03539 0.03762 0.00413 0.01731 0.06290 -0.10513 0.01428 -0.00341 -0.04627 0.00266 0.00199 -0.00350 0.00231 -0.02022 -0.00006 0.19967 -0.00562 -0.01429 0.00206 -0.00598 -0.21023 0.29319 -0.04631 0.13722 0.43987 0.19556 -0.00081 0.00095 0.00007 -0.00325 -0.00010 -0.00080 0.00410 0.00326 0.00167 -0.00088 0.00065 -0.00343 0.00030 0.01389 0.00192 0.00400 -0.01717 -0.01409 -0.00369 0.00917 0.00140 -0.00270 -0.00126 0.00921 0.00749 0.00479 -0.01310 -0.00220 0.01209 0.00766 -0.00357 -0.00231 0.00269 0.00214 0.00030 0.00024 -0.00225 -0.00323 0.00109 0.00771 -0.00473 -0.00029 0.00827 0.00092 0.00146 0.00059 -0.00172 -0.00069 0.00115 0.00894 -0.01407 -0.00318 0.00137 -0.00043 -0.00024 -0.00219 0.00239 -0.00580 0.01129 -0.01984 0.03215 0.00606 -0.00069 0.00085 -0.00059 0.00321 -0.00491 0.01155 -0.02419 0.03129 0.08643 0.03517 -0.01721 -0.03187 -0.02348 -0.01681 0.02444 0.02422 -0.03912 -0.09925 -0.11003 -0.00753 0.04530 0.00250 0.00646 -0.00376 0.00087 -0.02070 0.02946 -0.00854 -0.02672 0.03945 0.00478 -0.23346 -0.17538 -0.14974 0.20552 0.10308 -0.20000 -0.18672 0.06825 0.02728 -0.04137 0.00237 0.01243 0.03175 -0.03474 0.04772 -0.12635 0.35423 0.03717 0.02378 -0.03280 -0.02209 -0.01367 -0.01397 0.04020 0.01195 -0.03236 -0.18615 -0.06003 -0.02256 0.01159 0.00584 -0.00453 -0.01117 0.01831 -0.04763 0.07516 -0.02554 -0.01654 0.02907 0.00697 -0.17248 -0.13906 -0.17624 0.29723 0.10887 -0.32699 -0.30886 0.00094 -0.00051 0.00022 0.00156 -0.00017 0.00035 0.00148 0.00218 -0.00196 -0.00139 0.00032 0.00213 -0.00019 -0.00508 -0.00214 0.00175 -0.00477 -0.00474 0.00582 0.01126 0.00062 -0.00311 0.00047 0.00644 -0.01578 0.02055 0.00841 0.01250 0.01497 -0.00423 -0.00490 -0.00272 0.00230 -0.00041 -0.00096 0.00042 0.00021 -0.00121 0.00261 -0.01117 -0.00207 -0.00039 0.00287 0.00081 -0.00211 0.00292 0.00105 0.00253 0.00096 -0.00241 -0.04955 0.01060 0.02840 -0.00359 0.00256 -0.00403 0.00389 -0.00991 0.01597 -0.03230 -0.07837 0.00953 0.04296 -0.00764 0.00926 0.00059 -0.00840 0.00903 0.02225 -0.42564 -0.00274 -0.00052 0.00025 -0.00068 0.00043 -0.00091 -0.00068 -0.00066 -0.00061 0.00187 0.00056 0.00048 0.00005 0.00004 -0.00008 -0.00022 0.00017 -0.00079 0.00148 0.00231 0.00029 0.00241 -0.00039 -0.00564 0.00426 -0.00653 -0.00753 -0.00563 -0.00046 0.01056 0.00801 -0.00196 -0.00553 0.00049 -0.00116 -0.00153 0.00130 -0.00220 0.00232 -0.01329 -0.01453 0.00423 0.01640 -0.00128 0.00264 0.00396 -0.00376 0.00585 -0.00552 0.02156 0.03416 -0.04489 0.02472 0.00101 0.02742 -0.04083 -0.01343 0.02997 0.01936 -0.05362 0.04766 -0.01897 -0.05471 0.00350 -0.00672 -0.00501 0.00308 -0.00588 0.00236 0.07811 0.02758 -0.19512 -0.00639 0.00637 0.18686 -0.24747 -0.09604 0.21775 0.10330 -0.16925 -0.07953 0.01709 -0.06457 -0.00032 0.00237 0.00480 -0.00839 -0.00387 -0.02087 0.21246 0.00000 -0.02505 0.01018 0.00184 0.01991 -0.04547 -0.01780 0.04579 0.05273 -0.15897 0.04499 -0.01388 -0.00569 0.00169 -0.00338 0.00080 -0.00018 0.00545 -0.00131 0.20980 0.02190 -0.13436 -0.00284 0.00932 0.13469 -0.28751 -0.14894 0.31206 0.19715 -0.25523 -0.00003 0.00133 0.00168 0.00373 -0.00212 -0.00095 -0.00627 -0.00055 -0.00090 -0.00241 0.00149 -0.00457 -0.00126 -0.01370 0.00800 0.00405 0.02211 0.00336 0.00192 0.01237 -0.00035 0.00366 -0.00196 -0.00897 -0.00022 0.00054 0.01075 0.01093 0.01236 -0.00063 -0.00107 -0.00116 0.00457 -0.00231 0.00174 0.00103 0.00316 0.00117 -0.00121 0.00441 -0.00056 0.00096 0.00983 -0.00175 0.00041 0.00016 0.00140 0.00178 0.00100 0.00875 0.03101 0.00414 -0.04945 0.00124 -0.00179 0.00045 -0.00027 0.00368 -0.00254 -0.02651 0.03468 0.00227 -0.06058 0.00201 -0.00349 0.00052 0.00130 0.01395 -0.00088 -0.43831 0.00072 -0.00011 0.00031 -0.00005 -0.00097 0.00123 -0.00019 0.00077 0.00124 0.00030 -0.00001 -0.00011 0.00072 -0.00003 0.00012 -0.00006 -0.00009 0.00025 -0.00056 -0.00313 -0.00018 -0.00066 0.00031 -0.00029 -0.00704 0.00818 -0.00075 0.00383 0.01168 0.00496 -0.04919 -0.02092 0.01346 0.00024 -0.00121 -0.00194 0.00337 -0.00582 0.01059 -0.03771 -0.05813 -0.02196 0.00973 0.00079 -0.00066 -0.00500 0.01434 -0.02767 0.07665 -0.41618 -0.00091 -0.00024 0.00016 -0.00080 -0.00064 -0.00071 0.00102 0.00075 -0.00146 0.00131 -0.00196 0.00002 0.00068 0.00007 0.00025 0.00003 -0.00017 -0.00039 0.00065 0.00053 -0.00015 0.00099 0.00000 -0.00581 -0.00442 -0.00519 0.00727 0.00435 -0.00835 -0.00956 0.01041 -0.00122 0.02089 -0.00074 -0.00038 -0.00109 0.00084 -0.00262 0.00444 -0.01478 -0.02390 0.00204 -0.04661 0.00154 0.00036 0.00139 -0.00148 0.00335 -0.00769 0.02265 -0.02299 -0.01234 -0.08268 -0.03259 0.02201 0.02140 0.04280 0.00074 -0.00081 0.06994 0.05904 -0.00319 0.15262 -0.00501 0.00041 -0.00263 0.00076 -0.00499 0.00274 0.04952 0.03684 -0.15587 -0.00147 -0.22257 0.14764 0.12933 0.27440 -0.01613 0.01137 0.22636 -0.02822 0.01107 -0.09794 0.00426 0.00530 0.01673 -0.01535 0.04463 -0.07474 0.27699 -0.03811 -0.00759 -0.09283 -0.02351 0.01733 0.02812 0.05927 -0.00014 -0.01478 0.12260 0.02237 -0.00521 0.07330 -0.00308 -0.00306 -0.01145 0.00489 -0.02328 0.01070 0.09124 0.02879 -0.10786 0.00379 -0.16868 0.12241 0.15426 0.38399 -0.04427 -0.02388 0.38220 -0.00009 -0.00238 -0.00096 0.00117 0.00264 -0.00520 0.00013 0.00467 0.00221 0.00055 -0.00133 0.00811 -0.00034 -0.00365 -0.00976 0.01794 -0.00005 -0.01710 -0.00806 0.00316 -0.00055 0.00027 -0.00064 0.00799 0.00258 -0.00831 0.00800 0.01141 0.00735 0.01278 0.00016 0.00054 0.00020 -0.00058 -0.00156 0.00309 -0.00022 -0.00229 -0.00209 0.00417 0.00031 0.00091 0.00688 0.00097 0.00062 -0.00138 0.00140 0.00158 0.00186 -0.00746 -0.00790 0.00006 -0.02030 0.00094 0.00005 0.00130 -0.00045 0.00196 -0.00165 -0.01360 0.01878 0.00113 0.05147 -0.00246 0.00023 -0.00239 -0.00061 -0.00285 -0.00020 0.02765 0.02500 -0.01070 0.03427 -0.03779 -0.01707 0.03366 -0.03160 -0.02891 -0.02117 0.00856 -0.05797 -0.00431 -0.16747 0.00832 -0.00071 0.00261 -0.00070 0.00723 -0.00265 0.00989 0.00394 0.02607 -0.01904 -0.22853 -0.10670 0.19229 -0.18996 -0.20454 -0.08852 -0.23160 0.00927 -0.00837 0.03745 -0.00340 -0.00865 -0.02383 0.01125 -0.04452 0.02654 0.16785 0.01505 0.00369 0.03145 -0.02622 -0.00883 0.04353 -0.04885 -0.01543 -0.05530 0.07687 0.01288 -0.00967 0.01489 0.00042 0.00090 -0.00373 0.00404 -0.00829 0.01952 -0.01537 0.00265 0.01871 -0.01490 -0.15941 -0.08734 0.19588 -0.24501 -0.26546 -0.13572 -0.37792 -0.00051 0.00043 -0.00111 -0.00111 -0.00027 -0.00101 0.00137 0.00173 0.00060 0.00404 -0.00187 -0.00018 -0.00381 0.00411 0.00201 0.00481 -0.00452 -0.00479 -0.00304 -0.00861 0.00090 -0.01193 -0.00314 -0.00749 0.01443 0.01839 0.01876 -0.01370 -0.00935 0.00334 0.00851 -0.00247 0.02352 -0.00019 0.00063 0.00038 0.00003 -0.00252 0.00199 -0.01063 0.00576 -0.00251 0.01558 -0.00183 0.00240 0.00266 0.00311 -0.00300 -0.00085 0.00174 0.01100 -0.00376 -0.05770 0.00232 -0.00378 -0.00159 0.00227 -0.00290 0.00565 -0.02280 0.00874 -0.00246 -0.07720 0.00307 -0.00500 -0.00665 0.00929 -0.01167 0.03082 -0.41173 0.00106 -0.00109 0.00013 0.00003 0.00060 -0.00140 -0.00049 0.00099 0.00112 0.00170 0.00034 -0.00015 0.00037 -0.00001 -0.00005 -0.00017 0.00009 -0.00031 0.00039 -0.00090 0.00060 -0.00457 -0.00008 0.00006 0.00465 -0.00800 -0.00355 0.00849 0.00553 -0.00816 0.01412 0.00519 0.05235 -0.00217 0.00068 -0.00064 0.00065 -0.00189 0.00418 -0.03004 0.02470 0.00497 0.08183 -0.00317 0.00173 -0.00102 0.00325 -0.00651 0.03285 -0.32948 -0.00070 -0.00048 -0.00222 -0.00081 0.00056 0.00075 0.00157 0.00002 0.00005 0.00040 0.00015 -0.00009 0.00042 -0.00000 0.00000 -0.00002 0.00000 -0.00008 0.00017 -0.00171 0.00088 -0.00365 -0.00002 -0.00552 0.00362 0.00457 0.01015 -0.00036 0.00083 0.01140 0.03947 -0.01330 0.09506 -0.00318 0.00057 -0.00125 0.00189 -0.00433 0.00590 -0.02496 0.04067 -0.01585 0.10235 -0.00348 -0.00019 -0.00308 0.00657 -0.01477 0.02991 -0.28358 -0.00070 0.00031 -0.00137 -0.00088 -0.00043 0.00105 -0.00104 -0.00142 -0.00039 -0.00349 -0.00090 -0.00001 -0.00244 0.00014 -0.00003 0.00001 0.00000 0.00012 0.00005 0.00037 0.00029 0.00041 -0.00006 -0.00558 -0.00244 0.00687 -0.00670 -0.00752 -0.00377 -0.01002 0.02999 -0.00025 0.06362 -0.00260 -0.00036 -0.00303 0.00189 -0.00462 0.00410 -0.00134 -0.06485 0.00081 -0.14043 0.00545 0.00096 0.00687 -0.00594 0.00961 -0.01151 0.00446 -0.07226 0.05454 -0.25373 0.00868 -0.03737 -0.03535 -0.01557 0.04433 0.01426 0.05238 0.14315 -0.00632 0.39549 -0.01527 0.00370 -0.00727 0.00515 -0.01655 0.01130 -0.00117 -0.00638 0.15705 0.04518 0.00018 -0.20086 -0.21912 -0.09134 0.22233 0.15341 0.15087 -0.13137 -0.00196 -0.18775 0.01193 0.00719 0.02612 -0.00621 0.05798 -0.03560 0.02055 -0.03769 0.03559 -0.21167 0.00688 -0.02736 -0.03653 -0.01970 0.04484 0.02868 0.01576 0.10438 -0.00384 0.28780 -0.01006 0.00957 0.00620 0.00192 0.00610 0.00707 0.00899 -0.00752 0.10938 0.04187 0.00442 -0.15357 -0.22864 -0.09798 0.27601 0.19170 0.20551 -0.00576 0.00242 -0.01404 0.00430 -0.00014 -0.00250 0.00525 0.00229 -0.00103 0.00325 -0.00010 -0.00563 -0.00397 -0.01320 -0.00035 0.00925 -0.01940 -0.00701 0.00167 -0.01176 0.00133 0.00584 0.00134 -0.00776 -0.01241 -0.00276 -0.01277 -0.00296 -0.00105 -0.00356 -0.00234 -0.00132 -0.00455 -0.00208 0.00019 0.00272 -0.00430 0.00125 -0.00352 0.00403 -0.00776 0.00321 -0.01056 -0.00094 -0.00166 -0.00022 -0.00247 0.00059 -0.00164 0.00262 0.00888 0.00522 0.00393 0.00080 0.00134 -0.00062 0.00418 0.00286 -0.00356 0.00858 0.00059 -0.00800 -0.00378 0.00381 -0.00890 0.00069 0.01099 0.00888 0.00915 0.01132 -0.14930 -0.22378 0.04982 -0.00334 -0.07058 -0.09042 0.06160 -0.15398 0.15558 -0.03789 0.27763 -0.10243 -0.08473 0.00810 -0.04549 -0.03476 0.02912 -0.06052 0.07860 -0.04494 -0.02053 -0.15230 -0.00320 -0.00420 0.01535 0.14854 -0.10669 0.25340 -0.24088 0.03325 0.01873 -0.00985 -0.07982 -0.03768 0.02962 0.00366 -0.16844 -0.11426 -0.00950 -0.08053 -0.05388 -0.05305 0.01930 -0.00136 -0.00289 -0.05216 0.06971 -0.13320 0.29942 -0.18205 0.09323 -0.02542 -0.06307 0.00801 -0.01229 -0.01903 0.05727 -0.06540 0.11462 -0.10005 -0.00982 -0.02753 0.01335 -0.00911 0.04588 0.16482 -0.16803 0.38414 -0.28855 0.06606 -0.00656 -0.00106 0.00221 -0.00015 -0.00024 -0.00028 0.00083 -0.00014 0.00093 -0.00174 -0.00824 -0.00551 0.00218 0.00086 -0.00677 -0.00577 0.00332 -0.00264 -0.00655 0.00595 -0.00486 0.00897 0.00276 -0.00046 0.01159 0.01034 -0.00121 0.00485 0.01288 -0.01002 -0.01183 -0.01053 0.00448 -0.00085 -0.00192 -0.00116 -0.00215 0.00138 -0.00698 0.00540 -0.01665 0.00804 0.00451 -0.00051 0.00284 0.00111 0.00075 -0.00100 0.00426 -0.00478 0.01264 0.02521 -0.01307 0.00137 0.00895 0.00572 -0.00072 0.00524 0.01605 -0.03112 -0.02570 -0.04829 0.02466 -0.00579 -0.01339 -0.00960 -0.00948 -0.01244 -0.02386 0.03672 0.18649 0.25578 -0.01247 0.00350 0.07636 0.03873 -0.00560 0.02266 0.02303 -0.01642 -0.09732 0.01101 0.07757 -0.01003 -0.00008 0.00172 -0.00425 -0.00671 -0.01368 -0.01348 0.02255 0.10355 -0.03224 -0.00100 0.00510 -0.00749 0.00427 -0.02976 0.00377 -0.00847 -0.03136 -0.09461 0.07621 0.00630 -0.06211 -0.04880 0.05137 -0.05428 -0.19728 0.45187 0.10574 0.14858 0.00553 -0.00922 0.06407 0.03744 -0.05230 0.02448 0.06211 0.00816 -0.06122 0.00298 0.01787 -0.00174 -0.00889 -0.01451 0.00903 0.00236 0.01969 -0.01449 0.00988 0.04486 -0.01479 -0.00472 0.00640 0.01417 -0.01718 -0.04386 -0.05932 -0.01883 -0.00219 0.00208 0.00324 -0.00051 -0.00016 -0.00392 0.00233 -0.00864 0.00619 -0.00102 -0.00606 -0.00425 -0.00044 0.00003 -0.00312 -0.00669 0.00546 -0.01298 0.01367 -0.00353 -0.00582 0.00408 0.00464 -0.00044 0.00097 0.00092 -0.00018 0.00044 -0.00245 0.00053 -0.00382 -0.00342 0.00495 -0.00047 0.00134 0.00591 -0.00438 0.00930 -0.01175 0.00298 -0.00467 0.00425 0.00230 -0.00041 0.00084 0.00024 -0.00184 0.00251 -0.00619 0.00362 0.05556 0.05420 0.02560 -0.00102 0.03203 0.04123 -0.02687 0.06331 -0.06871 0.01253 0.04770 0.05768 -0.01735 0.00176 0.03661 0.09397 -0.06160 0.14054 -0.22110 -0.11122 0.00248 0.00419 -0.00081 0.00023 0.00101 0.00197 -0.00110 0.00446 -0.00307 0.00107 -0.00345 -0.00050 -0.00099 -0.00020 -0.00064 -0.00104 -0.00003 -0.00119 0.00069 -0.00014 0.00289 0.00466 0.00034 0.00008 0.00134 0.00177 -0.00078 0.00283 -0.00274 0.00083 -0.03407 0.06980 0.03047 -0.00575 0.00322 -0.01729 0.01021 -0.04019 0.02391 -0.00795 -0.04009 0.09143 0.01334 0.00030 0.00551 -0.03764 0.03956 -0.03549 0.15922 -0.13585 0.00356 0.00536 -0.00072 0.00004 0.00093 -0.00049 0.00027 -0.00125 0.00089 -0.00001 -0.00127 -0.00189 -0.00058 0.00035 -0.00041 -0.00015 0.00024 0.00197 0.00070 -0.00010 0.00156 -0.00047 -0.00074 0.00006 0.00021 -0.00001 0.00041 -0.00165 0.00048 -0.00048 0.08195 0.01245 -0.05814 0.00611 -0.00255 -0.01545 0.01495 -0.02388 0.05112 -0.01635 0.08994 0.01906 -0.09173 0.01159 -0.00834 -0.03886 0.05184 -0.04070 0.19746 -0.22689 0.00425 0.00517 -0.00017 0.00018 0.00161 0.00075 0.00081 -0.00080 0.00291 -0.00159 0.00160 0.00096 -0.00095 0.00005 0.00008 -0.00021 0.00004 -0.00012 -0.00010 0.00113 -0.00053 0.00188 0.00023 -0.00015 0.00010 -0.00058 0.00016 -0.00143 0.00132 -0.00019 0.01403 -0.02418 -0.00599 0.00139 -0.01192 -0.00603 0.00159 -0.00282 -0.01161 -0.02348 -0.02711 0.04635 0.01030 -0.00465 0.02370 0.01230 -0.01007 -0.00234 0.01613 0.02387 0.00029 0.15152 0.01002 0.00610 0.02911 0.02040 0.00417 0.01919 0.00171 -0.03911 -0.19686 0.18060 0.04587 -0.00974 0.07400 0.02635 -0.00815 0.01232 0.02635 -0.03877 -0.01290 0.10283 0.01683 0.00786 -0.00238 -0.00755 0.02142 -0.01037 0.00426 -0.02097 -0.04994 0.09285 0.02736 -0.00024 0.05956 0.04595 0.00641 0.06265 0.14989 0.36248 0.00458 0.07989 0.00237 0.00918 0.00956 0.00937 0.03283 0.01757 0.03407 -0.08135 -0.11485 0.11211 0.03988 0.00084 0.04982 0.02983 0.02100 0.05243 0.05257 -0.14625 -0.00853 0.04771 0.00091 0.01428 -0.01258 0.01639 0.05470 0.03161 -0.05387 -0.08595 -0.00154 -0.00208 0.00010 -0.00035 0.00069 0.00334 -0.00325 0.00530 -0.00548 0.00171 -0.00925 -0.00346 0.00181 -0.00073 0.00132 0.00192 -0.00216 0.00424 -0.00390 0.00281 -0.00181 0.00481 0.00033 -0.00024 0.00319 0.00702 -0.00590 0.01356 -0.01472 0.00401 -0.00475 -0.00532 0.00107 -0.00061 0.00056 0.00130 -0.00134 0.00074 0.00150 -0.00228 -0.00478 0.00139 0.00167 -0.00002 -0.00084 -0.00524 0.00415 -0.01090 0.01269 -0.00076 0.05910 -0.03608 -0.00715 0.00485 -0.03158 -0.03899 0.02963 -0.06685 0.06541 -0.01220 0.06346 -0.04136 -0.00873 0.00487 -0.03835 -0.09448 0.06413 -0.17252 0.21287 -0.24637 0.00098 0.00258 0.00010 0.00017 0.00028 0.00079 -0.00051 0.00175 -0.00178 0.00064 -0.00319 0.00327 0.00087 -0.00035 0.00153 0.00184 -0.00219 0.00301 -0.00307 0.00020 -0.00306 0.00382 0.00050 -0.00016 0.00146 0.00164 -0.00132 0.00230 -0.00228 -0.00080 -0.04864 -0.08210 0.00283 -0.00893 0.00602 0.01082 -0.01562 0.01733 -0.01308 0.00404 -0.04918 -0.10236 0.00033 0.00591 -0.02298 0.02463 0.04210 0.06632 -0.09927 -0.24936 -0.00100 0.00045 -0.00018 -0.00018 0.00072 0.00026 -0.00012 -0.00031 0.00023 0.00142 -0.00306 0.00524 0.00083 0.00025 0.00065 -0.00013 0.00123 -0.00044 -0.00013 -0.00194 -0.00140 -0.00042 0.00036 0.00009 -0.00016 -0.00018 0.00094 -0.00036 0.00056 -0.00132 0.07899 -0.00456 -0.01721 0.00342 -0.00249 0.02216 -0.01606 0.04574 -0.05877 0.00169 0.08634 -0.00755 -0.02174 0.00666 -0.00369 0.05050 -0.02576 0.12597 -0.19607 -0.17206 -0.00318 0.00351 0.00080 -0.00014 0.00100 -0.00027 0.00029 -0.00124 0.00223 -0.00204 -0.00278 0.00350 0.00071 -0.00019 0.00157 0.00038 0.00027 -0.00151 0.00325 -0.00182 0.00120 0.00192 0.00028 0.00018 -0.00009 -0.00060 0.00076 -0.00088 0.00156 -0.00103 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 7 H 1S 2S 3PX 3PY 3PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 9 H 1S 2S 3PX 3PY 3PZ 10 H 1S 2S 3PX 3PY 3PZ 11 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 18 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 19 H 1S 2S 3PX 3PY 3PZ 20 H 1S 2S 3PX 3PY 3PZ 21 H 1S 2S 3PX 3PY 3PZ 22 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 23 H 1S 2S 3PX 3PY 3PZ 24 H 1S 2S 3PX 3PY 3PZ 25 H 1S 2S 3PX 3PY 3PZ 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|7 H 1S|2S|3PX|3PY|3PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|9 H 1S|2S|3PX|3PY|3PZ|10 H 1S|2S|3PX|3PY|3PZ|11 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|18 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|19 H 1S|2S|3PX|3PY|3PZ|20 H 1S|2S|3PX|3PY|3PZ|21 H 1S|2S|3PX|3PY|3PZ|22 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|23 H 1S|2S|3PX|3PY|3PZ|24 H 1S|2S|3PX|3PY|3PZ|25 H 1S|2S|3PX|3PY|3PZ 1.99660 0.68111 0.75908 0.74157 0.54394 0.52463 0.21306 0.26219 0.42329 0.00289 0.00558 0.00315 0.01034 0.01441 1.99699 0.67529 0.75765 0.76761 0.54081 0.54688 0.10668 0.13749 0.40388 0.00254 0.00514 0.00299 0.01044 0.00957 1.99661 0.68581 0.71131 0.76519 0.56432 0.41389 0.10978 0.20256 0.38514 0.00399 0.00907 0.00623 0.01825 0.02111 1.99658 0.68087 0.75615 0.75563 0.57562 0.43787 0.14921 0.10799 0.40946 0.00319 0.00638 0.00521 0.01206 0.01330 1.99654 0.68072 0.74123 0.76042 0.55830 0.49692 0.22759 0.24360 0.42059 0.00283 0.00491 0.00419 0.01140 0.01176 1.99656 0.67831 0.74196 0.75982 0.56117 0.49721 0.25855 0.16756 0.42792 0.00270 0.00249 0.00632 0.01307 0.01027 0.53249 0.33182 0.00308 0.00645 0.00252 1.99653 0.68541 0.76691 0.74582 0.53951 0.48517 0.20124 0.25433 0.40014 0.00295 0.00610 0.00327 0.01030 0.01308 0.53113 0.32095 0.00344 0.00598 0.00264 0.53222 0.31996 0.00747 0.00185 0.00270 1.99657 0.67702 0.75728 0.74488 0.57152 0.51416 0.19535 0.23822 0.43382 0.00292 0.00493 0.00305 0.01004 0.01246 1.99633 0.68952 0.74866 0.74114 0.54321 0.43394 0.23066 0.14333 0.37639 0.00341 0.00325 0.01005 0.02303 0.01544 0.53079 0.31302 0.00336 0.00617 0.00243 0.53053 0.31494 0.00339 0.00606 0.00266 0.53636 0.31522 0.00752 0.00127 0.00237 1.99771 0.79952 0.81917 0.93163 0.66248 0.88363 0.35118 0.46777 0.47689 0.00437 0.00582 0.00756 0.01342 0.00765 1.99620 0.55808 0.51998 0.60828 0.25483 0.33679 0.10930 0.12668 0.10104 0.00580 0.00827 0.00884 0.01344 0.01580 1.99662 0.64457 0.73485 0.69659 0.69657 0.62392 0.38738 0.33224 0.35853 0.00208 0.00549 0.00663 0.00581 0.00193 0.51072 0.33207 0.00533 0.00273 0.00456 0.52042 0.34546 0.00306 0.00434 0.00463 0.52201 0.35895 0.00304 0.00612 0.00280 1.99661 0.64251 0.70219 0.73060 0.69324 0.63860 0.36157 0.38656 0.35231 0.00150 0.00802 0.00489 0.00253 0.00483 0.51318 0.33965 0.00326 0.00449 0.00475 0.52194 0.34712 0.00467 0.00298 0.00423 0.51736 0.34104 0.00453 0.00439 0.00320 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 C C C C C C H C H H C C H H H N B C H H H C H H H -0.181819 0.036017 0.106752 0.090483 -0.161003 -0.123919 0.123634 -0.110763 0.135851 0.135796 -0.162229 0.041629 0.144220 0.142421 0.137279 -0.428805 0.336676 -0.493216 0.144587 0.122081 0.107089 -0.525963 0.134663 0.119064 0.129475 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.381800 -0.374931 -0.331448 -0.323062 -0.302282 0.006690 0.051377 0.059710 0.122527 0.174232 1.413324 1.226464 1.830226 1.158135 1.228420 1.321016 1.354954 1.232171 1.295399 1.353878 5.024838895315D+02 -1.2469 2.0959 0.1745 2.4450 -64.1382 -61.4939 -79.2834 -3.0373 -2.5569 -0.4518 4.1670 6.8113 -10.9782 -3.0373 -2.5569 -0.4518 428.6526 -145.6281 4.8310 139.6318 -48.2034 11.5314 175.2199 -78.6976 1.5368 -1.3378 -2890.9494 -2119.7909 -164.1129 326.7540 -40.0443 306.9354 1.3542 20.7345 18.3914 -837.3553 -614.0191 -459.5509 11.9518 -16.5155 162.4098 0 -505.8682786 8.753E-9 3.686E-6 3.0980464,5.0639985,-8.1620449,-2.2581326,-1.9010251,-0.3358873 C01 [X(C11H12B1N1)] -0.4905673 0.8245929 0.0686651 0.000002951 -0.000006446 0.000000045 -0.000003234 0.000005486 0.000001672 0.000001202 0.000001588 0.000000296 -0.000000095 -0.000002491 0.000001646 -0.000003870 -0.000002647 -0.000000673 0.000000641 0.000002107 0.000001567 0.000001849 -0.000001252 -0.000000086 -0.000002429 0.000001257 0.000000855 -0.000001974 -0.000002271 0.000002220 -0.000000602 -0.000002809 0.000000248 -0.000003991 0.000000113 -0.000002767 -0.000000448 -0.000000273 0.000010000 -0.000002855 -0.000000525 0.000002017 -0.000003181 0.000001712 0.000000340 -0.000002812 0.000002597 -0.000004014 -0.000000170 -0.000003677 -0.000002923 -0.000002713 -0.000004325 -0.000005892 0.000005973 0.000017100 -0.000005919 0.000001459 -0.000002018 -0.000000876 -0.000000559 -0.000001446 0.000002516 0.000003929 -0.000000173 0.000000509 0.000003258 0.000000898 0.000010254 0.000001736 -0.000002066 -0.000005158 0.000001969 -0.000001037 -0.000002390 0.000003965 0.000000598 -0.000003485 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0117,.0606,.165;-2.6385,.0655,.0002;-1.9853,1.3389,-.0834;-2.7418,2.5388,.0313;-4.1437,2.4664,.2366;-4.7668,1.2488,.3015;-4.5384,-.8895,.2088;-2.0552,3.7736,-.0737;-4.7101,3.389,.3306;-5.8403,1.1897,.45;-.7029,3.7739,-.285;-.0415,2.5287,-.3964;-2.6124,4.7027,.0106;-.1401,4.6966,-.3724;1.033,2.5084,-.5719;-.6389,1.3631,-.3065;-1.8708,-1.3111,.0004;-.4818,-1.4982,.7173;.2898,-1.3001,-.0398;-.2939,-.7863,1.525;-.328,-2.5217,1.0768;-2.5487,-2.576,-.6624;-2.9878,-3.1815,.1451;-3.3433,-2.3593,-1.3818;-1.8031,-3.2236,-1.1372; Gaussian 16 GINC-IRENE3395 ZOUBRITL Napht_Me-DZ ES64L-G16RevC.01 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0117,.0606,.165;-2.6385,.0655,.0002;-1.9853,1.3389,-.0834;-2.7418,2.5388,.0313;-4.1437,2.4664,.2366;-4.7668,1.2488,.3015;-4.5384,-.8895,.2088;-2.0552,3.7736,-.0737;-4.7101,3.389,.3306;-5.8403,1.1897,.45;-.7029,3.7739,-.285;-.0415,2.5287,-.3964;-2.6124,4.7027,.0106;-.1401,4.6966,-.3724;1.033,2.5084,-.5719;-.6389,1.3631,-.3065;-1.8708,-1.3111,.0004;-.4818,-1.4982,.7173;.2898,-1.3001,-.0398;-.2939,-.7863,1.525;-.328,-2.5217,1.0768;-2.5487,-2.576,-.6624;-2.9878,-3.1815,.1451;-3.3433,-2.3593,-1.3818;-1.8031,-3.2236,-1.1372; Napht_Me-DZ Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 17 17 18 18 18 22 22 22 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 22 19 20 21 23 24 25 1.3831 1.4144 1.0872 1.4336 1.5762 1.423 1.3651 1.4187 1.4167 1.3693 1.0867 1.0854 1.3688 1.0867 1.4143 1.0843 1.0889 1.3128 1.5743 1.5807 1.099 1.0929 1.0957 1.1006 1.0935 1.0958 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 2 2 18 17 17 17 19 19 20 17 17 17 23 23 24 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 17 17 17 18 18 18 18 18 18 22 22 22 22 22 22 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 22 22 19 20 21 20 21 21 23 24 25 24 25 25 122.5854 119.2631 118.1439 117.5436 118.717 123.6353 120.1383 118.3379 121.5045 119.5998 118.1207 122.2783 120.1237 118.9663 120.9072 119.9674 119.6996 120.3315 119.3701 119.4084 121.2209 118.2923 121.6974 120.0094 119.3779 124.2955 116.3263 118.4101 122.2474 119.3366 118.3091 106.518 114.2614 112.5998 105.7255 107.2057 109.9879 107.6813 115.3977 111.2684 107.5633 105.32 109.0529 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 15 2 2 2 22 22 22 2 2 2 18 18 18 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 17 17 17 17 17 17 17 17 17 17 17 17 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 18 18 18 18 18 18 22 22 22 22 22 22 3 17 3 17 5 10 5 10 4 16 4 16 18 22 18 22 5 8 5 8 12 12 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 3 19 20 21 19 20 21 23 24 25 23 24 25 -2.418 174.0088 178.603 -4.9702 1.7638 -178.6907 -179.2464 0.2991 1.3321 -177.095 -174.9037 6.6692 -139.6089 36.5666 36.5855 -147.239 0.3698 -179.2506 178.746 -0.8744 179.3386 0.934 -1.0807 179.5238 178.5233 -0.8721 0.2518 179.9893 -179.3578 0.3797 0.0659 -179.4766 179.4495 -0.0931 0.2659 179.9315 -179.4667 0.1989 179.5523 -0.2176 -0.1192 -179.8891 -0.386 179.8377 -92.3186 24.0242 150.4464 91.4683 -152.1889 -25.7667 -99.5271 20.6026 145.5334 76.7992 -163.0711 -38.1404 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00031 0.00170 0.00556 0.01180 0.01401 0.01580 0.01610 0.01847 0.01856 0.02196 0.02272 0.02484 0.02622 0.02706 0.02755 0.03013 0.03135 0.03923 0.03946 0.04139 0.05254 0.05282 0.09827 0.10591 0.10848 0.11053 0.11131 0.11200 0.11478 0.11684 0.12139 0.12461 0.12878 0.13596 0.14715 0.16291 0.18292 0.18637 0.19684 0.20344 0.21068 0.21475 0.23352 0.24676 0.26104 0.27440 0.28740 0.29417 0.33367 0.33885 0.34251 0.34355 0.34862 0.35042 0.35643 0.36262 0.36330 0.36440 0.36728 0.36993 0.39277 0.40809 0.41434 0.44563 0.45804 0.49877 0.52546 0.54507 0.58825 Angle between quadratic step and forces= 79.93 degrees. 1 2 0.00027410 0.00000005 0.00000005 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 2.61369 2.67285 2.05452 2.70915 2.97851 2.68908 2.57959 2.68097 2.67718 2.58762 2.05350 2.05107 2.58661 2.05359 2.67272 2.04902 2.05777 2.48089 2.97492 2.98716 2.07684 2.06532 2.07049 2.07989 2.06647 2.07081 2.13952 2.08153 2.06200 2.05152 2.07200 2.15784 2.09681 2.06539 2.12065 2.08741 2.06160 2.13416 2.09655 2.07635 2.11023 2.09383 2.08915 2.10018 2.08340 2.08407 2.11570 2.06459 2.12402 2.09456 2.08354 2.16937 2.03028 2.06665 2.13362 2.08282 2.06488 1.85909 1.99424 1.96524 1.84526 1.87109 1.91965 1.87939 2.01407 1.94200 1.87733 1.83818 1.90333 -0.04220 3.03703 3.11721 -0.08675 0.03078 -3.11874 -3.12844 0.00522 0.02325 -3.09089 -3.05265 0.11640 -2.43663 0.63821 0.63854 -2.56981 0.00645 -3.12851 3.11971 -0.01526 3.13005 0.01630 -0.01886 3.13328 3.11582 -0.01522 0.00440 3.14141 -3.13038 0.00663 0.00115 -3.13246 3.13198 -0.00163 0.00464 3.14040 -3.13228 0.00347 3.13378 -0.00380 -0.00208 -3.13966 -0.00674 3.13876 -1.61126 0.41930 2.62579 1.59642 -2.65620 -0.44971 -1.73708 0.35958 2.54004 1.34040 -2.84613 -0.66568 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00003 0.00001 0.00002 0.00002 0.00004 -0.00007 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00009 0.00007 0.00003 0.00006 -0.00001 -0.00003 0.00007 -0.00003 -0.00005 0.00016 -0.00001 -0.00010 0.00002 -0.00001 -0.00006 -0.00003 -0.00009 -0.00002 -0.00008 -0.00001 -0.00001 -0.00002 -0.00002 0.00005 0.00007 0.00011 0.00013 0.00020 0.00024 0.00014 0.00018 -0.00004 -0.00001 -0.00006 -0.00003 0.00001 0.00003 0.00000 -0.00001 -0.00003 -0.00004 0.00002 0.00001 0.00006 0.00005 0.00002 0.00003 0.00003 0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00008 0.00003 -0.00008 0.00002 -0.00003 0.00007 -0.00019 -0.00007 -0.00018 -0.00023 -0.00012 -0.00022 -0.00058 -0.00044 -0.00061 -0.00055 -0.00040 -0.00057 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00003 0.00001 0.00002 0.00002 0.00004 -0.00007 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00009 0.00007 0.00003 0.00006 -0.00001 -0.00003 0.00007 -0.00003 -0.00005 0.00016 -0.00001 -0.00010 0.00002 -0.00001 -0.00006 -0.00003 -0.00009 -0.00002 -0.00008 -0.00001 -0.00001 -0.00002 -0.00002 0.00005 0.00007 0.00011 0.00013 0.00020 0.00024 0.00014 0.00018 -0.00004 -0.00001 -0.00006 -0.00003 0.00001 0.00003 0.00000 -0.00001 -0.00003 -0.00004 0.00002 0.00001 0.00006 0.00005 0.00002 0.00003 0.00003 0.00003 -0.00002 -0.00002 -0.00001 -0.00001 -0.00008 0.00003 -0.00008 0.00002 -0.00003 0.00007 -0.00019 -0.00007 -0.00018 -0.00023 -0.00012 -0.00022 -0.00058 -0.00044 -0.00061 -0.00055 -0.00040 -0.00057 2.61367 2.67287 2.05452 2.70914 2.97851 2.68907 2.57959 2.68098 2.67718 2.58761 2.05350 2.05107 2.58662 2.05359 2.67272 2.04902 2.05777 2.48089 2.97494 2.98715 2.07683 2.06532 2.07050 2.07987 2.06647 2.07083 2.13949 2.08154 2.06202 2.05155 2.07205 2.15777 2.09681 2.06536 2.12068 2.08740 2.06159 2.13418 2.09656 2.07635 2.11023 2.09383 2.08915 2.10017 2.08339 2.08408 2.11570 2.06460 2.12402 2.09455 2.08354 2.16936 2.03028 2.06663 2.13353 2.08288 2.06491 1.85915 1.99423 1.96521 1.84532 1.87106 1.91960 1.87956 2.01406 1.94190 1.87736 1.83817 1.90328 -0.04223 3.03694 3.11719 -0.08682 0.03078 -3.11875 -3.12846 0.00520 0.02330 -3.09082 -3.05254 0.11652 -2.43644 0.63845 0.63868 -2.56962 0.00641 -3.12852 3.11965 -0.01529 3.13006 0.01633 -0.01886 3.13328 3.11579 -0.01526 0.00442 3.14142 -3.13033 0.00667 0.00117 -3.13243 3.13201 -0.00159 0.00462 3.14038 -3.13230 0.00346 3.13370 -0.00377 -0.00216 -3.13963 -0.00677 3.13883 -1.61145 0.41923 2.62561 1.59619 -2.65631 -0.44993 -1.73766 0.35915 2.53943 1.33985 -2.84653 -0.66625 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000017 0.000003 0.001050 0.000274 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.674951e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 17 17 18 18 18 22 22 22 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 22 19 20 21 23 24 25 1.3831 1.4144 1.0872 1.4336 1.5762 1.423 1.3651 1.4187 1.4167 1.3693 1.0867 1.0854 1.3688 1.0867 1.4143 1.0843 1.0889 1.3128 1.5743 1.5807 1.099 1.0929 1.0957 1.1006 1.0935 1.0958 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 2 2 18 17 17 17 19 19 20 17 17 17 23 23 24 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 17 17 17 18 18 18 18 18 18 22 22 22 22 22 22 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 22 22 19 20 21 20 21 21 23 24 25 24 25 25 122.5854 119.2631 118.1439 117.5436 118.717 123.6353 120.1383 118.3379 121.5045 119.5998 118.1207 122.2783 120.1237 118.9663 120.9072 119.9674 119.6996 120.3315 119.3701 119.4084 121.2209 118.2923 121.6974 120.0094 119.3779 124.2955 116.3263 118.4101 122.2474 119.3366 118.3091 106.518 114.2614 112.5998 105.7255 107.2057 109.9879 107.6813 115.3977 111.2684 107.5633 105.32 109.0529 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 15 2 2 2 22 22 22 2 2 2 18 18 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 17 17 17 17 17 17 17 17 17 17 17 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 18 18 18 18 18 18 22 22 22 22 22 3 17 3 17 5 10 5 10 4 16 4 16 18 22 18 22 5 8 5 8 12 12 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 3 19 20 21 19 20 21 23 24 25 23 24 -2.418 174.0088 178.603 -4.9702 1.7638 -178.6907 -179.2464 0.2991 1.3321 -177.095 -174.9037 6.6692 -139.6089 36.5666 36.5855 -147.239 0.3698 -179.2506 178.746 -0.8744 179.3386 0.934 -1.0807 179.5238 178.5233 -0.8721 0.2518 179.9893 -179.3578 0.3797 0.0659 -179.4766 179.4495 -0.0931 0.2659 179.9315 -179.4667 0.1989 179.5523 -0.2176 -0.1192 -179.8891 -0.386 179.8377 -92.3186 24.0242 150.4464 91.4683 -152.1889 -25.7667 -99.5271 20.6026 145.5334 76.7992 -163.0711 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0.000000 1.383104 0.000000 2.408750 1.433621 0.000000 2.787822 2.475632 1.422998 0.000000 2.410482 2.843577 2.456015 1.418710 0.000000 1.414414 2.453707 2.809386 2.416122 1.369307 0.000000 1.087206 2.136607 3.401375 3.874591 3.379180 2.152503 0.000000 4.203663 3.754385 2.435639 1.416701 2.483238 3.723908 5.290558 0.000000 3.404899 3.930204 3.434889 2.164906 1.086665 2.141131 4.283702 2.712861 0.000000 2.167910 3.423150 3.894571 3.405342 2.134044 1.085382 2.465047 4.612744 2.475597 0.000000 4.993957 4.192888 2.759426 2.404725 3.717626 4.820307 6.058251 1.368777 4.072468 5.797564 0.000000 4.708473 3.601292 2.300477 2.733982 4.151231 4.945075 5.680909 2.389363 4.802580 6.011333 1.414343 0.000000 4.850899 4.637336 3.423042 2.167930 2.719731 4.081100 5.917929 1.086714 2.495700 4.791010 2.143951 3.391443 0.000000 6.063875 5.275216 3.842170 3.404081 4.623100 5.809239 7.133522 2.146836 4.805069 6.742919 1.084296 2.170269 2.501801 0.000000 5.655470 4.446929 3.273662 3.822813 5.239635 5.998931 6.572356 3.374355 5.879929 7.072927 2.167300 1.088927 4.294630 2.490857 0.000000 3.646257 2.403434 1.365059 2.432787 3.714290 4.174024 4.532793 2.805433 4.591847 5.259056 2.411712 1.312831 3.892104 3.371214 2.043837 0.000000 2.547972 1.576161 2.653824 3.947264 4.414885 3.876906 2.708685 5.088526 5.501039 4.713082 5.225197 4.271773 6.059389 6.263117 4.832011 2.960301 0.000000 3.898066 2.758711 3.309211 4.677036 5.418301 5.106815 4.133330 5.558092 6.473958 6.000797 5.371057 4.201205 6.594699 6.299163 4.473206 3.043008 1.574259 0.000000 4.516262 3.231310 3.484663 4.892093 5.823995 5.672966 4.851954 5.589519 6.864701 6.634572 5.176046 3.859671 6.667830 6.021333 3.916703 2.833118 2.161006 1.099018 0.000000 4.048349 2.923682 3.156700 4.390817 5.202011 5.064134 4.445063 5.143017 6.193756 5.985257 4.923309 3.839928 6.148056 5.803976 4.124690 2.844915 2.255374 1.092922 1.747400 0.000000 4.590106 3.631910 4.358568 5.703257 6.336083 5.875383 4.598277 6.628487 7.395627 6.674772 6.452081 5.268679 7.651621 7.364718 5.465576 4.135443 2.237059 1.095654 1.766544 1.792645 0.000000 3.126755 2.724770 3.997400 5.165189 5.364497 4.525253 2.749870 6.395834 6.421731 5.123708 6.623494 5.693418 7.310045 7.666552 6.219974 4.392147 1.580736 2.708733 3.173722 3.615513 2.821196 0.000000 3.400006 3.268920 4.635875 5.726672 5.765694 4.776703 2.767934 7.020691 6.795006 5.228507 7.333707 6.448286 7.894299 8.392930 7.003987 5.135660 2.183333 3.072584 3.783663 3.859819 2.894427 1.100629 0.000000 2.948827 2.878591 4.148140 5.133248 5.152455 4.228302 2.473568 6.401764 6.151744 4.710225 6.766942 5.980477 7.235051 7.814451 6.595678 4.725160 2.275369 3.651808 4.015230 4.496974 3.893934 1.093528 1.770188 0.000000 4.166514 3.579030 4.686175 5.954094 6.304111 5.554792 3.839451 7.081982 7.370991 6.188345 7.134526 6.061425 8.049784 8.128941 6.420167 4.804525 2.226260 2.856905 3.046956 3.912208 2.751403 1.095825 1.746294 1.782973 0.000000 1.2531262 0.7085916 0.4727494 1 -505.868278593 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=1111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=940952412. There are 78 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 75 vectors produced by pass 0 Test12= 1.14D-14 1.28D-09 XBig12= 9.63D+01 5.15D+00. AX will form 75 AO Fock derivatives at one time. 75 vectors produced by pass 1 Test12= 1.14D-14 1.28D-09 XBig12= 8.82D+00 4.80D-01. 75 vectors produced by pass 2 Test12= 1.14D-14 1.28D-09 XBig12= 1.48D-01 7.14D-02. 75 vectors produced by pass 3 Test12= 1.14D-14 1.28D-09 XBig12= 1.57D-03 4.44D-03. 75 vectors produced by pass 4 Test12= 1.14D-14 1.28D-09 XBig12= 8.73D-06 2.69D-04. 75 vectors produced by pass 5 Test12= 1.14D-14 1.28D-09 XBig12= 3.65D-08 1.67D-05. 63 vectors produced by pass 6 Test12= 1.14D-14 1.28D-09 XBig12= 1.53D-10 1.10D-06. 13 vectors produced by pass 7 Test12= 1.14D-14 1.28D-09 XBig12= 6.27D-13 6.07D-08. 3 vectors produced by pass 8 Test12= 1.14D-14 1.28D-09 XBig12= 2.42D-15 3.59D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 529 with 78 vectors. Isotropic polarizability for W= 0.000000 149.39 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.381800 -0.374931 -0.331448 -0.323062 -0.302282 0.006690 0.051377 0.059711 0.122527 0.174232 1.413324 1.226464 1.830227 1.158135 1.228420 1.321016 1.354954 1.232171 1.295399 1.353876 5.024838891111D+02 PT15471.500S 2021-03-25T14:08:36.000 -10.30631 -10.30527 -10.30338 -10.30180 -10.27825 -10.25451 -10.24643 -6.84076 -1.04506 -0.94956 -0.90711 -0.84983 -0.84043 -0.79440 -0.76038 -0.73661 -0.72138 -0.69200 -0.61612 -0.60338 -0.59495 -0.54195 -0.53388 -0.51153 -0.50475 -0.49815 -0.49488 -0.48634 -0.47770 -0.45682 -0.45318 -0.45038 -0.42862 -0.42782 -0.39037 -0.38180 -0.37493 -0.33145 -0.32306 -0.30228 0.00669 0.05138 0.05971 0.12253 0.17423 0.17692 0.19198 0.20370 0.23349 0.23810 0.24635 0.25311 0.25449 0.26226 0.26578 0.27988 0.28860 0.29621 0.32576 0.33570 0.34872 0.38138 0.39109 0.39554 0.40200 0.41476 0.42408 0.48016 0.53027 0.53185 0.55338 0.57135 0.58758 0.58811 0.60212 0.61529 0.63077 0.63559 0.64370 0.66676 0.67260 0.68003 0.68630 0.69554 0.69982 0.70880 0.71236 0.71578 0.73471 0.74601 0.74907 0.76196 0.76747 0.77194 0.79532 0.82786 0.84837 0.87075 0.88290 0.90222 0.90695 0.91388 0.92534 0.93997 0.95204 0.95568 0.96837 0.98022 0.99496 1.00856 1.01814 1.02925 1.03747 1.04741 1.05056 1.06553 1.07478 1.08871 1.13233 1.15225 1.16345 1.17336 1.19627 1.22837 1.25003 1.27694 1.30957 1.32848 1.34563 1.37083 1.39110 1.41371 1.42515 1.43366 1.44295 1.47102 1.49471 1.50199 1.50664 1.54250 1.55750 1.57499 1.60278 1.61798 1.65362 1.68198 1.70895 1.73900 1.76915 1.80483 1.82117 1.86184 1.87248 1.89079 1.90904 1.93549 1.95087 1.97262 1.98030 1.99510 2.00992 2.03987 2.04374 2.06234 2.08573 2.11426 2.13073 2.14327 2.15227 2.17179 2.18050 2.20341 2.21456 2.22194 2.23054 2.23509 2.26218 2.27697 2.31284 2.33862 2.34600 2.35944 2.37951 2.38829 2.40006 2.42850 2.44464 2.47137 2.47777 2.48730 2.50783 2.51492 2.53894 2.55335 2.57470 2.58946 2.60085 2.61333 2.63845 2.64645 2.67494 2.68180 2.70001 2.73490 2.74027 2.76416 2.77942 2.80070 2.81698 2.82399 2.83749 2.85968 2.88705 2.94322 2.95579 2.97721 2.99055 3.03650 3.10016 3.11463 3.14730 3.23528 3.28902 3.29970 3.32615 3.33689 3.34203 3.39905 3.43788 3.49173 3.50858 3.54556 3.55957 3.56758 3.58246 3.88711 3.93834 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.38180 -0.37493 -0.33145 -0.32306 -0.30228 0.00669 0.05138 0.05971 0.12253 0.17423 0.01291 0.00784 0.00093 -0.00105 0.00340 0.00602 -0.00628 0.01223 -0.01507 -0.01587 -0.02228 -0.01767 -0.00376 0.00335 -0.00824 -0.01366 0.01623 -0.03402 0.03893 0.02869 -0.11998 -0.04900 0.01242 -0.02644 0.01155 -0.04250 -0.00856 -0.05466 0.03426 -0.02561 0.09074 0.00260 -0.03770 0.00951 -0.00421 0.01337 -0.00098 0.01719 -0.00958 -0.06191 0.00726 0.09537 -0.01819 -0.22861 0.17231 -0.19348 -0.19545 -0.17050 0.00756 0.21262 -0.08266 -0.02632 0.05162 0.00039 -0.02427 -0.04723 0.03321 -0.04474 0.06205 0.24491 -0.06298 0.00335 0.02682 -0.02567 0.02303 -0.02810 -0.05777 0.00492 -0.05329 -0.01763 -0.00569 -0.02469 -0.00292 0.00703 -0.01566 -0.00848 0.02586 -0.00122 0.04885 -0.21257 0.00429 0.06051 -0.01760 -0.16664 0.13880 -0.21276 -0.27006 -0.22943 -0.00484 0.36206 0.00063 -0.00105 -0.00031 -0.00163 -0.00357 -0.00461 0.00237 -0.00152 -0.00322 0.00104 -0.00001 0.00200 -0.00070 0.00396 0.01541 0.01649 -0.00670 0.00007 0.02089 -0.00499 0.00127 0.00208 -0.00067 -0.00724 -0.00561 -0.00613 0.01144 0.00092 -0.00862 -0.01005 -0.00203 -0.00183 -0.00002 0.00052 0.00153 0.00178 -0.00088 -0.00027 0.00284 0.00617 -0.01616 0.00023 0.00674 -0.00188 -0.00017 -0.00231 0.00316 -0.00337 0.00563 -0.01047 -0.04136 0.00029 -0.00855 -0.00133 0.00335 0.00140 -0.00187 0.00043 -0.00075 -0.00340 0.07970 -0.00073 0.01744 0.00172 -0.00508 -0.00208 -0.00246 0.00112 -0.00302 0.01350 0.18381 0.06098 0.00423 -0.00171 0.03472 0.03073 -0.00318 0.01892 0.02258 -0.03060 -0.27405 0.02248 0.13630 -0.01381 0.02535 0.00334 -0.00424 -0.00715 0.01892 -0.03225 -0.03365 0.05996 -0.01494 -0.00933 0.28375 0.21497 -0.01216 0.05479 0.23951 -0.18069 0.16546 0.00399 0.05244 0.01210 -0.02598 -0.01931 0.05030 -0.04676 0.06874 0.01294 0.03723 0.04003 0.07724 -0.00185 0.01370 0.01901 -0.00609 0.04292 -0.01618 0.01199 -0.05937 0.02420 0.03214 -0.01485 0.01104 -0.00453 -0.04457 -0.05644 -0.02314 0.01935 -0.01644 0.03547 -0.01525 -0.00021 0.20494 0.24985 0.01170 0.05212 0.33437 -0.26950 0.00184 0.00016 -0.00033 -0.00289 0.00195 -0.00103 -0.00425 -0.00207 0.00043 0.00180 -0.00016 -0.00275 0.00091 0.01286 -0.00730 0.00936 0.01580 0.01609 -0.00901 -0.00988 -0.00075 0.00599 -0.00043 0.00860 0.00323 -0.00353 0.02057 -0.01375 0.00411 -0.00664 -0.00236 -0.00794 0.00165 0.00214 -0.00392 -0.00438 0.00755 -0.00903 0.01217 -0.00613 -0.00638 0.00473 0.00739 0.00037 0.00296 0.00225 -0.00050 0.00379 -0.00863 0.00949 0.00380 -0.00791 -0.02326 0.00108 -0.00487 -0.00445 0.00330 -0.00946 0.01362 -0.02054 -0.00152 0.01813 0.05739 -0.00323 0.01160 0.01059 -0.01121 0.02066 -0.03533 0.05849 0.06660 -0.01327 0.14769 0.03954 0.00555 -0.00884 0.06101 -0.02361 -0.00561 -0.01421 0.11901 -0.05009 -0.13091 0.00833 -0.02598 -0.01844 0.01488 -0.03088 0.03543 -0.00662 -0.02829 0.10731 -0.01800 0.26514 0.06595 -0.01563 0.33779 -0.07793 -0.13184 0.00307 -0.07838 0.02332 0.05481 -0.00041 0.02768 0.03554 -0.00180 0.10039 -0.07296 -0.01077 0.07500 0.00294 -0.07348 0.02680 -0.00399 -0.02539 0.05850 -0.08365 0.01881 -0.01586 0.02446 0.00593 0.04026 -0.00276 -0.00848 -0.01058 -0.00784 -0.00763 -0.02549 -0.01618 -0.02470 0.06999 0.01593 0.17732 0.04691 -0.02597 0.38761 -0.05775 -0.17321 0.00346 -0.00000 -0.00137 -0.00053 0.00098 0.00371 0.00521 -0.00101 -0.00448 -0.00488 0.00226 0.00029 0.00710 -0.00047 -0.00447 -0.01348 -0.01697 0.00087 0.01969 0.00682 0.01287 0.00077 -0.00484 -0.00325 0.00887 -0.01095 -0.01048 -0.00932 -0.01474 -0.02316 0.01105 -0.00874 -0.00083 0.00257 -0.00081 -0.00129 -0.00164 -0.00106 0.00452 -0.00077 0.00006 -0.00115 -0.00039 0.02637 0.00017 -0.00018 -0.00108 -0.00144 -0.00244 -0.00301 -0.00068 -0.00277 0.00300 0.01938 -0.00100 0.00250 0.00220 -0.00118 0.00336 -0.00426 -0.00741 0.00387 -0.00589 -0.03804 0.00168 -0.00531 -0.00503 0.00227 -0.00532 0.00561 0.01215 0.02226 0.00040 -0.10259 0.04325 -0.01002 -0.00046 -0.03082 -0.03483 -0.02116 -0.00676 -0.05947 0.01963 0.16205 -0.00734 0.01361 0.00736 -0.00376 0.00727 -0.01068 0.01932 0.00421 -0.09136 0.03036 0.26476 -0.02668 0.01195 -0.21525 -0.20916 -0.18875 0.04249 0.05337 -0.01654 -0.16494 0.00658 -0.01263 -0.01307 0.00541 -0.05328 0.08161 0.13446 0.07581 -0.02889 -0.01238 0.03236 -0.01102 -0.00352 -0.02430 -0.05375 -0.02402 0.04924 -0.02578 0.00747 0.17338 -0.00588 0.01159 0.01294 -0.00332 0.04551 -0.02833 -0.04338 -0.00617 -0.05300 0.01164 0.19148 -0.01470 0.01633 -0.25184 -0.30166 -0.29049 0.04978 -0.00023 0.00036 0.00031 -0.00146 -0.00405 0.00478 -0.00211 0.00050 0.00469 0.00392 -0.00021 -0.00105 -0.00128 0.00559 0.01526 -0.01835 0.00840 -0.00158 -0.01869 -0.00932 0.00236 -0.00972 -0.00097 -0.00710 0.00418 -0.01092 -0.02164 0.01470 0.01287 -0.00724 0.00442 -0.00206 0.00533 0.00095 0.00183 -0.00365 0.00233 -0.00161 -0.00036 -0.00616 -0.00492 -0.00014 0.00488 -0.00136 0.00118 -0.00094 -0.00375 0.00310 0.00256 -0.01074 -0.00499 0.00001 -0.01231 0.00055 -0.00003 0.00049 -0.00041 0.00104 -0.00117 -0.01595 0.00825 0.00025 0.02534 -0.00123 0.00041 -0.00124 0.00001 -0.00287 0.00386 0.02556 0.00821 -0.02259 0.07118 -0.00279 -0.04031 0.03480 0.00057 0.01108 0.04098 -0.04490 0.03405 -0.00619 -0.03364 0.00175 0.00217 -0.00324 0.00115 -0.00004 -0.00736 0.05605 -0.00493 -0.02007 0.00326 -0.01048 -0.27853 0.25262 -0.01587 0.08626 0.26307 0.13189 0.05935 -0.00986 0.10544 -0.00412 -0.00234 -0.00455 0.00238 0.01490 -0.02300 0.25825 0.02408 -0.02519 0.05381 0.00043 -0.03539 0.03762 0.00413 0.01731 0.06290 -0.10513 0.01428 -0.00341 -0.04627 0.00266 0.00199 -0.00350 0.00231 -0.02022 -0.00006 0.19967 -0.00562 -0.01429 0.00206 -0.00598 -0.21023 0.29319 -0.04631 0.13722 0.43987 0.19556 -0.00081 0.00095 0.00007 -0.00325 -0.00010 -0.00080 0.00410 0.00326 0.00167 -0.00088 0.00065 -0.00343 0.00030 0.01389 0.00192 0.00400 -0.01717 -0.01409 -0.00369 0.00917 0.00140 -0.00270 -0.00126 0.00921 0.00749 0.00479 -0.01310 -0.00220 0.01209 0.00766 -0.00357 -0.00231 0.00269 0.00214 0.00030 0.00024 -0.00225 -0.00323 0.00109 0.00771 -0.00473 -0.00029 0.00827 0.00092 0.00146 0.00059 -0.00172 -0.00069 0.00115 0.00894 -0.01407 -0.00318 0.00137 -0.00043 -0.00024 -0.00219 0.00239 -0.00580 0.01129 -0.01984 0.03215 0.00606 -0.00069 0.00085 -0.00059 0.00321 -0.00491 0.01155 -0.02419 0.03129 0.08643 0.03517 -0.01721 -0.03187 -0.02348 -0.01681 0.02444 0.02422 -0.03912 -0.09925 -0.11003 -0.00753 0.04530 0.00250 0.00646 -0.00376 0.00087 -0.02070 0.02946 -0.00854 -0.02672 0.03945 0.00478 -0.23346 -0.17538 -0.14974 0.20552 0.10308 -0.20000 -0.18672 0.06825 0.02728 -0.04137 0.00237 0.01243 0.03175 -0.03474 0.04772 -0.12635 0.35423 0.03717 0.02378 -0.03280 -0.02209 -0.01367 -0.01397 0.04020 0.01195 -0.03236 -0.18615 -0.06003 -0.02256 0.01159 0.00584 -0.00453 -0.01117 0.01831 -0.04763 0.07516 -0.02554 -0.01654 0.02907 0.00697 -0.17248 -0.13906 -0.17624 0.29723 0.10887 -0.32699 -0.30886 0.00094 -0.00051 0.00022 0.00156 -0.00017 0.00035 0.00148 0.00218 -0.00196 -0.00139 0.00032 0.00213 -0.00019 -0.00508 -0.00214 0.00175 -0.00477 -0.00474 0.00582 0.01126 0.00062 -0.00311 0.00047 0.00644 -0.01578 0.02055 0.00841 0.01250 0.01497 -0.00423 -0.00490 -0.00272 0.00230 -0.00041 -0.00096 0.00042 0.00021 -0.00121 0.00261 -0.01117 -0.00207 -0.00039 0.00287 0.00081 -0.00211 0.00292 0.00105 0.00253 0.00096 -0.00241 -0.04955 0.01060 0.02840 -0.00359 0.00256 -0.00403 0.00389 -0.00991 0.01597 -0.03230 -0.07837 0.00953 0.04296 -0.00764 0.00926 0.00059 -0.00840 0.00903 0.02225 -0.42564 -0.00274 -0.00052 0.00025 -0.00068 0.00043 -0.00091 -0.00068 -0.00066 -0.00061 0.00187 0.00056 0.00048 0.00005 0.00004 -0.00008 -0.00022 0.00017 -0.00079 0.00148 0.00231 0.00029 0.00241 -0.00039 -0.00564 0.00426 -0.00653 -0.00753 -0.00563 -0.00046 0.01056 0.00801 -0.00196 -0.00553 0.00049 -0.00116 -0.00153 0.00130 -0.00220 0.00232 -0.01329 -0.01453 0.00423 0.01640 -0.00128 0.00264 0.00396 -0.00376 0.00585 -0.00552 0.02156 0.03416 -0.04489 0.02472 0.00101 0.02742 -0.04083 -0.01343 0.02997 0.01936 -0.05362 0.04766 -0.01897 -0.05471 0.00350 -0.00672 -0.00501 0.00308 -0.00588 0.00236 0.07811 0.02758 -0.19512 -0.00639 0.00637 0.18686 -0.24747 -0.09604 0.21775 0.10330 -0.16925 -0.07953 0.01709 -0.06457 -0.00032 0.00237 0.00480 -0.00839 -0.00387 -0.02087 0.21246 0.00000 -0.02505 0.01018 0.00184 0.01991 -0.04547 -0.01780 0.04579 0.05273 -0.15897 0.04499 -0.01388 -0.00569 0.00169 -0.00338 0.00080 -0.00018 0.00545 -0.00131 0.20980 0.02190 -0.13436 -0.00284 0.00932 0.13469 -0.28751 -0.14894 0.31206 0.19715 -0.25523 -0.00003 0.00133 0.00168 0.00373 -0.00212 -0.00095 -0.00627 -0.00055 -0.00090 -0.00241 0.00149 -0.00457 -0.00126 -0.01370 0.00800 0.00405 0.02211 0.00336 0.00192 0.01237 -0.00035 0.00366 -0.00196 -0.00897 -0.00022 0.00054 0.01075 0.01093 0.01236 -0.00063 -0.00107 -0.00116 0.00457 -0.00231 0.00174 0.00103 0.00316 0.00117 -0.00121 0.00441 -0.00056 0.00096 0.00983 -0.00175 0.00041 0.00016 0.00140 0.00178 0.00100 0.00875 0.03101 0.00414 -0.04945 0.00124 -0.00179 0.00045 -0.00027 0.00368 -0.00254 -0.02651 0.03468 0.00227 -0.06058 0.00201 -0.00349 0.00052 0.00130 0.01395 -0.00088 -0.43832 0.00072 -0.00011 0.00031 -0.00005 -0.00097 0.00123 -0.00019 0.00077 0.00124 0.00030 -0.00001 -0.00011 0.00072 -0.00003 0.00012 -0.00006 -0.00009 0.00025 -0.00056 -0.00313 -0.00018 -0.00066 0.00031 -0.00029 -0.00704 0.00818 -0.00075 0.00383 0.01168 0.00496 -0.04919 -0.02092 0.01346 0.00024 -0.00121 -0.00194 0.00337 -0.00582 0.01059 -0.03771 -0.05813 -0.02196 0.00973 0.00079 -0.00066 -0.00500 0.01434 -0.02767 0.07665 -0.41618 -0.00091 -0.00024 0.00016 -0.00080 -0.00064 -0.00071 0.00102 0.00075 -0.00146 0.00131 -0.00196 0.00002 0.00068 0.00007 0.00025 0.00003 -0.00017 -0.00039 0.00065 0.00053 -0.00015 0.00099 0.00000 -0.00581 -0.00442 -0.00519 0.00727 0.00435 -0.00835 -0.00956 0.01041 -0.00122 0.02089 -0.00074 -0.00038 -0.00109 0.00084 -0.00262 0.00444 -0.01478 -0.02390 0.00204 -0.04661 0.00154 0.00036 0.00139 -0.00148 0.00335 -0.00769 0.02265 -0.02299 -0.01234 -0.08268 -0.03259 0.02201 0.02140 0.04280 0.00074 -0.00081 0.06994 0.05904 -0.00319 0.15262 -0.00501 0.00041 -0.00263 0.00076 -0.00499 0.00274 0.04952 0.03684 -0.15587 -0.00147 -0.22257 0.14764 0.12933 0.27440 -0.01613 0.01137 0.22636 -0.02822 0.01107 -0.09794 0.00426 0.00530 0.01673 -0.01535 0.04463 -0.07474 0.27699 -0.03811 -0.00759 -0.09283 -0.02351 0.01733 0.02812 0.05927 -0.00014 -0.01478 0.12260 0.02237 -0.00521 0.07330 -0.00308 -0.00306 -0.01145 0.00489 -0.02328 0.01070 0.09124 0.02878 -0.10786 0.00379 -0.16868 0.12241 0.15426 0.38399 -0.04427 -0.02388 0.38220 -0.00009 -0.00238 -0.00096 0.00117 0.00264 -0.00520 0.00013 0.00467 0.00221 0.00055 -0.00133 0.00811 -0.00034 -0.00365 -0.00976 0.01794 -0.00005 -0.01710 -0.00806 0.00316 -0.00055 0.00027 -0.00064 0.00799 0.00258 -0.00831 0.00800 0.01141 0.00735 0.01278 0.00016 0.00054 0.00020 -0.00058 -0.00156 0.00309 -0.00022 -0.00229 -0.00209 0.00417 0.00031 0.00091 0.00688 0.00097 0.00062 -0.00138 0.00140 0.00158 0.00186 -0.00746 -0.00790 0.00006 -0.02030 0.00094 0.00005 0.00130 -0.00045 0.00196 -0.00165 -0.01360 0.01878 0.00113 0.05147 -0.00246 0.00023 -0.00239 -0.00061 -0.00285 -0.00020 0.02765 0.02500 -0.01070 0.03427 -0.03779 -0.01707 0.03366 -0.03160 -0.02891 -0.02117 0.00856 -0.05797 -0.00431 -0.16747 0.00832 -0.00071 0.00261 -0.00070 0.00723 -0.00265 0.00989 0.00394 0.02607 -0.01904 -0.22853 -0.10670 0.19229 -0.18996 -0.20454 -0.08852 -0.23160 0.00927 -0.00837 0.03745 -0.00340 -0.00865 -0.02383 0.01125 -0.04452 0.02654 0.16785 0.01505 0.00369 0.03145 -0.02622 -0.00883 0.04353 -0.04885 -0.01543 -0.05530 0.07687 0.01288 -0.00967 0.01489 0.00042 0.00090 -0.00373 0.00404 -0.00829 0.01952 -0.01537 0.00265 0.01871 -0.01490 -0.15941 -0.08734 0.19588 -0.24501 -0.26546 -0.13572 -0.37792 -0.00051 0.00043 -0.00111 -0.00111 -0.00027 -0.00101 0.00137 0.00173 0.00060 0.00404 -0.00187 -0.00018 -0.00381 0.00411 0.00201 0.00481 -0.00452 -0.00479 -0.00304 -0.00861 0.00090 -0.01193 -0.00314 -0.00749 0.01443 0.01839 0.01876 -0.01370 -0.00935 0.00334 0.00851 -0.00247 0.02352 -0.00019 0.00063 0.00038 0.00003 -0.00252 0.00199 -0.01063 0.00576 -0.00251 0.01558 -0.00183 0.00240 0.00266 0.00311 -0.00300 -0.00085 0.00174 0.01100 -0.00376 -0.05770 0.00232 -0.00378 -0.00159 0.00227 -0.00290 0.00565 -0.02280 0.00874 -0.00246 -0.07720 0.00307 -0.00500 -0.00665 0.00929 -0.01167 0.03082 -0.41174 0.00106 -0.00109 0.00013 0.00003 0.00060 -0.00140 -0.00049 0.00099 0.00112 0.00170 0.00034 -0.00015 0.00037 -0.00001 -0.00005 -0.00017 0.00009 -0.00031 0.00039 -0.00090 0.00060 -0.00457 -0.00008 0.00006 0.00465 -0.00800 -0.00355 0.00849 0.00553 -0.00816 0.01412 0.00519 0.05235 -0.00217 0.00068 -0.00064 0.00065 -0.00189 0.00418 -0.03004 0.02470 0.00497 0.08183 -0.00317 0.00173 -0.00102 0.00325 -0.00651 0.03285 -0.32948 -0.00070 -0.00048 -0.00222 -0.00081 0.00056 0.00075 0.00157 0.00002 0.00005 0.00040 0.00015 -0.00009 0.00042 -0.00000 0.00000 -0.00002 0.00000 -0.00008 0.00017 -0.00171 0.00088 -0.00365 -0.00002 -0.00552 0.00362 0.00457 0.01015 -0.00036 0.00083 0.01140 0.03947 -0.01330 0.09506 -0.00318 0.00057 -0.00125 0.00189 -0.00433 0.00590 -0.02496 0.04067 -0.01585 0.10235 -0.00348 -0.00019 -0.00308 0.00657 -0.01477 0.02991 -0.28358 -0.00070 0.00031 -0.00137 -0.00088 -0.00043 0.00105 -0.00104 -0.00142 -0.00039 -0.00349 -0.00090 -0.00001 -0.00244 0.00014 -0.00003 0.00001 0.00000 0.00012 0.00005 0.00037 0.00029 0.00041 -0.00006 -0.00558 -0.00244 0.00687 -0.00670 -0.00752 -0.00377 -0.01002 0.02999 -0.00025 0.06362 -0.00260 -0.00036 -0.00303 0.00189 -0.00462 0.00410 -0.00134 -0.06485 0.00081 -0.14043 0.00545 0.00096 0.00687 -0.00594 0.00961 -0.01151 0.00446 -0.07226 0.05454 -0.25373 0.00868 -0.03737 -0.03535 -0.01557 0.04433 0.01426 0.05238 0.14315 -0.00632 0.39549 -0.01527 0.00370 -0.00727 0.00515 -0.01655 0.01130 -0.00117 -0.00638 0.15705 0.04518 0.00018 -0.20086 -0.21912 -0.09134 0.22233 0.15341 0.15087 -0.13137 -0.00196 -0.18775 0.01193 0.00719 0.02612 -0.00621 0.05798 -0.03560 0.02055 -0.03769 0.03559 -0.21167 0.00688 -0.02736 -0.03653 -0.01970 0.04484 0.02868 0.01576 0.10438 -0.00384 0.28780 -0.01006 0.00957 0.00620 0.00192 0.00610 0.00707 0.00899 -0.00752 0.10938 0.04187 0.00442 -0.15357 -0.22864 -0.09798 0.27601 0.19170 0.20551 -0.00576 0.00242 -0.01404 0.00430 -0.00014 -0.00250 0.00525 0.00229 -0.00103 0.00325 -0.00010 -0.00563 -0.00397 -0.01320 -0.00035 0.00925 -0.01940 -0.00701 0.00167 -0.01176 0.00133 0.00584 0.00134 -0.00776 -0.01241 -0.00276 -0.01277 -0.00296 -0.00105 -0.00356 -0.00234 -0.00132 -0.00455 -0.00208 0.00019 0.00272 -0.00430 0.00125 -0.00352 0.00403 -0.00776 0.00321 -0.01056 -0.00094 -0.00166 -0.00022 -0.00247 0.00059 -0.00164 0.00262 0.00888 0.00522 0.00393 0.00080 0.00134 -0.00062 0.00418 0.00286 -0.00356 0.00858 0.00060 -0.00800 -0.00378 0.00381 -0.00890 0.00069 0.01099 0.00888 0.00915 0.01132 -0.14930 -0.22378 0.04982 -0.00334 -0.07058 -0.09042 0.06160 -0.15398 0.15558 -0.03789 0.27763 -0.10243 -0.08473 0.00810 -0.04549 -0.03476 0.02912 -0.06052 0.07860 -0.04494 -0.02053 -0.15230 -0.00320 -0.00420 0.01535 0.14854 -0.10670 0.25339 -0.24088 0.03325 0.01873 -0.00985 -0.07982 -0.03768 0.02962 0.00366 -0.16844 -0.11426 -0.00950 -0.08053 -0.05388 -0.05305 0.01930 -0.00136 -0.00289 -0.05216 0.06971 -0.13320 0.29942 -0.18205 0.09323 -0.02542 -0.06307 0.00801 -0.01229 -0.01903 0.05727 -0.06540 0.11462 -0.10005 -0.00982 -0.02753 0.01335 -0.00911 0.04588 0.16482 -0.16803 0.38414 -0.28855 0.06606 -0.00656 -0.00106 0.00221 -0.00015 -0.00024 -0.00028 0.00083 -0.00014 0.00093 -0.00174 -0.00824 -0.00551 0.00218 0.00086 -0.00677 -0.00577 0.00332 -0.00264 -0.00655 0.00595 -0.00486 0.00897 0.00276 -0.00046 0.01159 0.01034 -0.00121 0.00485 0.01288 -0.01002 -0.01183 -0.01053 0.00448 -0.00085 -0.00192 -0.00116 -0.00215 0.00138 -0.00698 0.00540 -0.01665 0.00804 0.00451 -0.00051 0.00284 0.00111 0.00075 -0.00100 0.00426 -0.00478 0.01264 0.02521 -0.01307 0.00137 0.00895 0.00572 -0.00072 0.00524 0.01605 -0.03112 -0.02570 -0.04829 0.02466 -0.00579 -0.01339 -0.00960 -0.00948 -0.01244 -0.02386 0.03672 0.18649 0.25578 -0.01247 0.00350 0.07636 0.03873 -0.00560 0.02266 0.02303 -0.01642 -0.09732 0.01101 0.07757 -0.01003 -0.00008 0.00172 -0.00425 -0.00671 -0.01368 -0.01348 0.02255 0.10355 -0.03224 -0.00100 0.00510 -0.00749 0.00427 -0.02976 0.00377 -0.00847 -0.03136 -0.09461 0.07621 0.00630 -0.06211 -0.04880 0.05137 -0.05428 -0.19728 0.45187 0.10574 0.14858 0.00553 -0.00922 0.06407 0.03744 -0.05230 0.02448 0.06211 0.00816 -0.06122 0.00298 0.01787 -0.00174 -0.00889 -0.01451 0.00903 0.00236 0.01969 -0.01449 0.00988 0.04486 -0.01479 -0.00472 0.00640 0.01417 -0.01718 -0.04386 -0.05932 -0.01883 -0.00219 0.00208 0.00324 -0.00051 -0.00016 -0.00392 0.00233 -0.00864 0.00619 -0.00102 -0.00606 -0.00425 -0.00044 0.00003 -0.00312 -0.00669 0.00546 -0.01298 0.01367 -0.00353 -0.00582 0.00408 0.00464 -0.00044 0.00097 0.00092 -0.00018 0.00044 -0.00245 0.00053 -0.00382 -0.00342 0.00495 -0.00047 0.00134 0.00591 -0.00438 0.00930 -0.01175 0.00298 -0.00467 0.00425 0.00230 -0.00041 0.00084 0.00024 -0.00184 0.00251 -0.00619 0.00362 0.05556 0.05420 0.02560 -0.00102 0.03203 0.04123 -0.02687 0.06331 -0.06871 0.01253 0.04770 0.05768 -0.01735 0.00176 0.03661 0.09397 -0.06160 0.14054 -0.22110 -0.11123 0.00248 0.00419 -0.00081 0.00023 0.00101 0.00197 -0.00110 0.00446 -0.00307 0.00107 -0.00345 -0.00050 -0.00099 -0.00020 -0.00064 -0.00104 -0.00003 -0.00119 0.00069 -0.00014 0.00289 0.00466 0.00034 0.00008 0.00134 0.00177 -0.00078 0.00283 -0.00274 0.00083 -0.03407 0.06980 0.03047 -0.00575 0.00322 -0.01729 0.01021 -0.04019 0.02391 -0.00795 -0.04009 0.09143 0.01334 0.00030 0.00551 -0.03764 0.03956 -0.03549 0.15922 -0.13585 0.00356 0.00536 -0.00072 0.00004 0.00093 -0.00049 0.00027 -0.00125 0.00089 -0.00001 -0.00127 -0.00189 -0.00058 0.00035 -0.00041 -0.00015 0.00024 0.00197 0.00070 -0.00010 0.00156 -0.00047 -0.00074 0.00006 0.00021 -0.00001 0.00041 -0.00165 0.00048 -0.00048 0.08195 0.01245 -0.05814 0.00611 -0.00255 -0.01545 0.01495 -0.02388 0.05112 -0.01635 0.08994 0.01906 -0.09173 0.01159 -0.00834 -0.03886 0.05184 -0.04070 0.19746 -0.22689 0.00425 0.00517 -0.00017 0.00018 0.00161 0.00075 0.00081 -0.00080 0.00291 -0.00159 0.00160 0.00096 -0.00095 0.00005 0.00008 -0.00021 0.00004 -0.00012 -0.00010 0.00113 -0.00053 0.00188 0.00023 -0.00015 0.00010 -0.00058 0.00016 -0.00143 0.00132 -0.00019 0.01403 -0.02418 -0.00599 0.00139 -0.01192 -0.00603 0.00159 -0.00282 -0.01161 -0.02348 -0.02711 0.04635 0.01030 -0.00465 0.02370 0.01230 -0.01007 -0.00234 0.01613 0.02387 0.00029 0.15152 0.01002 0.00610 0.02911 0.02040 0.00417 0.01919 0.00171 -0.03911 -0.19686 0.18060 0.04587 -0.00974 0.07400 0.02635 -0.00815 0.01232 0.02635 -0.03877 -0.01290 0.10283 0.01683 0.00786 -0.00238 -0.00755 0.02142 -0.01037 0.00426 -0.02097 -0.04994 0.09285 0.02736 -0.00024 0.05956 0.04595 0.00641 0.06265 0.14989 0.36248 0.00458 0.07989 0.00237 0.00918 0.00956 0.00937 0.03283 0.01757 0.03407 -0.08135 -0.11485 0.11211 0.03988 0.00084 0.04982 0.02983 0.02100 0.05243 0.05257 -0.14625 -0.00853 0.04771 0.00091 0.01428 -0.01258 0.01639 0.05470 0.03161 -0.05387 -0.08595 -0.00154 -0.00208 0.00010 -0.00035 0.00069 0.00334 -0.00325 0.00530 -0.00548 0.00171 -0.00925 -0.00346 0.00181 -0.00073 0.00132 0.00192 -0.00216 0.00424 -0.00390 0.00281 -0.00181 0.00481 0.00033 -0.00024 0.00319 0.00702 -0.00590 0.01356 -0.01472 0.00401 -0.00475 -0.00532 0.00107 -0.00061 0.00056 0.00130 -0.00134 0.00074 0.00150 -0.00228 -0.00478 0.00139 0.00167 -0.00002 -0.00084 -0.00524 0.00415 -0.01090 0.01269 -0.00076 0.05910 -0.03608 -0.00715 0.00485 -0.03158 -0.03899 0.02963 -0.06685 0.06541 -0.01220 0.06346 -0.04136 -0.00873 0.00487 -0.03835 -0.09448 0.06413 -0.17252 0.21287 -0.24637 0.00098 0.00258 0.00010 0.00017 0.00028 0.00079 -0.00051 0.00175 -0.00178 0.00064 -0.00319 0.00327 0.00087 -0.00035 0.00153 0.00184 -0.00219 0.00301 -0.00307 0.00020 -0.00306 0.00382 0.00050 -0.00016 0.00146 0.00164 -0.00132 0.00230 -0.00228 -0.00080 -0.04864 -0.08210 0.00283 -0.00893 0.00602 0.01082 -0.01562 0.01733 -0.01308 0.00404 -0.04918 -0.10236 0.00033 0.00591 -0.02298 0.02463 0.04210 0.06632 -0.09927 -0.24936 -0.00100 0.00045 -0.00018 -0.00018 0.00072 0.00026 -0.00012 -0.00031 0.00023 0.00142 -0.00306 0.00524 0.00083 0.00025 0.00065 -0.00013 0.00123 -0.00044 -0.00013 -0.00194 -0.00140 -0.00042 0.00036 0.00009 -0.00016 -0.00018 0.00094 -0.00036 0.00056 -0.00132 0.07899 -0.00456 -0.01721 0.00342 -0.00249 0.02216 -0.01606 0.04574 -0.05877 0.00169 0.08634 -0.00755 -0.02174 0.00666 -0.00369 0.05050 -0.02576 0.12597 -0.19607 -0.17206 -0.00318 0.00351 0.00080 -0.00014 0.00100 -0.00027 0.00029 -0.00124 0.00223 -0.00204 -0.00278 0.00350 0.00071 -0.00019 0.00157 0.00038 0.00027 -0.00151 0.00325 -0.00182 0.00120 0.00192 0.00028 0.00018 -0.00009 -0.00060 0.00076 -0.00088 0.00156 -0.00103 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 6 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 7 H 1S 2S 3PX 3PY 3PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 9 H 1S 2S 3PX 3PY 3PZ 10 H 1S 2S 3PX 3PY 3PZ 11 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 13 H 1S 2S 3PX 3PY 3PZ 14 H 1S 2S 3PX 3PY 3PZ 15 H 1S 2S 3PX 3PY 3PZ 16 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 17 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 18 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 19 H 1S 2S 3PX 3PY 3PZ 20 H 1S 2S 3PX 3PY 3PZ 21 H 1S 2S 3PX 3PY 3PZ 22 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4D 0 4D+1 4D-1 4D+2 4D-2 23 H 1S 2S 3PX 3PY 3PZ 24 H 1S 2S 3PX 3PY 3PZ 25 H 1S 2S 3PX 3PY 3PZ 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|6 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|7 H 1S|2S|3PX|3PY|3PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|9 H 1S|2S|3PX|3PY|3PZ|10 H 1S|2S|3PX|3PY|3PZ|11 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|13 H 1S|2S|3PX|3PY|3PZ|14 H 1S|2S|3PX|3PY|3PZ|15 H 1S|2S|3PX|3PY|3PZ|16 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|17 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|18 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|19 H 1S|2S|3PX|3PY|3PZ|20 H 1S|2S|3PX|3PY|3PZ|21 H 1S|2S|3PX|3PY|3PZ|22 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4D 0|4D+1|4D-1|4D+2|4D-2|23 H 1S|2S|3PX|3PY|3PZ|24 H 1S|2S|3PX|3PY|3PZ|25 H 1S|2S|3PX|3PY|3PZ 1.99660 0.68111 0.75908 0.74157 0.54394 0.52463 0.21306 0.26219 0.42329 0.00289 0.00558 0.00315 0.01034 0.01441 1.99699 0.67529 0.75765 0.76761 0.54081 0.54688 0.10668 0.13749 0.40388 0.00254 0.00514 0.00299 0.01044 0.00957 1.99661 0.68581 0.71131 0.76519 0.56432 0.41389 0.10978 0.20256 0.38514 0.00399 0.00907 0.00623 0.01825 0.02111 1.99658 0.68087 0.75615 0.75563 0.57562 0.43787 0.14921 0.10799 0.40946 0.00319 0.00638 0.00521 0.01206 0.01330 1.99654 0.68072 0.74123 0.76042 0.55830 0.49692 0.22759 0.24360 0.42059 0.00283 0.00491 0.00419 0.01140 0.01176 1.99656 0.67831 0.74196 0.75982 0.56117 0.49721 0.25855 0.16756 0.42792 0.00270 0.00249 0.00632 0.01307 0.01027 0.53249 0.33182 0.00308 0.00645 0.00252 1.99653 0.68541 0.76691 0.74582 0.53951 0.48517 0.20124 0.25433 0.40014 0.00295 0.00610 0.00327 0.01030 0.01308 0.53113 0.32095 0.00344 0.00598 0.00264 0.53222 0.31996 0.00747 0.00185 0.00270 1.99657 0.67702 0.75728 0.74488 0.57152 0.51416 0.19535 0.23822 0.43382 0.00292 0.00493 0.00305 0.01004 0.01246 1.99633 0.68952 0.74866 0.74114 0.54321 0.43394 0.23066 0.14333 0.37639 0.00341 0.00325 0.01005 0.02303 0.01544 0.53079 0.31302 0.00336 0.00617 0.00243 0.53053 0.31494 0.00339 0.00606 0.00266 0.53636 0.31522 0.00752 0.00127 0.00237 1.99771 0.79952 0.81917 0.93163 0.66248 0.88363 0.35118 0.46777 0.47689 0.00437 0.00582 0.00756 0.01342 0.00765 1.99620 0.55808 0.51998 0.60828 0.25483 0.33679 0.10930 0.12668 0.10104 0.00580 0.00827 0.00884 0.01344 0.01580 1.99662 0.64457 0.73485 0.69659 0.69657 0.62392 0.38738 0.33224 0.35853 0.00208 0.00549 0.00663 0.00581 0.00193 0.51072 0.33207 0.00533 0.00273 0.00456 0.52042 0.34546 0.00306 0.00434 0.00463 0.52201 0.35895 0.00304 0.00612 0.00280 1.99661 0.64251 0.70219 0.73060 0.69324 0.63860 0.36157 0.38656 0.35231 0.00150 0.00802 0.00489 0.00253 0.00483 0.51318 0.33965 0.00326 0.00449 0.00475 0.52194 0.34712 0.00467 0.00298 0.00423 0.51736 0.34104 0.00453 0.00439 0.00320 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 C C C C C C H C H H C C H H H N B C H H H C H H H -0.181819 0.036017 0.106752 0.090483 -0.161004 -0.123918 0.123634 -0.110763 0.135852 0.135796 -0.162229 0.041628 0.144220 0.142421 0.137279 -0.428804 0.336676 -0.493217 0.144587 0.122081 0.107089 -0.525963 0.134663 0.119064 0.129475 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 8 11 12 16 17 18 22 C C C C C C C C C N B C C -0.058185 0.036017 0.106752 0.090483 -0.025152 0.011878 0.033457 -0.019808 0.178907 -0.428804 0.336676 -0.119460 -0.142761 -0.00000 186.326 13.719 193.880 -12.904 -1.527 67.976 188.048 11.027 180.182 -14.703 -0.860 77.267 -8.7071 -1.3023 -0.0007 -0.0006 0.0005 0.7380 47.7552 65.2640 86.1622 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 47.6972 65.2116 86.1592 146.5673 177.3633 181.3583 193.6556 276.6992 318.8527 364.4744 432.9889 446.4136 453.2017 488.4229 545.0188 555.2864 574.8842 660.3001 665.7405 697.5157 786.1898 812.0904 828.4889 833.4591 848.3711 862.4295 883.9402 923.7399 962.2560 990.2087 997.4083 1013.1846 1023.8816 1066.1820 1098.2951 1146.4896 1153.8385 1173.0191 1216.7639 1247.2022 1287.6278 1297.4628 1342.8980 1351.5050 1368.1914 1420.7677 1440.5955 1454.5552 1467.4613 1474.2300 1487.8060 1492.4532 1528.6361 1567.3741 1654.7906 1680.7973 1703.4715 3036.1256 3048.2024 3109.8487 3119.3673 3152.3597 3157.5912 3182.3273 3200.8647 3206.9568 3209.0940 3230.7100 3241.6690 2.8533 1.0423 4.0781 3.6274 1.3600 2.2692 3.6038 2.6966 3.2447 2.3923 2.9049 3.9602 3.7376 3.1168 5.0271 6.1970 4.0630 3.3057 3.1320 1.5644 1.2205 3.2035 1.9353 4.5081 1.3818 2.7290 2.5324 2.2576 1.4070 1.4175 3.1667 1.3392 1.3600 2.8119 2.1908 2.2733 2.5043 1.2770 1.4481 2.1930 1.7266 2.0819 1.3433 1.6054 2.8082 3.3579 2.5449 1.0615 1.0679 2.0487 1.0944 1.0842 2.8329 4.1211 6.8029 5.5328 6.7004 1.0444 1.0398 1.0894 1.0952 1.1025 1.1012 1.0901 1.0873 1.0909 1.0904 1.0975 1.0971 0.0038 0.0026 0.0178 0.0459 0.0252 0.0440 0.0796 0.1216 0.1944 0.1872 0.3209 0.4650 0.4523 0.4381 0.8798 1.1258 0.7911 0.8492 0.8179 0.4484 0.4445 1.2447 0.7827 1.8451 0.5860 1.1959 1.1658 1.1350 0.7676 0.8189 1.8561 0.8100 0.8400 1.8833 1.5570 1.7605 1.9644 1.0352 1.2631 2.0098 1.6866 2.0649 1.4273 1.7277 3.0972 3.9936 3.1118 1.3232 1.3549 2.6233 1.4273 1.4228 3.9002 5.9649 10.9756 9.2094 11.4557 5.6722 5.6921 6.2077 6.2785 6.4551 6.4686 6.5045 6.5635 6.6102 6.6158 6.7490 6.7929 1.0090 0.8623 2.3129 0.3543 1.6396 3.0897 0.1542 0.1593 2.6015 1.5473 1.6172 0.9509 8.1205 0.9267 0.6534 3.4133 0.7565 11.8489 6.6644 4.6392 4.2493 3.9808 56.1676 0.5890 10.7571 20.9245 10.9581 24.9243 2.6872 0.4079 26.1168 0.4796 1.6097 0.3525 19.4040 44.2531 48.9853 8.1149 71.8886 1.9861 1.0450 104.2760 96.0812 67.5994 42.1941 4.9538 0.7352 0.2318 0.5814 0.4671 3.3958 10.6006 7.9886 39.8215 65.4474 13.8240 31.4694 2.9896 6.1678 17.9077 33.3398 27.6373 33.7555 39.3969 6.4826 12.7177 12.9875 32.7034 20.2188 0.01 0.00 -0.06 0.01 -0.00 -0.03 0.01 0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.00 -0.06 -0.00 -0.00 -0.08 0.01 0.00 -0.06 -0.01 0.01 0.03 -0.01 -0.00 -0.07 -0.01 -0.01 -0.11 0.00 0.02 0.08 0.01 0.03 0.08 -0.02 0.00 0.02 -0.00 0.03 0.11 0.02 0.04 0.12 0.02 0.02 0.04 -0.01 -0.02 -0.00 0.10 0.01 -0.22 -0.02 0.06 -0.33 0.21 0.01 -0.24 0.19 0.01 -0.26 -0.13 -0.08 0.23 0.08 -0.05 0.36 -0.29 -0.16 0.39 -0.20 -0.07 0.10 -0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.02 0.01 0.01 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.02 0.01 -0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.02 -0.00 0.01 -0.02 -0.00 0.02 -0.01 0.10 0.05 -0.07 -0.05 0.08 0.03 -0.02 -0.05 0.02 -0.01 -0.02 0.53 -0.38 -0.02 -0.29 -0.06 0.32 0.05 0.35 -0.47 0.02 -0.00 0.14 0.02 0.00 0.16 0.01 0.00 0.12 -0.02 0.00 -0.06 -0.02 0.00 -0.09 0.00 -0.00 0.04 0.02 -0.00 0.18 -0.04 0.00 -0.21 -0.04 0.00 -0.22 -0.00 -0.01 0.03 -0.03 0.01 -0.12 0.01 0.01 0.13 -0.07 0.00 -0.38 -0.05 0.01 -0.23 0.03 0.01 0.24 0.03 0.01 0.23 0.01 -0.01 0.00 0.06 -0.12 -0.13 -0.00 -0.04 -0.17 0.14 -0.23 -0.05 0.07 -0.17 -0.28 -0.05 0.10 -0.13 -0.14 0.07 -0.20 -0.01 0.23 -0.14 -0.09 0.07 -0.16 -0.11 0.03 0.07 -0.11 -0.00 0.08 -0.08 -0.03 0.02 -0.02 0.01 -0.01 -0.03 0.06 -0.06 -0.07 0.07 -0.02 -0.13 0.05 0.12 0.06 -0.04 0.01 -0.01 0.07 -0.11 -0.08 0.12 -0.04 0.07 -0.12 0.05 -0.01 -0.16 0.02 0.12 0.00 0.00 0.13 -0.15 0.08 -0.01 -0.23 0.02 -0.09 -0.11 0.00 0.03 0.07 0.01 0.11 0.19 -0.11 0.02 -0.05 -0.26 0.28 0.35 -0.29 0.10 0.26 0.09 0.18 0.02 -0.03 0.15 0.01 -0.06 0.21 -0.03 -0.08 0.25 0.06 0.02 0.00 -0.00 0.07 -0.01 -0.01 -0.01 -0.01 -0.01 -0.06 -0.01 -0.01 -0.07 -0.00 -0.00 -0.05 0.01 -0.00 0.05 0.01 -0.00 0.15 0.01 -0.01 -0.01 -0.00 0.00 -0.06 0.01 0.00 0.11 0.02 -0.01 0.07 0.01 -0.01 0.03 0.01 -0.01 -0.00 0.04 -0.01 0.15 0.02 -0.02 0.07 -0.01 -0.01 -0.05 -0.00 -0.01 -0.01 -0.00 0.05 0.00 -0.01 0.63 0.16 -0.29 -0.21 0.30 0.28 -0.04 -0.39 -0.01 -0.00 -0.00 -0.09 0.07 0.01 0.04 0.00 -0.06 -0.01 -0.07 0.08 -0.04 0.01 -0.12 -0.02 -0.01 0.04 0.00 -0.01 0.13 0.02 -0.00 0.14 0.01 0.01 0.08 -0.02 0.02 -0.10 -0.06 0.02 -0.26 0.02 -0.01 0.03 0.02 0.01 0.11 -0.04 0.03 -0.22 -0.01 -0.02 -0.14 -0.01 -0.03 -0.08 0.03 -0.00 0.03 -0.02 -0.03 -0.29 -0.03 -0.04 -0.17 -0.00 -0.02 0.08 0.00 -0.00 0.01 0.03 0.04 -0.02 -0.01 0.53 0.07 -0.17 -0.18 0.23 0.27 -0.04 -0.36 0.02 -0.01 0.01 -0.05 0.04 0.01 0.07 -0.02 -0.05 0.03 -0.04 0.08 0.03 -0.00 0.11 0.03 0.00 0.18 0.01 0.00 0.04 -0.00 -0.00 0.03 -0.03 -0.00 -0.17 -0.02 -0.01 -0.16 0.04 -0.01 0.18 0.01 0.00 0.16 -0.06 -0.00 -0.32 -0.05 -0.01 -0.34 -0.00 0.01 0.08 -0.04 0.02 -0.17 0.02 0.00 0.29 0.00 0.01 0.16 -0.07 0.03 -0.37 -0.02 0.01 -0.13 0.03 -0.00 0.12 0.07 -0.13 0.02 0.01 -0.07 -0.03 0.16 -0.23 0.08 0.06 -0.18 -0.11 -0.04 0.11 -0.02 -0.06 0.02 -0.09 -0.05 0.25 0.03 -0.09 0.13 -0.13 0.03 -0.07 -0.03 0.03 0.00 -0.01 0.02 -0.02 0.00 0.00 -0.05 0.01 0.00 -0.09 0.01 0.01 -0.10 -0.01 0.07 -0.09 -0.05 0.00 -0.05 -0.01 -0.02 -0.11 0.03 0.01 -0.12 -0.01 0.00 -0.05 -0.01 0.03 -0.04 0.01 0.01 -0.04 -0.02 -0.00 -0.05 -0.02 0.03 -0.04 0.02 0.03 -0.04 0.01 0.03 0.06 0.00 0.03 0.19 0.04 0.06 0.12 0.06 -0.06 0.33 -0.06 0.07 0.26 0.22 -0.18 0.19 -0.02 -0.14 0.13 -0.04 -0.26 0.43 0.15 -0.36 0.16 -0.26 0.02 0.00 0.13 0.01 -0.04 0.05 0.08 -0.05 0.08 0.06 -0.05 0.04 0.04 -0.02 -0.12 0.02 0.01 -0.01 0.01 0.01 0.17 -0.00 -0.02 0.07 0.06 0.01 -0.29 0.00 0.05 -0.09 -0.02 0.06 -0.02 0.01 0.08 -0.05 -0.06 -0.06 0.11 -0.07 0.09 -0.06 -0.00 0.13 -0.14 0.09 0.05 0.05 -0.13 -0.11 -0.04 -0.12 0.18 -0.04 -0.18 0.12 -0.12 -0.20 0.41 -0.22 0.06 0.29 0.20 -0.04 -0.16 -0.08 -0.09 -0.21 -0.15 0.02 -0.19 -0.16 0.05 -0.11 -0.03 -0.03 0.02 -0.09 -0.01 -0.03 0.05 0.03 -0.04 -0.05 0.02 -0.04 -0.04 0.05 0.00 0.10 -0.01 0.03 -0.02 -0.06 0.04 -0.14 -0.03 -0.02 -0.08 0.11 0.03 0.25 -0.01 0.06 0.01 -0.02 0.03 0.06 0.01 0.04 0.04 -0.09 -0.05 -0.14 -0.03 0.04 0.12 0.01 0.08 0.08 0.03 0.01 -0.08 -0.09 -0.07 0.24 0.03 0.01 0.00 -0.28 0.09 -0.30 0.27 0.05 -0.09 0.28 0.03 -0.06 -0.01 0.00 -0.02 -0.20 -0.26 -0.33 0.17 0.20 -0.17 0.12 0.17 -0.05 -0.03 0.08 0.02 -0.00 -0.07 0.07 0.01 -0.08 0.04 0.03 -0.05 0.06 0.06 0.09 0.06 0.00 0.13 -0.07 -0.12 0.13 0.01 -0.08 -0.03 -0.10 0.14 0.14 0.04 -0.02 0.16 -0.18 -0.07 0.02 0.07 -0.05 0.02 0.06 -0.17 -0.08 -0.28 -0.08 0.02 0.07 -0.05 0.07 0.07 -0.02 -0.02 -0.11 0.13 -0.08 -0.12 0.11 0.01 0.04 0.36 -0.05 0.30 -0.18 0.07 0.06 0.02 0.05 0.22 -0.04 -0.05 -0.05 0.02 0.11 0.12 -0.18 0.03 0.13 -0.28 -0.24 -0.15 -0.05 0.09 -0.04 -0.03 -0.05 -0.12 0.01 -0.09 -0.13 0.01 -0.09 -0.14 0.04 0.08 -0.07 -0.00 0.13 0.08 -0.12 0.13 0.08 -0.05 -0.07 0.20 0.17 0.15 0.01 0.02 0.16 0.29 -0.11 -0.00 -0.11 -0.06 0.02 -0.04 -0.07 -0.12 0.58 -0.14 0.01 -0.10 -0.05 0.09 0.01 0.06 -0.04 0.18 0.07 -0.04 0.05 0.12 -0.02 0.05 0.12 -0.02 0.05 0.13 -0.03 0.05 0.12 -0.02 0.04 -0.01 0.04 -0.00 -0.07 0.00 -0.06 -0.00 0.22 0.04 -0.10 0.00 -0.10 -0.06 0.05 0.02 -0.05 0.07 0.04 0.13 -0.07 0.00 0.06 -0.16 0.02 0.06 -0.07 0.01 -0.09 0.02 -0.01 -0.01 0.03 0.01 -0.08 -0.13 -0.02 0.19 0.01 -0.03 -0.10 0.09 -0.06 -0.09 -0.03 0.03 0.04 0.03 0.01 -0.18 -0.18 -0.08 -0.18 0.03 0.04 0.04 0.17 -0.00 0.15 -0.04 -0.06 -0.06 0.19 -0.05 -0.13 -0.00 -0.07 -0.08 -0.06 -0.02 -0.01 -0.18 0.06 -0.35 -0.10 -0.24 0.10 0.15 0.07 0.24 0.28 0.25 0.03 -0.14 0.06 0.18 0.14 0.22 -0.02 0.01 -0.17 0.01 -0.01 0.09 0.03 -0.01 0.19 -0.02 -0.00 -0.15 -0.00 0.00 -0.07 0.02 0.00 0.16 -0.07 0.02 -0.46 -0.01 -0.00 -0.07 0.01 0.01 -0.04 0.05 0.00 0.38 0.02 0.00 0.16 -0.03 0.00 -0.16 -0.02 -0.01 -0.07 0.05 0.00 0.37 -0.09 0.01 -0.51 0.01 -0.00 0.06 0.01 0.00 -0.03 0.00 0.01 -0.00 0.06 -0.01 0.05 -0.05 0.02 0.00 -0.03 0.01 0.03 -0.00 -0.01 -0.00 0.03 0.05 0.05 -0.04 -0.05 0.02 -0.03 -0.04 0.00 0.23 0.16 -0.03 0.17 0.09 -0.16 0.06 0.05 0.08 -0.07 0.01 0.15 -0.10 0.12 -0.09 0.10 0.06 0.07 0.25 0.16 -0.06 -0.15 -0.04 -0.01 -0.13 0.13 -0.34 0.11 -0.15 0.05 -0.15 -0.19 0.05 -0.05 -0.12 0.02 -0.12 0.00 -0.24 -0.15 -0.20 -0.07 -0.06 -0.00 -0.06 0.01 -0.13 -0.06 -0.02 -0.01 0.04 -0.04 0.00 0.01 -0.22 0.08 -0.17 0.09 0.04 -0.05 0.13 0.01 -0.04 -0.01 -0.01 0.02 -0.08 -0.17 -0.14 0.10 0.02 -0.10 0.12 0.12 0.04 -0.03 -0.15 -0.01 -0.07 -0.07 -0.07 -0.07 -0.08 0.05 0.20 0.06 0.05 0.30 -0.04 -0.10 0.27 -0.01 0.01 -0.12 -0.09 0.01 -0.05 0.20 -0.00 0.23 -0.07 -0.24 0.26 0.21 0.03 -0.09 0.09 0.02 -0.27 -0.04 0.06 -0.20 0.11 -0.10 0.11 -0.04 -0.09 -0.27 -0.02 0.03 -0.13 -0.11 -0.01 -0.03 0.06 0.03 -0.07 0.01 -0.02 -0.16 0.01 -0.11 0.07 -0.06 0.00 -0.08 -0.03 -0.13 0.03 0.10 0.04 0.05 0.08 0.04 0.04 0.06 0.02 0.08 0.13 0.07 -0.13 -0.03 -0.03 -0.11 -0.04 -0.21 0.00 -0.03 0.10 0.04 -0.05 0.23 -0.05 -0.03 -0.16 -0.10 0.00 0.17 -0.15 -0.03 -0.04 0.07 -0.06 -0.02 -0.06 0.00 -0.54 -0.09 0.07 0.22 0.08 0.07 -0.00 0.08 0.07 0.03 -0.00 -0.07 -0.35 -0.02 0.11 -0.23 0.07 0.01 -0.05 -0.01 0.09 -0.09 0.02 -0.01 0.05 0.10 -0.03 0.04 0.07 -0.03 0.02 0.18 -0.09 0.08 0.08 -0.06 -0.02 -0.00 0.02 0.02 -0.10 -0.08 -0.11 0.06 0.19 0.00 -0.03 0.06 -0.06 -0.07 0.01 -0.07 -0.02 0.09 0.14 0.08 0.06 -0.02 0.03 0.08 -0.01 0.01 -0.08 -0.06 -0.08 -0.04 0.09 -0.00 -0.04 -0.30 -0.05 0.17 0.07 -0.01 -0.08 -0.13 -0.09 0.04 0.11 -0.07 -0.03 -0.08 0.01 -0.05 0.09 0.02 0.21 0.16 0.05 -0.10 -0.12 0.05 0.10 0.29 0.11 -0.12 -0.11 -0.02 0.02 -0.00 0.10 0.01 -0.03 0.40 -0.06 0.28 -0.16 -0.04 0.08 -0.12 0.01 0.08 -0.06 -0.08 -0.00 -0.14 -0.27 -0.19 0.06 -0.08 -0.13 0.09 0.07 0.00 0.04 0.01 -0.12 0.06 -0.05 0.19 -0.04 -0.03 0.01 -0.03 -0.04 -0.01 -0.03 0.05 -0.08 0.08 0.01 0.10 -0.04 0.04 -0.39 0.05 -0.10 0.09 -0.04 0.05 -0.16 0.10 -0.05 0.16 0.01 0.01 -0.13 0.02 0.02 0.12 0.04 -0.12 0.24 -0.06 0.06 -0.15 0.07 -0.06 0.43 -0.10 0.07 -0.13 0.01 -0.02 -0.01 -0.08 -0.00 0.00 -0.24 0.05 -0.15 -0.01 0.06 -0.08 0.07 0.02 -0.02 0.04 0.04 -0.03 0.16 0.28 0.22 -0.10 -0.07 0.10 -0.08 -0.12 0.02 0.04 0.00 -0.00 0.02 -0.01 0.01 -0.04 -0.02 0.01 -0.01 -0.05 -0.01 0.01 0.02 0.00 0.06 0.01 -0.01 0.03 0.01 -0.03 0.02 -0.10 -0.00 0.02 0.03 -0.01 0.06 -0.02 -0.03 0.02 0.01 -0.01 -0.01 0.02 0.00 -0.01 -0.12 0.04 -0.04 0.04 0.03 -0.01 -0.06 0.03 -0.08 0.05 0.01 -0.03 0.04 0.00 0.02 0.02 -0.09 0.41 -0.09 0.30 -0.26 -0.06 0.06 -0.33 0.00 0.02 -0.04 0.01 0.08 -0.16 -0.35 -0.27 0.19 0.05 -0.16 0.26 0.33 0.08 -0.00 -0.00 -0.03 0.00 -0.01 0.02 0.01 -0.01 0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.07 -0.00 0.00 -0.06 0.03 -0.00 0.29 0.01 0.01 0.06 0.05 -0.00 0.50 0.08 -0.03 0.51 0.00 -0.00 0.03 0.01 0.00 0.04 -0.04 0.01 -0.34 -0.07 -0.00 -0.45 -0.03 0.01 -0.20 0.01 -0.00 -0.02 -0.00 -0.01 0.01 -0.01 0.00 -0.02 0.04 -0.01 0.03 -0.08 0.01 -0.01 -0.04 0.01 0.02 0.01 0.01 0.00 0.01 0.01 0.01 0.01 0.02 0.01 0.01 0.00 0.01 0.03 0.06 0.01 0.00 0.18 0.01 -0.03 0.09 0.02 0.05 -0.06 -0.03 0.13 -0.12 -0.03 -0.02 -0.01 -0.02 0.17 -0.01 0.00 0.01 -0.11 0.02 0.24 -0.07 0.11 -0.01 0.09 0.09 -0.01 -0.03 0.01 -0.04 -0.02 0.02 -0.06 -0.15 -0.07 -0.09 0.00 -0.13 -0.05 -0.12 -0.05 -0.13 0.07 0.01 -0.04 0.13 -0.02 0.11 0.02 0.12 -0.05 -0.03 -0.07 0.47 -0.11 0.15 0.12 -0.05 -0.08 -0.11 -0.11 -0.11 0.04 -0.05 0.03 -0.17 -0.49 -0.15 -0.01 -0.12 0.05 0.01 0.01 0.02 -0.00 -0.00 -0.08 0.04 -0.01 0.21 -0.00 -0.00 -0.04 -0.01 -0.01 -0.02 -0.03 0.00 -0.07 0.04 0.00 0.27 -0.00 0.01 -0.04 0.06 -0.00 0.31 0.02 -0.01 0.33 -0.01 0.01 -0.10 -0.01 -0.00 0.03 0.06 0.00 0.44 0.11 0.00 0.52 0.04 -0.01 0.31 -0.01 -0.01 -0.07 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.05 -0.01 -0.04 0.09 -0.04 0.03 -0.06 -0.02 -0.07 0.01 -0.02 0.02 -0.06 -0.06 -0.06 0.04 0.13 0.03 -0.05 -0.02 -0.07 -0.12 -0.21 0.00 -0.12 -0.02 0.02 -0.01 0.08 0.01 -0.06 0.08 0.02 0.02 0.12 -0.01 0.25 0.03 -0.04 -0.28 -0.12 0.09 -0.11 -0.04 0.00 -0.13 0.02 0.03 0.25 0.20 0.03 -0.12 -0.19 0.01 0.22 0.02 -0.04 0.05 0.04 0.05 -0.31 -0.06 0.16 0.23 0.13 0.02 0.07 0.09 -0.01 -0.02 0.07 0.02 0.03 0.06 0.03 0.03 -0.09 -0.00 0.28 -0.16 0.16 -0.21 -0.06 -0.17 -0.02 -0.06 -0.03 -0.05 -0.03 -0.02 -0.06 -0.05 0.00 -0.11 -0.12 -0.08 0.02 0.02 0.01 0.01 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.04 -0.00 -0.01 0.02 -0.02 -0.00 0.02 0.02 0.02 -0.12 0.01 0.00 0.03 -0.00 0.00 -0.06 -0.04 -0.03 -0.14 0.01 0.02 0.01 -0.02 -0.00 0.02 -0.02 -0.01 -0.09 -0.00 0.01 -0.21 -0.04 -0.01 -0.09 -0.01 -0.01 -0.01 0.06 0.04 -0.00 -0.06 0.08 0.00 -0.08 -0.10 -0.07 0.25 -0.18 0.16 -0.39 -0.08 -0.31 0.05 -0.09 0.03 -0.21 -0.12 -0.13 0.07 0.40 0.15 -0.27 -0.22 -0.29 0.02 0.03 -0.09 0.02 0.02 0.10 -0.02 0.00 -0.18 0.04 -0.01 0.23 -0.01 -0.02 -0.09 -0.01 -0.01 -0.01 0.09 0.01 0.27 -0.01 -0.00 -0.10 0.03 -0.02 0.12 0.06 -0.05 0.48 0.01 0.01 0.00 -0.04 -0.00 -0.10 0.01 -0.01 0.09 0.11 -0.00 0.53 0.02 -0.02 0.25 -0.00 -0.00 0.08 -0.00 0.01 0.04 -0.02 0.04 -0.02 0.05 -0.06 0.03 0.03 -0.08 0.07 -0.21 -0.02 -0.10 0.02 -0.04 -0.02 -0.04 0.03 0.01 -0.03 0.08 0.07 -0.13 -0.16 -0.10 -0.03 0.03 0.00 0.00 0.07 0.01 -0.02 0.10 -0.01 0.04 0.02 0.00 0.13 -0.11 -0.03 -0.05 0.02 0.01 0.02 -0.01 -0.03 -0.05 -0.01 0.01 0.22 -0.06 -0.01 -0.06 0.22 0.04 -0.06 -0.12 0.01 0.07 -0.02 -0.01 0.02 0.02 -0.01 -0.12 -0.09 0.02 0.07 -0.06 -0.01 -0.08 0.10 0.02 0.08 -0.07 -0.03 -0.07 -0.09 -0.05 -0.11 0.13 -0.03 -0.39 0.21 -0.24 0.25 0.05 0.20 0.08 -0.01 0.08 -0.14 -0.07 -0.10 0.15 0.46 0.14 -0.11 -0.04 -0.17 0.03 0.05 -0.04 -0.00 0.00 -0.06 0.01 0.02 0.04 0.00 0.01 -0.04 0.03 -0.05 0.04 0.00 -0.01 0.01 0.07 0.05 0.25 -0.01 0.01 0.01 -0.01 -0.05 -0.24 -0.01 -0.03 -0.09 -0.01 -0.04 -0.00 0.02 -0.01 0.02 0.03 0.03 0.04 -0.01 -0.04 -0.04 0.00 -0.03 -0.07 -0.04 0.04 -0.01 -0.14 -0.07 0.20 0.04 0.04 -0.10 0.36 -0.10 0.22 -0.22 -0.09 0.09 -0.29 0.03 0.04 0.08 0.01 -0.10 0.12 0.36 0.22 -0.16 -0.00 0.18 -0.19 -0.31 -0.03 -0.02 -0.00 -0.13 0.01 0.01 0.05 -0.00 0.00 0.01 -0.01 -0.00 -0.03 0.01 0.00 0.10 -0.00 -0.00 -0.01 0.08 -0.02 0.72 0.00 -0.01 -0.01 -0.08 0.01 -0.56 0.02 -0.00 0.13 0.00 0.01 0.01 0.00 -0.00 0.03 0.01 -0.01 0.13 -0.02 0.01 -0.10 -0.03 0.00 -0.16 0.00 -0.01 -0.01 0.04 0.03 -0.04 -0.02 -0.01 0.02 -0.08 0.03 -0.04 0.02 0.03 -0.03 0.06 -0.00 -0.00 -0.02 -0.01 0.02 -0.03 -0.09 -0.05 0.03 -0.01 -0.04 0.04 0.05 0.01 -0.00 0.01 -0.02 0.01 -0.02 -0.00 0.01 -0.01 0.04 -0.00 0.00 -0.05 0.01 -0.01 0.03 -0.01 0.00 0.00 0.01 0.01 0.15 0.01 0.01 0.09 -0.00 0.00 -0.12 -0.01 0.00 -0.03 0.00 -0.01 0.02 -0.01 0.00 -0.15 -0.07 0.02 -0.53 0.00 -0.02 -0.01 0.14 -0.01 0.78 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.03 -0.01 0.01 -0.02 -0.01 -0.02 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.02 0.02 0.03 0.02 -0.04 -0.08 0.01 -0.07 0.20 -0.01 0.02 0.09 0.02 -0.03 -0.01 -0.01 -0.04 0.07 0.02 0.11 -0.02 -0.02 0.04 -0.12 -0.03 0.07 -0.16 0.01 -0.16 -0.00 -0.01 0.11 0.00 0.01 0.03 0.12 -0.00 -0.12 0.01 -0.01 -0.11 -0.26 -0.10 -0.05 0.17 0.02 -0.09 0.06 0.18 0.07 -0.13 -0.01 -0.05 0.08 0.05 0.01 -0.10 -0.04 0.07 0.13 0.09 -0.30 0.15 -0.17 0.28 0.06 0.26 0.07 -0.07 -0.00 -0.13 0.02 -0.04 0.00 0.23 0.15 -0.24 -0.26 -0.21 0.01 -0.00 0.07 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.06 -0.02 0.00 -0.11 -0.04 0.00 -0.40 -0.01 0.00 -0.05 -0.05 0.01 -0.39 0.08 -0.01 0.61 0.01 -0.00 0.07 -0.00 0.00 -0.04 0.05 0.00 0.30 -0.06 -0.00 -0.36 0.03 -0.00 0.20 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.02 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.01 -0.00 0.06 -0.01 0.00 -0.06 -0.02 0.00 -0.22 0.01 0.00 0.09 -0.04 0.01 -0.31 0.05 -0.00 0.36 -0.02 -0.00 -0.10 0.01 0.00 0.05 -0.08 0.00 -0.53 0.09 -0.01 0.54 -0.05 0.00 -0.32 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.14 0.01 -0.04 0.01 0.00 -0.11 -0.04 0.02 -0.05 -0.03 0.01 0.03 -0.07 -0.01 0.09 -0.04 -0.02 -0.16 0.24 0.00 -0.08 0.07 0.01 -0.09 -0.15 0.01 0.11 -0.20 0.00 -0.00 0.18 0.00 0.21 -0.12 -0.03 -0.34 -0.07 0.04 -0.33 0.41 0.06 0.21 -0.45 -0.03 -0.00 -0.07 0.00 -0.02 0.02 -0.02 0.01 -0.01 0.01 0.01 0.02 0.01 0.01 0.01 -0.01 0.07 0.00 0.03 0.01 -0.01 0.01 -0.03 -0.01 -0.02 0.02 0.06 0.02 -0.01 -0.00 -0.03 -0.03 0.17 0.01 -0.08 -0.01 0.02 0.01 -0.06 -0.00 -0.03 0.00 0.00 -0.01 -0.09 0.00 0.12 -0.05 -0.02 -0.32 0.34 0.04 0.05 -0.01 -0.01 -0.34 -0.31 0.04 0.15 -0.28 -0.01 -0.00 -0.09 -0.00 -0.07 0.07 0.01 0.30 0.14 -0.04 0.17 -0.20 -0.03 -0.07 0.28 0.01 0.03 0.05 -0.00 -0.08 0.02 -0.08 0.03 -0.02 0.03 0.03 0.01 0.03 0.11 -0.00 0.00 0.17 0.00 0.05 0.03 -0.00 0.03 -0.06 0.00 -0.02 0.06 0.16 0.05 0.01 0.04 -0.05 0.02 -0.02 0.00 -0.03 -0.01 0.00 0.03 -0.12 -0.00 0.04 -0.09 -0.01 -0.03 0.09 0.01 -0.01 -0.02 0.00 0.09 -0.06 -0.03 -0.06 0.11 0.01 0.22 0.26 -0.03 0.01 -0.47 -0.01 0.01 -0.04 -0.00 0.05 -0.01 -0.01 -0.21 0.03 0.03 0.41 -0.28 -0.07 0.05 -0.08 -0.01 -0.04 0.09 0.01 -0.04 0.20 0.03 0.01 -0.07 -0.01 0.02 0.12 0.05 -0.10 0.10 -0.12 0.19 0.03 0.17 0.02 -0.05 -0.01 -0.13 -0.06 -0.09 -0.03 -0.04 0.03 -0.16 -0.17 -0.14 -0.04 0.06 0.02 0.01 -0.02 -0.04 -0.05 -0.04 0.02 -0.04 -0.00 0.01 0.03 -0.04 -0.01 0.02 -0.02 -0.00 -0.19 0.15 -0.05 0.05 -0.00 -0.01 -0.04 -0.09 0.00 0.03 -0.02 0.00 -0.03 -0.01 0.00 -0.02 0.02 0.00 0.32 0.16 -0.04 -0.15 0.06 0.02 -0.01 0.14 0.01 0.04 -0.00 -0.01 0.25 0.12 0.18 -0.05 -0.03 -0.06 -0.16 0.12 -0.11 -0.40 0.15 -0.14 -0.23 -0.01 0.00 -0.06 -0.02 -0.06 0.02 -0.16 -0.10 -0.12 -0.44 -0.13 -0.09 -0.16 0.04 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.05 -0.03 0.01 -0.01 -0.00 0.00 0.03 0.05 -0.00 -0.03 -0.04 0.00 0.10 -0.06 -0.00 0.07 0.01 -0.01 0.36 0.26 -0.05 -0.02 -0.30 -0.00 -0.06 -0.00 0.01 -0.01 -0.00 0.00 0.52 0.28 -0.08 -0.47 0.25 0.08 -0.01 0.04 0.00 0.02 -0.01 -0.00 -0.06 0.01 -0.03 0.01 -0.00 0.01 0.04 -0.01 0.04 0.07 -0.02 0.01 0.08 0.01 0.03 0.02 -0.01 0.01 -0.03 0.03 0.01 0.02 0.08 0.03 -0.01 0.00 -0.03 0.05 -0.01 -0.01 0.03 -0.06 0.00 0.03 -0.09 -0.01 0.01 0.01 -0.00 -0.02 -0.03 0.00 -0.02 0.06 0.00 0.28 -0.13 -0.03 -0.00 0.02 0.00 -0.40 -0.26 0.05 -0.05 0.63 0.02 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.22 0.16 -0.03 -0.23 0.14 0.04 0.01 -0.09 -0.00 -0.03 -0.00 0.01 -0.06 0.11 -0.01 0.00 -0.03 0.00 0.05 0.06 0.06 0.04 0.02 -0.04 0.14 0.02 0.09 0.02 -0.02 0.00 -0.08 -0.02 -0.05 -0.01 -0.00 0.03 -0.09 -0.07 -0.08 0.02 0.01 -0.00 -0.07 -0.06 0.01 0.12 0.03 -0.02 0.21 0.12 -0.03 -0.04 0.03 0.01 -0.04 0.01 0.01 -0.08 0.06 0.01 0.00 -0.04 -0.00 -0.32 -0.14 0.04 -0.02 -0.58 -0.01 -0.01 -0.05 0.00 -0.00 0.03 0.00 -0.18 -0.16 0.03 -0.51 0.26 0.08 -0.01 -0.12 -0.00 -0.09 -0.03 0.01 0.03 0.02 0.01 -0.00 -0.01 0.00 -0.03 0.02 -0.02 -0.04 0.03 -0.02 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.04 -0.03 -0.01 -0.06 -0.02 -0.02 -0.02 0.00 0.06 0.04 -0.01 -0.08 -0.03 0.01 -0.18 -0.03 0.03 0.03 0.06 -0.00 0.04 0.00 -0.01 -0.02 0.00 0.00 0.53 -0.21 -0.06 0.03 -0.01 -0.00 -0.03 -0.04 0.00 -0.02 -0.08 -0.00 -0.00 -0.03 0.00 0.06 0.04 -0.01 -0.28 -0.21 0.04 0.05 -0.06 -0.01 0.08 0.68 -0.01 0.03 -0.05 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.02 -0.02 -0.00 -0.02 -0.00 -0.02 -0.02 -0.01 -0.05 0.03 0.01 -0.11 0.16 0.00 0.03 -0.10 -0.00 0.04 -0.08 -0.01 -0.01 0.07 0.00 0.05 -0.02 -0.01 0.61 -0.33 -0.08 0.00 0.04 -0.00 -0.33 -0.13 0.04 0.05 -0.08 -0.01 -0.03 -0.00 0.01 -0.01 -0.03 0.00 0.15 0.13 -0.02 -0.00 -0.02 -0.00 -0.01 -0.26 0.01 -0.00 0.07 -0.00 0.07 -0.13 0.00 0.03 0.02 0.01 -0.13 -0.05 -0.16 -0.16 0.01 0.05 -0.21 -0.05 -0.09 -0.02 0.01 -0.00 0.10 0.02 0.07 0.03 0.06 -0.04 0.08 0.07 0.08 -0.01 0.01 0.00 -0.02 0.02 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.08 -0.04 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.02 0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.07 0.00 0.01 0.01 -0.00 0.01 -0.06 -0.01 -0.07 0.02 -0.02 0.20 -0.12 0.22 0.26 -0.07 -0.01 0.27 0.05 -0.05 0.05 0.12 0.04 -0.02 -0.38 -0.36 -0.09 -0.40 0.02 -0.33 -0.37 0.09 0.04 0.00 -0.01 -0.05 -0.03 0.01 0.03 0.03 -0.01 -0.03 0.01 0.00 -0.02 -0.04 0.00 0.02 0.02 -0.00 0.04 0.01 0.01 -0.04 -0.01 0.01 0.20 0.09 -0.03 0.02 0.04 -0.00 0.03 0.01 -0.01 0.01 0.04 -0.00 0.10 0.08 -0.02 0.04 0.01 -0.01 0.01 -0.02 -0.00 -0.02 -0.04 0.00 -0.07 -0.01 -0.06 0.14 -0.01 0.05 -0.34 0.09 -0.40 -0.41 0.08 0.09 -0.41 -0.09 0.03 0.04 0.07 0.04 -0.07 -0.21 -0.23 -0.04 -0.20 0.03 -0.20 -0.20 -0.00 -0.07 -0.03 0.01 0.19 0.04 -0.01 -0.10 -0.05 0.01 0.06 -0.01 -0.01 0.04 0.10 -0.00 -0.07 -0.06 0.01 -0.31 0.10 0.05 0.14 0.04 -0.02 -0.43 -0.19 0.06 -0.09 0.03 0.02 -0.09 -0.03 0.01 -0.04 -0.12 0.01 -0.37 -0.28 0.05 -0.14 -0.01 0.02 -0.03 0.07 0.01 0.07 0.10 -0.01 -0.09 0.00 -0.04 0.08 -0.00 0.02 -0.16 0.03 -0.20 -0.19 -0.01 0.09 -0.20 -0.03 0.06 0.04 0.04 0.02 -0.08 -0.10 -0.15 -0.05 -0.11 0.07 -0.12 -0.13 -0.01 -0.11 0.08 0.02 0.04 -0.05 -0.01 0.06 -0.13 -0.01 -0.18 0.27 0.03 0.14 0.04 -0.02 -0.01 -0.11 -0.00 0.37 -0.18 -0.05 -0.02 -0.09 0.00 0.17 0.06 -0.03 -0.01 -0.06 0.00 0.05 -0.04 -0.01 -0.06 0.08 0.01 -0.28 -0.25 0.05 0.01 -0.02 -0.00 -0.09 -0.64 0.01 0.06 0.03 -0.01 -0.01 0.03 0.00 0.00 -0.01 0.00 -0.01 0.05 0.01 0.02 0.02 -0.02 -0.02 -0.00 0.02 0.00 -0.01 0.00 -0.04 0.06 0.03 0.01 -0.01 -0.01 0.00 0.05 -0.07 -0.06 -0.00 0.01 0.08 0.15 -0.01 0.11 -0.16 -0.02 -0.05 0.03 0.01 -0.01 0.03 0.00 0.02 -0.09 -0.00 -0.23 0.09 0.03 -0.03 0.04 0.00 0.14 0.13 -0.02 -0.00 0.23 0.01 0.11 -0.04 -0.02 0.05 0.03 -0.01 -0.16 -0.02 0.03 -0.25 0.19 0.04 0.07 0.71 -0.01 -0.16 -0.05 0.03 0.01 -0.03 0.00 -0.00 0.02 -0.00 -0.00 -0.18 -0.05 -0.10 -0.05 0.08 0.10 0.01 -0.05 -0.00 0.01 -0.00 0.08 -0.06 -0.01 0.01 0.05 0.00 -0.00 -0.06 0.08 -0.01 -0.00 0.00 0.01 0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.02 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.02 0.00 0.01 0.06 -0.00 -0.01 -0.00 0.00 -0.00 -0.03 -0.01 0.00 -0.05 -0.01 0.01 0.66 0.18 0.43 0.08 -0.21 -0.44 -0.01 0.24 -0.01 0.01 -0.01 0.09 -0.08 -0.02 -0.01 0.07 0.03 0.01 -0.08 0.13 0.01 -0.00 -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.05 0.00 0.01 0.00 -0.00 -0.01 0.03 0.00 0.00 0.01 -0.02 -0.05 -0.06 -0.08 -0.07 -0.15 0.14 0.07 0.07 0.15 -0.05 0.00 -0.01 0.59 -0.29 0.12 0.29 0.36 -0.26 -0.16 -0.31 0.23 -0.05 -0.05 0.01 0.10 0.03 -0.01 -0.01 -0.01 0.00 -0.01 0.02 0.00 0.14 0.05 -0.02 -0.07 0.07 0.01 -0.05 -0.06 0.01 -0.10 -0.09 0.02 -0.39 -0.29 0.05 -0.05 -0.44 -0.00 -0.02 0.08 0.00 0.08 0.04 -0.01 0.41 0.21 -0.06 0.38 -0.15 -0.06 0.09 0.10 -0.01 -0.06 -0.07 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.02 -0.04 0.01 -0.05 0.01 -0.13 0.10 0.00 0.06 0.14 0.01 0.00 -0.00 -0.05 0.01 -0.03 -0.05 -0.01 0.05 0.02 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.04 -0.01 0.00 0.01 0.01 -0.00 0.03 0.02 -0.00 0.01 0.02 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.04 -0.01 0.01 -0.05 0.03 0.01 -0.01 0.04 0.00 -0.00 0.01 0.00 0.02 -0.02 0.00 -0.01 0.01 -0.06 -0.11 0.10 -0.13 0.09 -0.43 0.32 0.01 0.21 0.52 0.01 0.00 0.04 -0.11 0.15 0.08 0.15 -0.24 -0.21 -0.13 0.15 -0.36 0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.00 0.04 0.03 -0.01 0.00 0.04 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.03 -0.02 0.00 -0.02 0.00 0.00 -0.01 -0.06 0.00 0.01 0.00 -0.00 0.03 0.02 -0.01 -0.01 0.01 -0.03 -0.09 -0.03 -0.12 -0.01 -0.28 0.23 0.08 0.13 0.30 0.01 -0.01 -0.05 -0.15 -0.10 -0.19 -0.37 0.18 0.44 0.29 -0.04 0.45 0.12 -0.02 -0.02 -0.04 0.12 0.00 -0.13 -0.12 0.02 0.16 0.09 -0.02 -0.07 0.03 0.01 -0.03 -0.12 0.00 -0.40 0.28 0.06 -0.03 -0.06 0.00 0.10 0.16 -0.01 -0.07 0.40 0.02 -0.08 -0.00 0.01 0.06 0.16 -0.01 0.16 0.04 -0.03 0.24 -0.22 -0.04 0.05 -0.47 -0.01 0.02 -0.06 -0.00 0.01 -0.04 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.02 -0.03 0.02 -0.01 0.01 0.02 0.00 0.01 0.01 -0.00 0.02 0.02 0.05 -0.07 -0.07 -0.05 0.02 -0.09 0.08 -0.13 -0.02 0.02 0.14 -0.00 -0.14 -0.08 0.02 -0.09 -0.08 0.01 0.06 -0.07 -0.01 -0.03 0.23 0.01 -0.25 0.04 0.04 -0.04 0.12 0.01 -0.11 -0.20 0.01 -0.00 -0.41 -0.01 0.20 -0.17 -0.03 -0.07 0.18 0.01 -0.27 0.00 0.04 -0.40 0.19 0.06 -0.10 -0.37 0.02 0.09 -0.03 -0.01 0.00 -0.04 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.02 0.01 0.02 -0.04 -0.02 -0.02 0.01 -0.04 0.31 -0.16 -0.05 -0.25 0.11 0.03 0.12 -0.20 -0.02 -0.15 0.21 0.02 0.09 -0.05 -0.01 -0.10 0.15 0.02 -0.44 0.27 0.07 0.03 -0.09 -0.00 0.00 -0.11 -0.01 -0.10 -0.13 0.01 -0.07 0.13 0.01 -0.03 -0.30 0.00 0.04 -0.08 -0.01 0.13 0.02 -0.02 0.01 0.37 0.01 0.05 0.17 -0.01 0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.02 0.01 0.02 -0.01 -0.14 -0.04 0.02 0.15 0.08 -0.01 0.02 -0.14 -0.00 0.01 0.12 -0.00 -0.21 -0.26 0.03 0.12 0.28 -0.01 0.17 -0.23 -0.03 0.21 0.01 -0.03 0.41 0.10 -0.06 0.18 -0.33 -0.03 -0.23 0.05 0.04 0.09 0.05 -0.01 -0.12 -0.22 0.02 0.18 -0.24 -0.03 0.09 -0.13 -0.01 -0.07 -0.04 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.13 -0.02 -0.02 -0.13 -0.03 0.01 0.18 0.08 -0.03 -0.25 -0.16 0.04 0.18 0.11 -0.02 -0.08 -0.07 0.01 -0.14 0.13 0.02 0.33 0.15 -0.05 -0.24 -0.15 0.03 -0.10 0.05 0.01 -0.23 -0.03 0.04 0.11 0.22 -0.02 -0.35 -0.28 0.05 0.06 -0.25 -0.01 0.09 -0.28 -0.02 -0.15 -0.16 0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 0.04 -0.00 -0.02 -0.02 -0.00 0.04 -0.01 0.03 0.05 -0.01 -0.32 -0.44 0.60 -0.28 0.09 -0.26 0.30 -0.24 -0.19 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 -0.01 0.00 -0.48 -0.13 0.48 -0.05 -0.27 -0.30 -0.07 0.55 -0.19 -0.00 -0.00 0.00 0.02 0.03 -0.05 0.02 -0.01 0.02 -0.02 0.02 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.07 -0.02 0.07 0.01 0.02 0.02 0.01 -0.09 0.03 -0.04 0.01 0.08 0.22 0.31 -0.39 -0.28 0.08 -0.23 0.50 -0.44 -0.31 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.05 0.07 0.50 0.12 -0.47 -0.05 -0.18 -0.18 -0.10 0.61 -0.21 -0.00 0.00 0.01 0.03 0.05 -0.06 -0.04 0.01 -0.04 0.07 -0.06 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.02 0.08 0.09 -0.01 0.06 -0.02 -0.07 0.04 -0.03 -0.06 -0.06 0.08 0.60 -0.17 0.55 0.34 -0.30 -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.05 -0.08 -0.04 0.07 0.15 0.56 0.64 -0.06 0.42 -0.16 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.08 0.02 -0.08 -0.04 0.04 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.08 0.00 0.01 -0.01 0.02 0.00 -0.08 -0.12 0.01 0.97 -0.03 -0.16 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.03 0.00 0.03 0.00 -0.00 0.39 0.71 -0.03 0.00 -0.00 -0.00 0.21 -0.33 -0.03 -0.41 -0.02 0.06 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.02 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.06 -0.01 -0.02 0.00 0.00 0.24 0.44 -0.02 -0.01 0.01 0.00 -0.43 0.70 0.07 0.19 0.01 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 -0.10 -0.01 0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.03 0.05 -0.00 0.04 -0.07 -0.01 -0.06 0.09 0.01 0.05 0.00 -0.01 0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.48 0.81 0.07 -0.13 -0.23 0.02 -0.06 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 0.00 -0.08 -0.01 0.01 0.13 0.24 -0.01 -0.00 0.00 0.00 0.19 -0.32 -0.03 0.87 0.05 -0.12 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.02 -0.00 -0.01 0.01 0.00 -0.02 -0.00 0.00 -0.05 -0.07 0.01 -0.01 0.00 0.00 -0.14 0.23 0.02 0.49 0.81 -0.08 0.13 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 6 1 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 6 1 1 1 6 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 14.00307 11.00931 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 169.10628 1440.19107 2546.94146 3817.54281 0.09807 0.99315 0.06355 0.99502 -0.099 0.01166 -0.01787 -0.06208 0.99791 asymmetric 1 0.06014 0.03401 0.02269 1.25313 0.70859 0.47275 539282.5 68.63 93.82 123.96 210.88 255.19 260.93 278.63 398.11 458.76 524.40 622.97 642.29 652.06 702.73 784.16 798.93 827.13 950.02 957.85 1003.57 1131.15 1168.42 1192.01 1199.16 1220.62 1240.84 1271.79 1329.06 1384.47 1424.69 1435.05 1457.75 1473.14 1534.00 1580.20 1649.54 1660.12 1687.71 1750.65 1794.45 1852.61 1866.76 1932.13 1944.51 1968.52 2044.17 2072.70 2092.78 2111.35 2121.09 2140.62 2147.31 2199.37 2255.10 2380.87 2418.29 2450.92 4368.31 4385.68 4474.38 4488.07 4535.54 4543.07 4578.66 4605.33 4614.10 4617.17 4648.27 4664.04 0.205402 0.217169 0.218114 0.167272 -505.662877 -505.651109 -505.650165 -505.701007 136.276 45.371 107.005 0.000 0.000 0.000 0.889 2.981 41.284 0.889 2.981 31.016 134.498 39.410 34.705 1 0.595 1.978 4.911 2 0.597 1.971 4.293 3 0.601 1.959 3.745 4 0.617 1.906 2.716 5 0.628 1.870 2.356 6 0.630 1.865 2.314 7 0.635 1.849 2.193 8 0.678 1.717 1.554 9 0.705 1.638 1.316 10 0.738 1.545 1.103 11 0.794 1.398 0.849 12 0.806 1.369 0.807 13 0.812 1.354 0.786 14 0.844 1.276 0.688 15 0.900 1.151 0.555 16 0.911 1.128 0.533 17 0.931 1.086 0.495 0.114893e-76 -76.939707 -177.160222 0.345543e+18 17.538502 40.383893 0.992299e-91 -91.003357 -209.542974 1 0.433501e+01 0.636990 1.466723 2 0.316465e+01 0.500326 1.152043 3 0.238790e+01 0.378016 0.870414 4 0.138481e+01 0.141389 0.325561 5 0.113345e+01 0.054402 0.125264 6 0.110696e+01 0.044131 0.101616 7 0.103210e+01 0.013721 0.031594 8 0.696044e+00 -0.157363 -0.362343 9 0.589962e+00 -0.229176 -0.527697 10 0.501385e+00 -0.299828 -0.690381 11 0.401469e+00 -0.396348 -0.912626 12 0.385260e+00 -0.414247 -0.953838 13 0.377405e+00 -0.423192 -0.974436 14 0.339938e+00 -0.468600 -1.078991 15 0.289314e+00 -0.538630 -1.240242 16 0.281179e+00 -0.551017 -1.268764 17 0.266422e+00 -0.574430 -1.322673 0.298436e+04 3.474851 8.001141 1 0.486375e+01 0.686971 1.581809 2 0.370391e+01 0.568660 1.309388 3 0.293969e+01 0.468301 1.078303 4 0.197231e+01 0.294975 0.679204 5 0.173883e+01 0.240258 0.553213 6 0.171464e+01 0.234174 0.539205 7 0.164683e+01 0.216650 0.498855 8 0.135702e+01 0.132585 0.305288 9 0.127334e+01 0.104944 0.241644 10 0.120809e+01 0.082098 0.189038 11 0.114123e+01 0.057374 0.132107 12 0.113121e+01 0.053543 0.123287 13 0.112645e+01 0.051710 0.119068 14 0.110461e+01 0.043211 0.099496 15 0.107767e+01 0.032486 0.074801 16 0.107364e+01 0.030858 0.071054 17 0.106655e+01 0.027982 0.064431 0.100000e+01 0.000000 0.000000 0.864358e+08 7.936693 18.274912 0.133954e+07 6.126957 14.107840 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.2469 2.0959 0.1745 2.4450 -64.1382 -61.4940 -79.2834 -3.0373 -2.5569 -0.4518 4.1670 6.8112 -10.9782 -3.0373 -2.5569 -0.4518 428.6525 -145.6281 4.8310 139.6319 -48.2034 11.5314 175.2199 -78.6976 1.5368 -1.3378 -2890.9491 -2119.7911 -164.1129 326.7540 -40.0443 306.9354 1.3542 20.7345 18.3914 -837.3554 -614.0191 -459.5509 11.9518 -16.5155 162.4098 0 -505.8682786 3.1E-9 3.69E-6 0.2054018 0.2171694 -505.6511092 -505.650165 -505.7010066 3.098066,5.0639796,-8.1620456,-2.2581313,-1.9010237,-0.3358868 C01 [X(C11H12B1N1)] -0.4905694 0.8245919 0.0686647 -0.0302812 -0.1332631 -0.0026583 0.0968911 0.1981408 0.0129348 0.0476557 -0.0619409 -0.1192046 -0.3668345 0.305446 -0.0155957 0.156788 -0.5964993 -0.0140014 -0.0156616 -0.0826935 -0.1763027 0.1700328 0.1656189 -0.0074094 0.220014 0.3227007 -0.0508708 -0.0694619 0.0636551 0.1141893 -0.1246325 0.1369816 0.0242155 -0.0959351 -0.3709139 0.0124167 0.0298999 -0.0091127 0.0657654 0.1261118 0.0524036 -0.0405205 -0.0646651 0.1049599 0.0152281 -0.043941 -0.0081457 -0.1314424 0.1539113 -0.0938629 -0.0440343 -0.1018235 -0.2776864 0.0137127 -0.0444181 0.0232146 -0.1175896 0.0445158 -0.0903639 -0.0007674 -0.1076872 -0.0787669 0.0100512 0.0009517 0.0121094 0.1091105 0.3202416 -0.0364784 -0.0646146 0.102655 0.2882024 -0.0149897 -0.0518436 0.0078509 -0.0993061 0.0276024 0.040519 0.0154555 0.1132602 -0.0691091 -0.0191552 0.0179741 -0.0132589 0.1239185 -0.1309468 0.0021694 0.0355151 -0.0052474 0.0693847 0.0016869 0.0356951 0.003649 0.1278748 -0.465846 0.0800185 0.0538229 0.2653197 0.023136 -0.0371803 0.0541059 -0.0226357 -0.1273148 0.5226866 -0.0523848 -0.0891854 -0.3160249 0.3235557 0.0475767 -0.0874828 0.012895 0.0415505 0.0322627 0.1111718 0.0134921 0.0493136 -0.0465377 -0.0078434 0.0116101 -0.0149293 0.1203174 0.0336907 -0.0884084 0.0153427 -0.0949219 -0.0553021 0.0154587 0.0175144 0.0134399 0.1328903 -0.1641132 -0.0355252 0.0430859 -0.001188 0.060993 -0.000208 0.0411126 0.0102535 0.086462 -0.4330055 -0.0683623 0.0238948 -0.0034789 -0.6395088 0.0158254 0.031476 0.0187648 -0.3104916 0.9730979 -0.3418124 0.2381536 -0.2221279 1.5673829 0.1320642 0.2037811 0.1547692 0.5142238 -0.6493914 0.1938573 -0.163871 0.0284505 -0.1432024 -0.0147654 -0.0229273 -0.0899382 -0.1614633 0.0010645 -0.0069354 0.0948104 -0.0167305 0.0970167 0.0157776 0.0355032 0.0483698 -0.0067779 0.0813609 -0.0618899 -0.0433937 -0.0262658 -0.0084731 -0.0997287 -0.0475131 -0.1149863 -0.051427 0.0789978 0.0589544 -0.0122271 0.0689461 -0.1921209 0.0758495 -0.0518506 0.0996934 0.0312028 -0.1633537 -0.2093583 -0.0538254 -0.1562715 -0.6765342 -0.1688917 -0.0769588 -0.0160097 -0.1291481 0.0501354 -0.0673902 0.048622 -0.0165624 0.0080279 0.0873797 0.0467732 0.0428419 -0.0376925 -0.0758902 0.0284769 -0.1238755 0.0266685 0.1003658 0.022973 -0.1063741 0.0216119 -0.0327212 -0.0114172 0.1104179 0.0555681 0.1006233 -0.0092115 -0.0513007 0.0443801 -0.0994674 0.0333765 186.3261803|13.7186537|193.8799531|-12.90356|-1.5274262|67.9763709 0.000002933 -0.000006352 0.000000043 -0.000003330 0.000005452 0.000001664 0.000001289 0.000001575 0.000000285 -0.000000070 -0.000002475 0.000001643 -0.000003939 -0.000002762 -0.000000665 0.000000714 0.000002034 0.000001565 0.000001879 -0.000001218 -0.000000092 -0.000002481 0.000001264 0.000000864 -0.000001979 -0.000002238 0.000002220 -0.000000566 -0.000002793 0.000000244 -0.000003961 0.000000145 -0.000002780 -0.000000454 -0.000000325 0.000009989 -0.000002856 -0.000000514 0.000002021 -0.000003166 0.000001733 0.000000339 -0.000002791 0.000002608 -0.000004013 -0.000000223 -0.000003689 -0.000002894 -0.000002747 -0.000004303 -0.000005914 0.000005980 0.000017133 -0.000005952 0.000001470 -0.000002018 -0.000000877 -0.000000558 -0.000001439 0.000002520 0.000003933 -0.000000208 0.000000526 0.000003242 0.000000910 0.000010288 0.000001723 -0.000002080 -0.000005163 0.000001986 -0.000001037 -0.000002380 0.000003971 0.000000599 -0.000003480 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0117,.0606,.165;-2.6385,.0655,.0002;-1.9853,1.3389,-.0834;-2.7418,2.5388,.0313;-4.1437,2.4664,.2366;-4.7668,1.2488,.3015;-4.5384,-.8895,.2088;-2.0552,3.7736,-.0737;-4.7101,3.389,.3306;-5.8403,1.1897,.45;-.7029,3.7739,-.285;-.0415,2.5287,-.3964;-2.6124,4.7027,.0106;-.1401,4.6966,-.3724;1.033,2.5084,-.5719;-.6389,1.3631,-.3065;-1.8708,-1.3111,.0004;-.4818,-1.4982,.7173;.2898,-1.3001,-.0398;-.2939,-.7863,1.525;-.328,-2.5217,1.0768;-2.5487,-2.576,-.6624;-2.9878,-3.1815,.1451;-3.3433,-2.3593,-1.3818;-1.8031,-3.2236,-1.1372; Gaussian 16 GINC-IRENE3395 ZOUBRITL Napht_Me ES64L-G16RevC.01 25-Mar-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FOpt # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSymm Freq Opt=(MaxStep=4,ReadFC) Pop=(Regular,Orbitals=20,CHelpG) Guess=TCheck Geom=Check 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0117,.0606,.165;-2.6385,.0655,.0002;-1.9853,1.3389,-.0834;-2.7418,2.5388,.0313;-4.1437,2.4664,.2366;-4.7668,1.2488,.3015;-4.5384,-.8895,.2088;-2.0552,3.7736,-.0737;-4.7101,3.389,.3306;-5.8403,1.1897,.45;-.7029,3.7739,-.285;-.0415,2.5287,-.3964;-2.6124,4.7027,.0106;-.1401,4.6966,-.3724;1.033,2.5084,-.5719;-.6389,1.3631,-.3065;-1.8708,-1.3111,.0004;-.4818,-1.4982,.7173;.2898,-1.3001,-.0398;-.2939,-.7863,1.525;-.328,-2.5217,1.0768;-2.5487,-2.576,-.6624;-2.9878,-3.1815,.1451;-3.3433,-2.3593,-1.3818;-1.8031,-3.2236,-1.1372; NProcShared=64 Mem=60GB OldChk=Napht_Me-DZ.chk Chk=Napht_Me.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/6=300,8=4,10=3,18=20,19=15,26=3,29=2,38=1/1,3 2/9=110,12=2,15=1,40=1/2 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,70=2201,71=1,72=13,74=-58,116=-2/1,2,3 4/5=101/1 5/5=2,7=300,38=6,53=13/2 6/15=8,20=3,28=1,96=20/1,2 7/30=1/1,2,3,16 1/6=300,8=4,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,14=-2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=300,38=5,53=13/2 7/30=1/1,2,3,16 1/6=300,8=4,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/15=8,19=2,20=3,28=1,96=20/1,2 99/9=1/99 Napht_Me Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "Napht_Me.chk" Charge = 0 Multiplicity = 1 Berny optimization. Berny optimization. local minimum Step number 5 out of a maximum of 150 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00043 0.00158 0.00565 0.01187 0.01402 0.01609 0.01617 0.01849 0.01856 0.02196 0.02272 0.02485 0.02622 0.02708 0.02755 0.03014 0.03136 0.03942 0.03981 0.04188 0.05267 0.05279 0.09867 0.10598 0.10857 0.11053 0.11143 0.11204 0.11480 0.11673 0.12142 0.12463 0.12888 0.13598 0.14736 0.16372 0.18364 0.18639 0.19694 0.20346 0.21070 0.21633 0.23314 0.24677 0.26239 0.27460 0.28703 0.29419 0.33370 0.33887 0.34244 0.34361 0.34875 0.35050 0.35652 0.36272 0.36349 0.36523 0.36734 0.37005 0.39243 0.40854 0.41438 0.44633 0.45593 0.49952 0.52718 0.54677 0.59477 -6.70244877e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 2.60861 2.67054 2.05218 2.70468 2.97864 2.68432 2.57688 2.67841 2.67369 2.58276 2.05100 2.04884 2.58179 2.05125 2.66991 2.04680 2.05524 2.47521 2.96694 2.97903 2.07673 2.06298 2.06987 2.08003 2.06490 2.06833 2.13787 2.08304 2.06215 2.05312 2.07327 2.15477 2.09633 2.06559 2.12086 2.08750 2.06092 2.13473 2.09602 2.07689 2.11021 2.09470 2.08860 2.09987 2.08332 2.08456 2.11529 2.06571 2.12401 2.09345 2.08461 2.16788 2.03069 2.06754 2.13101 2.07854 2.07104 1.85819 2.00140 1.95802 1.85379 1.86223 1.92067 1.87039 2.00867 1.95480 1.87127 1.84097 1.90780 -0.04508 3.03056 3.11348 -0.09407 0.03063 -3.11830 -3.12773 0.00653 0.02689 -3.08473 -3.04541 0.12615 -2.37580 0.68739 0.69575 -2.52425 0.00502 -3.12799 3.11567 -0.01734 3.12786 0.01668 -0.02049 3.13353 3.11214 -0.01702 0.00627 -3.14072 -3.12649 0.00971 0.00358 -3.13064 3.13250 -0.00171 0.00455 3.13988 -3.13155 0.00379 3.13270 -0.00556 -0.00275 -3.14101 -0.00513 3.13970 -1.71299 0.33153 2.53922 1.50668 -2.73198 -0.52429 -1.64306 0.43600 2.62916 1.42284 -2.78129 -0.58812 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00007 -0.00004 -0.00004 -0.00005 0.00001 -0.00007 -0.00005 -0.00004 -0.00005 -0.00008 -0.00004 -0.00003 -0.00007 -0.00004 -0.00005 -0.00003 -0.00004 -0.00009 -0.00013 -0.00012 0.00000 -0.00002 -0.00003 -0.00000 -0.00003 -0.00003 -0.00001 0.00001 0.00000 0.00001 -0.00005 0.00003 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00000 0.00002 -0.00005 -0.00003 0.00007 -0.00011 0.00003 0.00005 -0.00002 0.00000 0.00004 -0.00012 0.00001 0.00009 -0.00002 -0.00002 0.00005 -0.00006 -0.00018 -0.00007 -0.00019 0.00002 0.00002 0.00003 0.00003 0.00005 0.00008 0.00018 0.00022 0.00027 0.00017 0.00014 0.00003 -0.00000 0.00001 -0.00004 -0.00002 -0.00003 0.00000 -0.00003 -0.00001 -0.00005 -0.00003 0.00002 0.00001 0.00004 0.00003 0.00002 0.00002 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00002 -0.00001 -0.00001 0.00002 0.00002 0.00017 0.00009 0.00021 0.00028 0.00020 0.00032 0.00049 0.00038 0.00053 0.00038 0.00027 0.00042 0.00004 0.00003 0.00003 0.00003 -0.00003 0.00005 0.00005 0.00003 0.00004 0.00006 0.00003 0.00003 0.00005 0.00003 0.00004 0.00003 0.00003 0.00006 0.00006 0.00008 0.00001 0.00001 0.00002 0.00001 0.00003 0.00001 -0.00000 -0.00002 0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00002 -0.00000 -0.00003 0.00002 0.00000 -0.00001 -0.00013 0.00007 0.00005 0.00002 -0.00001 -0.00000 -0.00000 -0.00003 0.00002 -0.00001 0.00002 0.00001 -0.00001 0.00008 -0.00000 0.00009 0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00010 -0.00009 0.00005 0.00010 0.00015 0.00020 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00006 0.00003 0.00012 0.00001 -0.00002 0.00007 0.00001 -0.00002 -0.00002 0.00006 0.00003 0.00003 -0.00003 -0.00001 -0.00000 -0.00002 -0.00002 -0.00002 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00006 -0.00004 0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 0.00002 0.00003 -0.00006 0.00003 -0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00004 -0.00003 0.00006 -0.00025 0.00010 0.00010 0.00000 -0.00000 0.00003 -0.00012 -0.00003 0.00011 -0.00003 0.00001 0.00006 -0.00007 -0.00010 -0.00007 -0.00010 0.00004 0.00003 0.00004 0.00003 0.00004 0.00008 0.00008 0.00012 0.00032 0.00027 0.00029 0.00023 0.00001 0.00003 -0.00003 -0.00002 -0.00004 0.00000 -0.00004 -0.00002 -0.00006 -0.00003 0.00002 0.00000 0.00003 0.00002 0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00001 0.00023 0.00012 0.00033 0.00029 0.00018 0.00039 0.00050 0.00036 0.00051 0.00045 0.00030 0.00045 2.60858 2.67052 2.05218 2.70465 2.97862 2.68430 2.57688 2.67840 2.67368 2.58274 2.05099 2.04883 2.58176 2.05124 2.66990 2.04679 2.05523 2.47519 2.96688 2.97899 2.07674 2.06296 2.06986 2.08004 2.06489 2.06831 2.13786 2.08303 2.06218 2.05315 2.07321 2.15480 2.09631 2.06560 2.12087 2.08751 2.06092 2.13473 2.09602 2.07689 2.11021 2.09469 2.08860 2.09987 2.08332 2.08456 2.11530 2.06572 2.12401 2.09344 2.08461 2.16788 2.03069 2.06753 2.13098 2.07851 2.07110 1.85795 2.00150 1.95811 1.85379 1.86223 1.92070 1.87027 2.00864 1.95492 1.87124 1.84097 1.90785 -0.04514 3.03046 3.11341 -0.09417 0.03066 -3.11826 -3.12770 0.00656 0.02693 -3.08465 -3.04533 0.12627 -2.37548 0.68766 0.69603 -2.52402 0.00503 -3.12796 3.11564 -0.01735 3.12782 0.01668 -0.02053 3.13352 3.11209 -0.01706 0.00629 -3.14071 -3.12645 0.00973 0.00360 -3.13061 3.13249 -0.00171 0.00454 3.13987 -3.13154 0.00379 3.13269 -0.00557 -0.00275 -3.14101 -0.00512 3.13971 -1.71276 0.33165 2.53955 1.50697 -2.73180 -0.52390 -1.64256 0.43635 2.62967 1.42329 -2.78099 -0.58767 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000004 0.001068 0.000295 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.568912e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 17 17 18 18 18 22 22 22 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 22 19 20 21 23 24 25 1.3804 1.4132 1.086 1.4313 1.5762 1.4205 1.3636 1.4174 1.4149 1.3667 1.0853 1.0842 1.3662 1.0855 1.4129 1.0831 1.0876 1.3098 1.57 1.5764 1.099 1.0917 1.0953 1.1007 1.0927 1.0945 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 2 2 18 17 17 17 19 19 20 17 17 17 23 23 24 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 17 17 17 18 18 18 18 18 18 22 22 22 22 22 22 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 22 22 19 20 21 20 21 21 23 24 25 24 25 25 122.4911 119.3494 118.1527 117.635 118.7897 123.4592 120.1111 118.3498 121.5161 119.605 118.0823 122.3108 120.0929 118.9969 120.9063 120.0173 119.6677 120.3136 119.3655 119.4364 121.1974 118.3564 121.6968 119.9458 119.4394 124.2106 116.3497 118.4615 122.098 119.0917 118.6617 106.4665 114.672 112.1861 106.2146 106.6977 110.0461 107.1655 115.0881 112.002 107.2161 105.4796 109.3087 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 15 2 2 2 22 22 22 2 2 2 18 18 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 17 17 17 17 17 17 17 17 17 17 17 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 18 18 18 18 18 18 22 22 22 22 22 3 17 3 17 5 10 5 10 4 16 4 16 18 22 18 22 5 8 5 8 12 12 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 3 19 20 21 19 20 21 23 24 25 23 24 -2.5827 173.6383 178.3891 -5.3899 1.7548 -178.6653 -179.2059 0.374 1.5407 -176.7421 -174.4892 7.228 -136.1234 39.3843 39.8633 -144.629 0.2875 -179.2207 178.5148 -0.9934 179.2131 0.9555 -1.1739 179.5383 178.3127 -0.9752 0.3594 -179.9499 -179.1346 0.5561 0.205 -179.3723 179.479 -0.0982 0.2604 179.902 -179.4246 0.2169 179.4906 -0.3185 -0.1575 -179.9665 -0.2941 179.8915 -98.1471 18.9953 145.4866 86.3266 -156.531 -30.0397 -94.1405 24.9808 150.6397 81.5228 -159.3559 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 1 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 7 No pseudopotential on this center. 17 5 No pseudopotential on this center. 18 6 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 1 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 1 No pseudopotential on this center. 25 25 25 1.00e+00 60 F 0.000000 1.383104 0.000000 2.408750 1.433621 0.000000 2.787822 2.475632 1.422998 0.000000 2.410482 2.843577 2.456015 1.418710 0.000000 1.414414 2.453707 2.809386 2.416122 1.369307 0.000000 1.087206 2.136607 3.401375 3.874591 3.379180 2.152503 0.000000 4.203663 3.754385 2.435639 1.416701 2.483238 3.723908 5.290558 0.000000 3.404899 3.930204 3.434889 2.164906 1.086665 2.141131 4.283702 2.712861 0.000000 2.167910 3.423150 3.894571 3.405342 2.134044 1.085382 2.465047 4.612744 2.475597 0.000000 4.993957 4.192888 2.759426 2.404725 3.717626 4.820307 6.058251 1.368777 4.072468 5.797564 0.000000 4.708473 3.601292 2.300477 2.733982 4.151231 4.945075 5.680909 2.389363 4.802580 6.011333 1.414343 0.000000 4.850899 4.637336 3.423042 2.167930 2.719731 4.081100 5.917929 1.086714 2.495700 4.791010 2.143951 3.391443 0.000000 6.063875 5.275216 3.842170 3.404081 4.623100 5.809239 7.133522 2.146836 4.805069 6.742919 1.084296 2.170269 2.501801 0.000000 5.655470 4.446929 3.273662 3.822813 5.239635 5.998931 6.572356 3.374355 5.879929 7.072927 2.167300 1.088927 4.294630 2.490857 0.000000 3.646257 2.403434 1.365059 2.432787 3.714290 4.174024 4.532793 2.805433 4.591847 5.259056 2.411712 1.312831 3.892104 3.371214 2.043837 0.000000 2.547972 1.576161 2.653824 3.947264 4.414885 3.876906 2.708685 5.088526 5.501039 4.713082 5.225197 4.271773 6.059389 6.263117 4.832011 2.960301 0.000000 3.898066 2.758711 3.309211 4.677036 5.418301 5.106815 4.133330 5.558092 6.473958 6.000797 5.371057 4.201205 6.594699 6.299163 4.473206 3.043008 1.574259 0.000000 4.516262 3.231310 3.484663 4.892093 5.823995 5.672966 4.851954 5.589519 6.864701 6.634572 5.176046 3.859671 6.667830 6.021333 3.916703 2.833118 2.161006 1.099018 0.000000 4.048349 2.923682 3.156700 4.390817 5.202011 5.064134 4.445063 5.143017 6.193756 5.985257 4.923309 3.839928 6.148056 5.803976 4.124690 2.844915 2.255374 1.092922 1.747400 0.000000 4.590106 3.631910 4.358568 5.703257 6.336083 5.875383 4.598277 6.628487 7.395627 6.674772 6.452081 5.268679 7.651621 7.364718 5.465576 4.135443 2.237059 1.095654 1.766544 1.792645 0.000000 3.126755 2.724770 3.997400 5.165189 5.364497 4.525253 2.749870 6.395834 6.421731 5.123708 6.623494 5.693418 7.310045 7.666552 6.219974 4.392147 1.580736 2.708733 3.173722 3.615513 2.821196 0.000000 3.400006 3.268920 4.635875 5.726672 5.765694 4.776703 2.767934 7.020691 6.795006 5.228507 7.333707 6.448286 7.894299 8.392930 7.003987 5.135660 2.183333 3.072584 3.783663 3.859819 2.894427 1.100629 0.000000 2.948827 2.878591 4.148140 5.133248 5.152455 4.228302 2.473568 6.401764 6.151744 4.710225 6.766942 5.980477 7.235051 7.814451 6.595678 4.725160 2.275369 3.651808 4.015230 4.496974 3.893934 1.093528 1.770188 0.000000 4.166514 3.579030 4.686175 5.954094 6.304111 5.554792 3.839451 7.081982 7.370991 6.188345 7.134526 6.061425 8.049784 8.128941 6.420167 4.804525 2.226260 2.856905 3.046956 3.912208 2.751403 1.095825 1.746294 1.782973 0.000000 1.2531262 0.7085916 0.4727494 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0036,.0569,.1848;-2.6354,.066,.0022;-1.9863,1.3383,-.0895;-2.7415,2.5345,.0399;-4.1386,2.4595,.2661;-4.7574,1.2428,.3349;-4.5281,-.8929,.2317;-2.059,3.7686,-.0745;-4.7048,3.3796,.371;-5.8275,1.1815,.4977;-.7133,3.7707,-.3104;-.0524,2.5284,-.4372;-2.6145,4.6962,.0215;-.1538,4.6931,-.4062;1.0172,2.5096,-.6333;-.6457,1.365,-.3373;-1.8612,-1.307,-.0038;-.5046,-1.5032,.7619;.2939,-1.3849,.0162;-.3085,-.7617,1.5387;-.4041,-2.5134,1.1731;-2.5165,-2.5533,-.7126;-3.0577,-3.1194,.0608;-3.2349,-2.3137,-1.5003;-1.764,-3.2434,-1.1068; 0.000000 1.380415 0.000000 2.405590 1.431254 0.000000 2.784368 2.471061 1.420480 0.000000 2.407805 2.838719 2.452729 1.417352 0.000000 1.413186 2.449172 2.804981 2.412350 1.366735 0.000000 1.085968 2.134100 3.397345 3.869873 3.375161 2.150491 0.000000 4.198293 3.747977 2.431407 1.414856 2.480820 3.718650 5.283906 0.000000 3.400949 3.924026 3.430519 2.162937 1.085345 2.137703 4.278406 2.711033 0.000000 2.165487 3.417563 3.888980 3.400584 2.130560 1.084197 2.462271 4.606735 2.471443 0.000000 4.986359 4.185297 2.754219 2.400873 3.712713 4.812584 6.049401 1.366222 4.068020 5.788945 0.000000 4.701926 3.595645 2.297287 2.731103 4.146930 4.938241 5.673176 2.386692 4.798168 6.003403 1.412853 0.000000 4.845639 4.630333 3.417965 2.165555 2.717691 4.076336 5.911414 1.085477 2.495014 4.785789 2.140369 3.387369 0.000000 6.055201 5.266436 3.835776 3.399227 4.617364 5.800608 7.123555 2.143535 4.800095 6.733486 1.083121 2.167277 2.497597 0.000000 5.647501 4.440338 3.269409 3.818586 5.233967 5.990688 6.563191 3.370574 5.874236 7.063552 2.165521 1.087585 4.289470 2.488095 0.000000 3.641370 2.400312 1.363625 2.429470 3.709825 4.168073 4.527098 2.800718 4.586533 5.251898 2.406812 1.309827 3.886160 3.364999 2.040357 0.000000 2.546723 1.576227 2.649645 3.941280 4.409776 3.873516 2.709076 5.079923 5.494545 4.709157 5.214802 4.262623 6.050351 6.251252 4.821580 2.954306 0.000000 3.874250 2.753091 3.315757 4.671968 5.399505 5.080221 4.103828 5.559421 6.452513 5.967485 5.385776 4.230343 6.590308 6.315147 4.512715 3.074759 1.570038 0.000000 4.536080 3.268949 3.553384 4.957372 5.872763 5.702800 4.851777 5.665947 6.914660 6.655110 5.263173 3.954665 6.740833 6.109072 4.013960 2.927362 2.156589 1.098957 0.000000 4.019619 2.908697 3.142656 4.362422 5.163908 5.025935 4.419306 5.117678 6.151504 5.943069 4.911771 3.846370 6.116262 5.793225 4.144458 2.855837 2.255592 1.091681 1.751992 0.000000 4.532048 3.605930 4.351211 5.676996 6.284825 5.810551 4.529777 6.615024 7.339329 6.597137 6.464178 5.304365 7.628267 7.381742 5.523888 4.169062 2.227900 1.095328 1.760444 1.791998 0.000000 3.135310 2.717707 3.976719 5.148085 5.358901 4.530956 2.774003 6.370487 6.415747 5.135856 6.588337 5.654376 7.287301 7.628043 6.174655 4.358183 1.576437 2.706371 3.129627 3.626799 2.831857 0.000000 3.316483 3.213845 4.587167 5.662807 5.686406 4.689682 2.673644 6.961375 6.711620 5.134294 7.287505 6.417057 7.828338 8.347868 6.983763 5.107479 2.172769 3.101984 3.774146 3.911745 2.940453 1.100704 0.000000 3.008342 2.877455 4.109318 5.110821 5.169168 4.281886 2.586632 6.356853 6.170503 4.788540 6.692809 5.891083 7.199992 7.732108 6.488145 4.646404 2.267140 3.637115 3.951535 4.495348 3.898715 1.092698 1.765645 0.000000 4.192443 3.597451 4.698612 5.971171 6.328318 5.582612 3.867406 7.093744 7.395686 6.218311 7.136936 6.057419 8.064421 8.128477 6.407516 4.804171 2.230681 2.847191 2.991665 3.908510 2.753201 1.094512 1.747164 1.784058 0.000000 1.2540993 0.7090254 0.4758505 -10.30195 -10.30065 -10.29887 -10.29694 -10.27672 -10.24755 -10.23953 -6.84382 -1.05457 -0.95853 -0.91581 -0.85821 -0.84883 -0.80059 -0.76612 -0.74481 -0.73010 -0.70055 -0.62434 -0.61189 -0.60432 -0.55083 -0.54175 -0.52106 -0.51366 -0.50533 -0.50260 -0.49437 -0.48393 -0.46415 -0.46010 -0.45607 -0.43753 -0.43685 -0.39882 -0.39069 -0.38340 -0.34169 -0.33184 -0.31134 -0.00611 0.03613 0.03825 0.04315 0.04643 0.04906 0.06244 0.06374 0.06742 0.07895 0.08241 0.08687 0.09201 0.09548 0.09854 0.10669 0.11507 0.11802 0.12364 0.12829 0.13642 0.14135 0.14728 0.15009 0.15917 0.16065 0.16439 0.16834 0.17158 0.17601 0.17737 0.18468 0.18618 0.18888 0.19324 0.19537 0.20125 0.20465 0.20608 0.21269 0.21320 0.21798 0.22189 0.22550 0.23047 0.23224 0.23871 0.24290 0.24749 0.25194 0.25477 0.25890 0.26476 0.27645 0.28053 0.28485 0.28621 0.29061 0.29417 0.29486 0.30428 0.30598 0.31428 0.31866 0.32850 0.33288 0.34087 0.34400 0.34901 0.35270 0.35860 0.36157 0.36758 0.37142 0.37436 0.37936 0.38526 0.39200 0.39987 0.40324 0.40836 0.41295 0.42509 0.43363 0.43976 0.44631 0.45591 0.46111 0.48231 0.50178 0.53352 0.55317 0.56358 0.56998 0.58083 0.58408 0.59938 0.60569 0.61050 0.62740 0.63804 0.64071 0.64707 0.65503 0.65715 0.66161 0.66988 0.68041 0.68176 0.69158 0.69608 0.70875 0.71515 0.71578 0.73733 0.73838 0.75029 0.76695 0.77384 0.78355 0.78911 0.79734 0.80088 0.80983 0.82684 0.83046 0.83631 0.84539 0.85772 0.86528 0.87116 0.87681 0.88986 0.90785 0.91659 0.93432 0.93825 0.94632 0.96478 0.96864 0.98205 0.99436 1.00021 1.00756 1.01956 1.02424 1.03935 1.05136 1.06180 1.06685 1.08464 1.10542 1.11656 1.13332 1.14382 1.15709 1.16137 1.17669 1.18235 1.19144 1.21143 1.22548 1.23080 1.26199 1.28623 1.30344 1.32483 1.37885 1.38926 1.39608 1.42346 1.44062 1.46581 1.52895 1.53999 1.55102 1.57264 1.58889 1.59581 1.61178 1.61997 1.62835 1.63625 1.64736 1.65989 1.66813 1.67276 1.70376 1.71133 1.72146 1.74458 1.75978 1.77325 1.78595 1.79243 1.80412 1.80919 1.82062 1.82181 1.83194 1.85396 1.87364 1.87631 1.88069 1.90640 1.93954 1.95834 1.97526 1.97915 1.99682 2.00197 2.00637 2.01750 2.04126 2.04596 2.06185 2.07059 2.08303 2.12092 2.12412 2.15928 2.17009 2.18416 2.21694 2.22979 2.23640 2.25172 2.28421 2.31207 2.32073 2.34450 2.35772 2.38888 2.42398 2.44276 2.47455 2.50275 2.52231 2.54010 2.55015 2.56764 2.57324 2.58651 2.60072 2.60753 2.64154 2.66812 2.67490 2.67776 2.69232 2.71250 2.71553 2.75746 2.76630 2.77052 2.79744 2.80624 2.81097 2.81699 2.82716 2.82993 2.84049 2.84626 2.85421 2.85546 2.87444 2.89325 2.90870 2.92750 2.93428 2.96564 2.97971 3.01614 3.03382 3.06072 3.08590 3.12268 3.13303 3.14546 3.16421 3.20530 3.31103 3.34997 3.43414 3.45180 3.48845 3.51106 3.58941 3.61502 3.62773 3.67689 3.71940 3.76607 3.78068 3.85166 3.87603 3.94077 3.96758 4.04566 4.05639 4.08332 4.12750 4.14476 4.16469 4.27285 4.29002 4.58336 4.64789 4.93172 5.35684 14.79963 23.72401 23.96492 24.05589 24.08157 24.13108 24.13549 24.14601 24.17687 24.23655 24.28867 24.31326 35.83673 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.39069 -0.38340 -0.34169 -0.33184 -0.31134 -0.00611 0.03613 0.03825 0.04315 0.04643 -0.00669 -0.00452 -0.00059 -0.00066 0.00195 -0.00311 -0.00383 0.00459 -0.00678 0.00651 -0.01073 -0.00715 -0.00096 -0.00109 0.00312 -0.00499 -0.00624 0.00758 -0.01107 0.01056 0.05366 0.02372 -0.00601 -0.01184 0.00537 0.01817 -0.00408 0.01149 0.02172 0.00601 -0.04069 -0.00146 0.01808 0.00422 -0.00215 -0.00528 -0.00136 0.00882 -0.00622 0.01993 -0.00254 -0.04138 0.00802 -0.10216 0.07735 0.08449 -0.08350 0.01595 0.07523 -0.01192 0.02885 0.01984 0.00256 0.00396 -0.00949 0.01487 0.02008 -0.02898 0.03703 -0.03192 0.07731 0.03085 -0.00658 -0.01918 0.01013 0.02628 -0.00679 0.01446 0.03204 0.00290 -0.05897 -0.00273 0.02463 0.00666 -0.00313 -0.00829 -0.00169 0.01311 -0.01261 0.02248 -0.00272 -0.06494 0.01203 -0.16381 0.12235 0.13344 -0.12840 0.02694 0.11569 -0.01597 0.04338 0.04385 0.00576 -0.00418 -0.01612 0.02897 0.03718 -0.01693 0.06383 -0.15252 0.04698 0.03833 -0.01231 -0.02059 0.00440 0.04039 -0.04267 0.02160 0.02407 0.04587 -0.03226 0.00123 0.05969 0.00672 -0.00763 0.00233 0.02282 0.03813 0.01533 0.07227 -0.00052 -0.05821 0.01373 -0.14789 0.12195 0.20066 -0.22950 0.03264 0.20099 -0.04598 -0.01211 0.18938 -0.06378 0.08880 -0.01976 -0.28251 -2.47306 -15.03745 0.44732 -3.28817 -0.05588 0.01290 -0.14792 -0.09592 0.08895 0.18055 -1.31858 -2.76332 0.18703 0.65311 0.06845 0.03580 0.15801 0.07206 -0.11285 -0.05438 0.29121 -0.36128 0.19655 0.87945 0.00660 0.00186 0.02160 -0.00113 -0.00101 0.20234 -0.14819 0.36968 0.10166 0.04148 -0.00027 0.00076 -0.00030 -0.00207 -0.00465 0.00586 0.00328 0.00131 0.00222 0.00099 0.00024 -0.00209 0.00054 0.00553 0.01940 -0.02079 -0.00765 0.00117 -0.00149 0.00074 -0.00179 -0.00238 0.00102 -0.00929 -0.00747 0.00687 0.01496 -0.00140 -0.00005 -0.00006 0.00298 0.00219 0.00070 0.00086 0.00199 -0.00254 -0.00096 -0.00393 0.00027 -0.00382 0.02136 -0.00098 -0.00994 -0.00264 0.00025 0.00220 0.00319 0.00427 0.00286 0.00315 0.02251 0.00013 0.00447 -0.00073 0.00176 -0.00068 -0.00064 0.00239 0.00001 0.00225 0.03625 0.00027 0.00694 -0.00118 0.00286 -0.00110 -0.00098 0.00402 0.00011 0.00388 -0.08159 -0.02880 -0.00108 -0.00063 0.01524 -0.01397 -0.00134 -0.00109 -0.01021 -0.00125 0.12163 -0.00783 -0.06192 -0.00626 0.01136 -0.00145 -0.00293 0.00483 0.00324 0.00124 0.01577 -0.02366 0.00622 -0.00434 0.12612 -0.09658 -0.00534 -0.00377 -0.02916 0.00322 -0.09560 -0.00125 -0.02050 0.00336 -0.00769 0.00338 0.00042 -0.01714 -0.00291 -0.02051 -0.11947 -0.04291 -0.00246 -0.00105 0.02423 -0.02051 -0.00311 -0.00267 -0.01760 -0.00596 0.18090 -0.01176 -0.08638 -0.00890 0.01718 -0.00197 -0.00354 0.00863 0.00288 -0.00093 0.02456 -0.03741 0.01084 -0.00676 0.20188 -0.14922 -0.00847 -0.00765 -0.04715 0.00337 -0.18088 0.01114 -0.10491 0.00587 -0.01748 0.00171 0.05160 0.01002 0.06054 0.08957 -0.09872 0.00410 -0.03259 -0.00587 0.01240 -0.03405 0.00241 0.02050 0.00876 0.04730 0.10772 0.01381 -0.13977 -0.01277 0.01498 -0.01022 -0.04296 -0.06431 0.05646 -0.00181 0.02206 -0.03401 0.01213 -0.00724 0.20294 -0.25155 -0.01145 -0.00373 -0.07959 0.01406 0.22065 0.04859 -0.04230 0.18998 -0.17303 -0.00473 0.86947 -5.20879 2.09537 6.82206 -0.06796 0.06306 -0.23647 -0.03996 0.09475 -0.22449 -1.55302 -4.54078 -0.21824 2.06046 0.01524 0.01638 -0.16889 -0.01164 0.07995 -0.10428 -1.06303 -5.96477 0.58831 -1.04008 0.00821 -0.01306 0.03132 0.01983 0.04004 -0.37425 0.25895 0.49674 0.19640 -0.48058 -0.00263 -0.00034 0.00000 -0.00362 0.00215 0.00164 -0.00489 0.00343 0.00240 -0.00036 -0.00035 0.00406 -0.00055 0.01664 -0.00882 -0.01205 0.01820 -0.00431 -0.01916 0.00223 0.00071 -0.00841 0.00032 0.01099 0.00375 0.00424 0.02486 0.00186 0.01571 -0.00026 0.00305 0.01237 -0.00550 0.00262 -0.00565 0.00604 0.00915 0.00257 0.01021 -0.00117 0.01099 -0.00685 -0.00962 0.00053 0.00433 -0.00303 -0.00043 -0.00389 -0.00428 -0.00308 -0.00164 0.00444 0.01361 0.00063 -0.00277 0.00233 0.00238 0.00611 0.00346 -0.00101 -0.00257 0.00706 0.02213 0.00102 -0.00448 0.00378 0.00389 0.01009 0.00559 -0.00158 -0.03025 0.00647 -0.06452 0.01761 0.00226 0.00373 0.02701 0.00453 0.00941 0.00324 -0.05277 0.02126 0.05865 0.00354 -0.01141 0.00747 0.00575 -0.00231 0.01337 0.00468 0.01391 -0.04556 0.00830 0.11647 0.02967 0.00567 0.14885 -0.00167 0.03279 0.00238 0.00683 -0.02012 -0.06696 -0.00311 0.01393 -0.01240 -0.01320 -0.03598 -0.01616 0.00337 -0.04755 0.00704 -0.10266 0.02901 0.00502 0.00453 0.04185 0.01030 0.01066 0.00455 -0.07534 0.02897 0.08941 0.00521 -0.01641 0.01025 0.00902 -0.00571 0.02059 0.00926 0.02205 -0.07289 0.01346 0.19143 0.04975 0.00806 0.23643 -0.00480 0.05148 0.00183 0.01292 -0.03932 -0.11962 -0.00446 0.01806 -0.01152 -0.02199 -0.01778 -0.11348 0.02994 -0.05823 0.01135 -0.06339 0.02747 0.00169 0.00584 0.06137 -0.07086 0.05475 0.00177 -0.08969 0.05506 -0.08546 -0.00549 -0.01661 0.01010 -0.00828 0.00310 0.04950 0.05010 0.02281 -0.06458 0.00532 0.16718 0.03902 0.02790 0.38498 0.01183 0.07336 0.01599 0.13740 -0.06315 0.06585 -0.07145 -0.15967 0.44256 3.68545 30.55563 -4.56222 -0.51855 -0.01288 0.04105 0.08168 0.02814 -0.07904 0.15305 -0.51934 -5.78351 0.65685 0.15788 0.07368 0.04139 -0.12409 -0.00015 -0.02725 0.18436 -0.59241 -2.15860 0.70582 5.22621 0.00877 -0.00816 -0.01772 -0.02010 -0.03724 0.19288 0.39986 0.63642 -0.41109 -0.06413 0.00080 0.00188 0.00227 0.00087 0.00469 -0.00695 -0.00156 0.00269 0.00544 -0.00024 -0.00008 -0.00910 0.00150 -0.00410 -0.01633 0.02190 0.00327 -0.00366 -0.02321 0.00228 -0.00104 0.00543 0.00491 0.01127 -0.01417 0.01309 -0.01048 0.00378 0.01924 -0.00239 0.01232 0.00195 -0.00662 -0.00086 -0.00117 0.00198 -0.00094 -0.00089 -0.00531 0.00263 0.00077 0.00135 -0.03731 0.00013 -0.00047 0.00176 -0.00154 0.00199 0.00433 0.00097 0.00132 -0.00158 -0.01028 -0.00048 0.00136 -0.00116 -0.00049 0.00307 -0.00180 0.00066 0.00211 -0.00257 -0.01645 -0.00076 0.00220 -0.00189 -0.00074 0.00528 -0.00304 0.00096 -0.01061 -0.00092 0.04507 0.01897 -0.00433 0.00011 -0.01289 0.00271 0.01579 0.00047 0.02513 -0.00785 -0.07374 -0.00309 0.00603 -0.00304 -0.00175 0.00094 -0.00226 0.00288 -0.00271 0.03825 -0.01285 0.11728 -0.01126 -0.00525 -0.08925 0.02104 0.09797 -0.01327 -0.00663 0.00766 0.04569 0.00176 -0.00648 0.00597 0.00085 -0.02764 0.01251 0.00117 -0.01046 0.00066 0.06663 0.03071 -0.00666 0.00009 -0.02049 0.00149 0.02576 0.00344 0.03833 -0.01217 -0.10195 -0.00418 0.00882 -0.00474 -0.00212 0.00314 -0.00506 0.00428 -0.00535 0.06188 -0.02020 0.19153 -0.01860 -0.00784 -0.14026 0.03361 0.15213 -0.02137 0.00550 -0.00288 0.14615 0.01090 -0.00961 0.00542 0.01745 0.07638 -0.01064 -0.03822 -0.01899 -0.01529 0.11778 0.03171 -0.00437 0.00435 -0.02349 -0.01557 0.05598 -0.03903 0.02489 -0.00510 -0.15838 -0.00902 0.00713 -0.00002 -0.00633 0.07561 -0.01788 0.01159 -0.00347 0.05525 -0.02567 0.17675 -0.01386 -0.02150 -0.23675 0.05921 0.27778 -0.03252 -0.00542 0.05404 0.01917 -0.06927 -0.02911 -0.00215 0.06349 9.22632 -2.91751 -5.07170 0.03865 -0.00269 -0.05126 0.07299 0.04050 -0.22720 -0.40869 -8.45707 2.26081 4.85395 0.22946 0.01940 -0.20826 -0.00593 -0.00666 0.00304 0.89518 11.46516 -2.07497 2.58553 -0.00834 -0.01495 0.01004 0.01868 0.03538 -0.06409 -0.12763 1.58824 0.46297 -0.71382 -0.00032 -0.00041 0.00069 -0.00186 -0.00538 -0.00584 -0.00249 0.00199 -0.00072 -0.00026 0.00024 0.00149 0.00181 0.00702 0.01981 0.02290 0.01063 -0.00020 0.00293 0.00021 -0.00343 0.01231 0.00101 -0.00921 0.00519 0.01409 -0.02671 -0.00258 -0.01698 0.00085 -0.00676 0.00291 -0.00579 0.00130 0.00217 0.00475 0.00313 0.00341 0.00125 -0.00214 0.00653 -0.00010 -0.00480 -0.00168 0.00138 0.00137 -0.00414 0.00534 -0.00502 -0.00086 0.00269 0.00005 0.00671 0.00028 -0.00002 -0.00030 0.00014 0.00594 -0.00218 0.00160 0.00427 0.00008 0.01082 0.00046 -0.00004 -0.00048 0.00026 0.00967 -0.00353 0.00267 -0.00402 0.01005 -0.03186 -0.00098 -0.01807 -0.01548 0.00030 0.01209 -0.00882 -0.00137 -0.01569 0.00249 0.01606 0.00071 0.00094 0.00143 -0.00081 -0.01613 0.00507 -0.00002 0.00194 0.00696 -0.00160 -0.00403 -0.12434 -0.11236 -0.01178 -0.00778 -0.03975 0.00463 -0.01229 -0.00008 -0.03283 -0.00129 0.00006 0.00154 -0.00145 -0.03122 0.00987 -0.01404 -0.00550 0.01437 -0.04687 -0.00178 -0.02888 -0.02424 -0.00019 0.01663 -0.01332 -0.00479 -0.02150 0.00317 0.02241 0.00102 0.00173 0.00221 -0.00001 -0.01931 0.00545 -0.00388 0.00288 0.01178 -0.00318 -0.00644 -0.19918 -0.17599 -0.01782 -0.01136 -0.06125 0.00702 -0.02395 -0.00345 -0.00763 -0.00331 -0.00160 0.01362 0.00055 -0.10674 0.05678 0.02609 -0.00639 0.00580 -0.02139 -0.00030 -0.02624 -0.03461 0.00228 -0.03296 -0.00753 -0.02310 -0.02835 -0.00425 0.05434 0.00373 0.00305 -0.00319 -0.00735 -0.10165 0.02323 0.01561 0.00281 0.00901 -0.00586 -0.00765 -0.19166 -0.26137 -0.04080 -0.01511 -0.12648 0.01812 0.06112 0.00758 -0.18016 0.08824 0.06759 -0.05378 -1.89561 -23.44288 5.30177 7.29166 0.07046 0.00930 0.07540 0.07195 -0.02549 -0.13486 0.20399 -3.78601 0.68776 -1.24970 -0.00332 -0.00512 0.10006 0.01504 0.00115 -0.09784 0.17649 -0.68464 0.32838 -1.64253 -0.01024 0.01310 -0.01259 -0.00907 -0.03662 -0.15971 -0.11553 0.43925 -0.49652 0.22371 -0.00052 -0.00109 -0.00048 -0.00420 -0.00035 0.00097 0.00488 0.00140 -0.00515 -0.00061 -0.00152 0.00437 -0.00045 0.01799 0.00271 -0.00496 -0.01996 0.00550 0.01747 -0.00240 -0.00193 0.00328 0.00188 0.01207 0.00903 -0.00632 -0.01692 0.00154 -0.00009 -0.00023 0.00550 0.00318 -0.00310 0.00271 0.00038 -0.00029 -0.00291 -0.00437 0.00488 -0.00288 0.00696 0.00069 -0.01203 0.00126 0.00190 -0.00092 -0.00241 -0.00340 0.00145 -0.00174 0.00783 0.00184 -0.00066 -0.00024 -0.00005 0.00097 0.00149 0.00673 0.00144 0.00536 0.01251 0.00296 -0.00108 -0.00037 -0.00010 0.00158 0.00244 0.01080 0.00236 0.00857 -0.03819 -0.01682 0.00839 -0.01421 -0.01061 0.00764 0.01182 0.01578 -0.01191 0.02030 0.04916 0.00432 -0.02127 0.00119 0.00300 0.00127 0.00051 0.00368 0.00722 -0.00047 0.01233 -0.01836 -0.00284 -0.10396 -0.07922 0.06580 0.09301 -0.01411 -0.03441 0.00339 -0.03757 -0.00872 0.00375 0.00098 0.00032 -0.00442 -0.00751 -0.02918 -0.00677 -0.02214 -0.05499 -0.02476 0.01157 -0.02285 -0.01680 0.01236 0.01748 0.01648 -0.01720 0.01906 0.06851 0.00734 -0.02745 0.00208 0.00382 0.00244 0.00108 0.00399 0.01119 -0.00143 0.01848 -0.02961 -0.00406 -0.16689 -0.12614 0.10478 0.14168 -0.02106 -0.05747 0.00717 -0.04779 -0.00937 -0.00177 0.00451 0.00154 -0.02211 -0.03938 -0.23580 -0.01894 -0.17067 -0.04722 -0.02755 0.00615 -0.01939 -0.01447 0.00865 0.03406 0.07247 -0.04420 0.11973 0.05281 -0.00037 -0.00364 0.00401 0.00610 -0.00159 0.00995 -0.00151 0.02537 -0.02697 0.01613 -0.02341 -0.00290 -0.15147 -0.12358 0.15165 0.26205 -0.03762 -0.07152 0.00115 -0.08222 -0.08708 -0.12612 -0.15756 0.19071 -0.01409 0.46013 8.91766 -1.38322 -2.15409 -0.03049 -0.02429 -0.04198 -0.03172 0.03110 -0.02390 0.32885 4.98034 -0.82694 3.25313 0.05573 0.01547 0.12982 0.08769 -0.06947 -0.14349 0.71833 0.52662 -0.14171 -1.66182 0.00660 -0.00740 0.01060 -0.01798 -0.02295 0.10394 0.30827 -0.68160 0.08790 -0.55523 -0.00101 0.00082 -0.00011 0.00200 -0.00016 -0.00045 0.00188 0.00256 -0.00337 0.00169 -0.00033 -0.00280 0.00034 -0.00627 -0.00238 -0.00335 -0.00646 0.00148 0.00644 -0.00105 -0.00073 0.00393 -0.00063 0.00891 -0.02039 -0.02547 0.00903 -0.00367 -0.01548 0.00199 0.00561 0.00418 -0.00318 -0.00038 -0.00134 -0.00053 0.00021 0.00700 0.00021 0.00428 0.00188 0.00062 -0.00390 0.00112 -0.00273 -0.00364 0.00116 0.00116 -0.00428 -0.00136 0.02757 -0.00622 -0.01666 -0.00221 0.00175 0.00174 0.00178 0.00174 0.00396 -0.00196 0.04459 -0.01070 -0.02192 -0.00272 0.00292 0.00488 0.00776 -0.01546 0.00987 -0.02787 0.03889 0.00084 -0.00546 -0.00401 -0.00625 0.01277 -0.01226 0.24432 0.00765 0.44421 0.01807 0.01153 0.02648 0.00422 -0.02779 0.11381 -0.09553 0.62326 0.15305 1.88884 0.00389 -0.00007 -0.00050 -0.00098 0.00089 0.00128 -0.00096 -0.00311 0.00105 -0.00460 -0.00220 -0.00072 0.00071 0.00037 -0.00059 0.00042 0.00126 -0.00501 0.00122 -0.00586 -0.00041 -0.00340 0.00062 -0.00842 0.00640 0.00956 -0.01107 0.00245 0.00816 -0.00050 -0.00416 0.00097 0.00350 0.00028 -0.00065 0.00084 0.00130 0.00688 -0.00080 -0.00572 -0.00662 0.00155 0.00569 0.00046 -0.00105 0.00137 0.00214 0.01121 -0.00131 -0.00941 -0.01606 0.01959 -0.01236 0.00050 0.01208 0.01851 -0.00547 0.00717 -0.01527 -0.00805 -0.02089 0.00790 0.02586 0.00149 -0.00303 0.00199 -0.00014 -0.01937 0.00844 0.01223 -0.01428 0.08408 0.00293 0.00291 0.08226 0.11253 -0.04477 -0.01556 -0.08857 0.00764 0.01966 -0.00458 -0.01742 -0.00137 0.00321 -0.00455 -0.00727 -0.03553 0.00442 0.03482 -0.02256 0.02990 -0.01705 0.00079 0.01967 0.02894 -0.00879 0.00509 -0.02213 -0.01221 -0.02898 0.01074 0.03878 0.00226 -0.00424 0.00287 0.00094 -0.02033 0.00945 0.00825 -0.02345 0.13532 0.00424 0.00457 0.13270 0.17625 -0.06884 -0.02280 -0.13686 0.01222 0.02305 0.00126 -0.01124 -0.00213 0.00244 -0.01100 -0.01912 -0.17770 0.03391 0.08542 -0.01425 0.02630 -0.06146 -0.00194 0.01768 0.04243 -0.01356 0.11093 -0.06548 -0.02709 -0.02381 0.00619 0.05757 0.00299 -0.00505 0.00491 -0.00302 -0.05336 0.02852 0.05918 -0.01977 0.11251 0.01059 0.00499 0.12219 0.26884 -0.12747 -0.05784 -0.25004 0.02119 -0.21830 -0.09021 0.36796 -0.03114 0.09451 -0.24258 -0.45066 -8.74792 1.56994 -6.81804 0.14239 0.00467 0.03605 0.00548 0.00750 -0.05603 0.65748 6.45128 -1.57320 -3.94084 0.09473 0.02005 -0.03057 0.01473 -0.01679 0.01672 0.13070 1.15230 0.00435 0.98381 -0.02234 0.01169 -0.00717 0.00243 -0.00106 0.23880 -0.28144 -1.15763 -0.30185 0.58483 0.00113 -0.00174 -0.00027 0.00494 -0.00261 0.00125 -0.00751 0.00300 0.00018 0.00029 -0.00190 0.00570 0.00226 -0.01791 0.00971 -0.00550 0.02702 -0.00127 -0.00344 0.00146 0.00066 -0.00422 0.00278 -0.01146 0.00009 -0.00059 0.01186 -0.00225 -0.01562 0.00108 0.00227 0.00130 -0.00707 -0.00304 0.00226 -0.00142 0.00376 -0.00023 -0.00135 0.00092 -0.00028 -0.00084 -0.01455 -0.00225 0.00056 -0.00013 0.00108 -0.00660 -0.00050 0.00578 -0.01744 -0.00301 0.02931 0.00061 -0.00094 -0.00023 -0.00055 -0.00214 -0.00108 0.00365 -0.02603 -0.00376 0.04418 0.00080 -0.00165 0.00007 -0.00251 -0.02385 0.00435 -0.00384 -0.01356 -0.00167 0.02382 0.00034 -0.00189 0.00361 0.02791 0.34883 -0.11682 0.00862 0.02022 0.00116 0.00312 0.00586 -0.00758 0.02222 0.15022 1.42844 -0.54742 -0.26685 -0.00088 0.00074 -0.00083 -0.00005 -0.00158 -0.00166 -0.00062 -0.00339 -0.00022 -0.00197 -0.00002 0.00036 -0.00016 0.00001 0.00007 0.00013 0.00049 0.00691 -0.00216 0.00052 0.00019 0.00085 -0.00041 -0.00034 -0.01040 -0.01198 -0.00211 -0.00053 -0.00777 0.00104 0.02799 0.01262 -0.00832 0.00009 -0.00064 0.00102 0.00147 0.00090 0.00239 -0.00161 0.04591 0.01857 -0.01442 0.00023 -0.00056 0.00097 0.00441 -0.01007 0.00814 -0.02506 0.01892 0.00626 -0.01000 0.00084 -0.00035 -0.00043 0.02007 0.39721 -0.06393 0.51219 -0.00806 -0.00378 -0.01665 -0.00327 0.01057 -0.03073 0.12160 2.87358 -0.50329 3.36715 0.00150 0.00006 -0.00018 -0.00125 -0.00083 0.00086 0.00116 -0.00581 -0.00014 -0.00554 0.00309 0.00037 -0.00163 0.00011 0.00020 0.00010 0.00001 0.00019 0.00043 -0.00106 0.00030 -0.00166 -0.00010 -0.00872 -0.00676 0.00809 0.01119 -0.00100 -0.00590 0.00158 -0.00596 0.00061 -0.01160 -0.00036 -0.00020 0.00056 0.00102 0.00692 -0.00036 -0.00730 -0.00951 0.00096 -0.01857 -0.00057 -0.00032 0.00091 0.00165 0.01111 -0.00054 -0.01168 0.01084 0.00504 0.03840 -0.01470 0.00984 -0.00954 0.01765 -0.01202 0.00245 0.01382 -0.02687 0.00134 -0.06878 -0.00199 0.00012 0.00111 -0.00086 -0.01485 0.00680 0.02137 -0.01829 0.06764 0.00001 -0.09963 0.06604 -0.05712 0.11939 -0.00327 0.00559 0.00213 0.02795 -0.00266 0.05415 0.00167 0.00092 -0.00275 -0.00496 -0.03188 0.00078 0.03043 0.01500 0.00942 0.05056 -0.02400 0.01588 -0.01503 0.02791 -0.01145 0.00164 0.01345 -0.03937 0.00148 -0.09700 -0.00283 0.00004 0.00184 -0.00091 -0.01976 0.00948 0.02478 -0.02900 0.10866 0.00172 -0.16044 0.10496 -0.09152 0.18463 -0.00621 0.00699 0.00494 0.04301 -0.00633 0.13802 0.00489 0.00243 -0.00956 -0.02436 -0.22242 0.04445 0.24538 0.01957 0.00829 0.04458 -0.02363 0.01630 -0.02831 0.04487 -0.04734 0.01371 0.07857 -0.03300 -0.00001 -0.10539 -0.00379 0.00040 0.00304 -0.00241 -0.05429 0.02196 0.08173 -0.02546 0.09193 0.00229 -0.14892 0.10795 -0.13842 0.33090 -0.00568 0.02927 -0.00161 0.01730 0.06333 0.00509 0.03847 -0.09953 0.37096 -0.58195 -4.17580 0.79348 5.07584 0.06701 -0.00273 0.03462 0.00055 0.02234 -0.13162 0.21543 0.79021 -0.04988 -0.06899 -0.07630 -0.01398 -0.05153 -0.01489 0.01653 -0.05479 -0.29489 -2.95703 0.76225 3.46533 -0.01475 0.01245 -0.00277 -0.02322 0.02261 -0.11183 0.38481 -0.05575 0.11366 0.07624 0.00024 0.00267 0.00125 0.00167 0.00347 0.00649 -0.00010 0.00118 -0.00630 -0.00102 0.00202 -0.01021 0.00040 -0.00529 -0.01224 -0.02319 0.00117 0.00461 0.01945 -0.00292 0.00043 -0.00005 0.00039 0.01014 0.00349 0.00948 0.01051 -0.00384 -0.01318 0.00251 -0.00040 -0.00073 0.00048 -0.00082 -0.00194 -0.00410 -0.00033 -0.00239 0.00326 0.00386 0.00119 -0.00149 -0.00616 0.00135 0.00087 0.00136 0.00212 0.00577 -0.00404 -0.00491 0.00466 0.00006 0.01195 0.00051 0.00002 -0.00071 0.00010 0.00503 -0.00205 -0.00385 0.00750 0.00007 0.01940 0.00082 0.00003 -0.00114 0.00015 0.00795 -0.00327 -0.00604 -0.01232 0.00501 -0.01774 -0.01678 -0.00768 -0.01446 -0.01438 -0.01040 0.01540 0.01281 0.02607 0.00220 0.07425 0.00335 -0.00041 -0.00078 -0.00051 -0.00228 -0.00193 0.00019 -0.00146 -0.01132 0.00861 -0.10130 -0.04792 -0.08408 -0.08257 0.02158 0.08502 -0.01386 -0.02115 -0.00017 -0.05837 -0.00243 -0.00012 0.00331 -0.00022 -0.02025 0.00770 0.01346 -0.01687 0.00697 -0.02048 -0.02708 -0.01232 -0.02322 -0.02273 -0.01521 0.02378 0.01848 0.04124 0.00260 0.11591 0.00533 -0.00045 -0.00200 -0.00065 -0.00413 -0.00440 0.00253 -0.00307 -0.01700 0.01282 -0.16485 -0.07621 -0.13527 -0.13104 0.03367 0.13306 -0.02084 -0.03489 0.00141 -0.09891 -0.00831 0.00069 0.01270 -0.00928 -0.16194 0.08954 0.17269 -0.00648 0.00923 -0.00679 -0.02161 -0.01244 -0.03242 -0.03786 -0.01556 0.03370 0.01509 0.00130 0.00330 0.02535 0.00442 -0.00131 0.00505 0.00873 0.04331 -0.02486 -0.07664 -0.00328 -0.01818 0.00845 -0.14524 -0.07885 -0.18361 -0.21654 0.05588 0.23127 -0.03741 -0.21944 -0.07804 -0.16283 -0.07467 0.10227 -0.22052 -0.31754 -2.92190 1.10132 3.21974 0.04583 0.01880 0.04616 0.02075 -0.03070 0.07236 -0.05829 -0.87543 0.09222 0.54444 -0.05629 0.00108 -0.02249 -0.00353 -0.00889 0.04546 -0.07809 -0.58261 0.08129 0.18855 -0.00553 -0.01020 -0.00909 -0.01507 -0.01230 -0.14926 -0.26688 0.10852 0.20737 -0.17322 0.00057 -0.00003 0.00127 -0.00151 -0.00066 0.00184 0.00216 0.00243 -0.00191 -0.00193 0.00243 0.00025 0.00482 0.00562 0.00282 -0.00682 -0.00528 0.00099 0.00537 -0.00085 -0.00117 0.01439 0.00479 -0.00851 0.01863 -0.02265 0.02460 0.00156 0.01479 -0.00115 -0.01112 0.00330 -0.03014 -0.00005 0.00075 -0.00053 0.00058 0.00598 0.00228 -0.00377 -0.00882 0.00316 -0.02486 -0.00224 0.00325 -0.00327 0.00395 -0.00167 0.00427 0.00359 -0.00609 0.00186 0.03434 0.00122 -0.00215 0.00077 0.00102 -0.00111 0.00149 -0.00215 -0.01034 0.00325 0.04766 0.00171 -0.00354 0.00156 0.00028 -0.01779 0.00900 0.02122 -0.00141 0.00196 0.02206 0.00044 -0.00227 0.00280 0.04038 0.44477 -0.13946 -0.37279 -0.00357 -0.00127 0.00406 -0.00379 0.00408 -0.01492 0.19985 2.62527 -0.81396 -1.88358 -0.00117 0.00170 -0.00047 0.00005 0.00091 0.00193 -0.00114 -0.00457 -0.00041 0.00205 -0.00041 0.00020 0.00036 0.00004 -0.00006 0.00031 0.00087 0.00603 -0.00158 -0.00697 -0.00115 0.00670 0.00015 0.00016 0.00672 0.01181 -0.00574 -0.00137 -0.01329 0.00073 -0.00810 -0.00298 -0.02915 -0.00112 0.00029 0.00034 0.00024 0.00114 0.00078 0.00090 -0.01550 -0.00408 -0.05309 -0.00166 0.00029 0.00151 -0.00053 -0.01279 0.00639 0.02913 -0.00614 -0.00278 -0.02411 -0.00093 0.00095 0.00425 0.03613 0.40566 -0.10879 -0.59444 0.00723 0.00006 0.00912 0.00227 -0.00246 0.03644 0.21042 2.25965 -0.63459 -3.69486 0.00145 0.00054 0.00439 -0.00120 0.00086 -0.00117 0.00261 0.00270 -0.00087 -0.00404 -0.00001 0.00016 -0.00081 -0.00003 0.00001 0.00007 0.00057 0.00567 -0.00124 -0.00683 -0.00155 0.00545 -0.00020 -0.00834 0.00552 -0.00703 0.01521 -0.00116 0.00029 0.00123 -0.02294 0.00756 -0.05327 -0.00156 0.00034 0.00052 0.00084 0.00106 0.00172 0.00087 -0.03995 0.01112 -0.09606 -0.00270 0.00020 0.00162 0.00197 -0.00674 0.00171 0.00666 -0.02270 0.00243 -0.06762 -0.00447 0.00193 -0.00226 0.01069 0.21994 -0.02700 -0.19027 -0.01548 -0.00195 -0.02767 -0.00919 0.00351 -0.03779 0.04433 1.38869 -0.29844 -1.22518 0.00105 -0.00036 0.00204 -0.00128 -0.00058 -0.00167 -0.00129 0.00459 0.00141 -0.00395 0.00152 0.00021 0.00424 0.00017 -0.00003 0.00003 0.00005 -0.00053 0.00036 0.00016 -0.00043 -0.00066 0.00011 -0.00807 -0.00363 -0.01024 -0.00969 0.00166 0.01075 -0.00081 -0.01679 0.00002 -0.03514 -0.00128 -0.00027 0.00164 0.00136 0.00303 0.00246 -0.00106 -0.02716 0.00004 -0.05709 -0.00209 -0.00043 0.00269 0.00226 0.00488 0.00407 -0.00167 0.03414 -0.02422 0.11557 0.00355 -0.01662 0.01614 -0.00691 -0.00707 -0.01892 -0.00180 -0.06621 0.00235 -0.18020 -0.00619 0.00166 0.00293 0.00216 0.00249 0.00777 0.00420 0.00417 -0.06792 -0.02050 0.00031 -0.09031 0.10079 -0.04000 -0.01398 -0.09375 0.00813 0.07832 -0.00006 0.16187 0.00593 0.00167 -0.00832 -0.00809 -0.01490 -0.01295 0.00555 0.05306 -0.03621 0.17159 0.00526 -0.02533 0.02469 -0.00994 -0.00951 -0.02727 -0.00390 -0.09874 0.00369 -0.26447 -0.00925 0.00237 0.00419 0.00328 0.00350 0.01261 0.00672 0.00626 -0.10528 -0.03030 0.00075 -0.13869 0.15191 -0.05852 -0.02001 -0.13954 0.01312 0.12409 0.00224 0.27657 0.01150 -0.00039 -0.01416 -0.00389 -0.01621 -0.03700 -0.00588 0.03329 -0.03187 0.14533 0.00586 -0.02412 0.02748 -0.01705 -0.01787 -0.05347 -0.01083 -0.07977 0.00083 -0.23079 -0.00569 0.00304 0.00446 0.00459 0.02086 -0.00702 -0.02362 0.00876 -0.09496 -0.02712 0.00003 -0.13771 0.19516 -0.08746 -0.03499 -0.20418 0.01509 0.10229 -0.02453 0.19458 0.01678 0.01732 0.00109 0.10769 0.97434 -0.14159 -0.71367 -0.02760 0.01038 -0.01285 0.00523 -0.01399 0.02937 -0.02233 -0.05017 -0.09711 -0.00631 -0.01174 0.00971 -0.04478 0.00199 -0.00522 -0.00651 0.01254 0.11199 -0.18135 -0.29837 0.00353 -0.00603 0.00426 0.01227 -0.00832 0.11936 -0.06054 0.05229 -0.17436 0.06444 0.00534 -0.00207 0.01149 0.00421 0.00026 0.00204 0.00498 0.00014 -0.00192 0.00047 0.00021 0.00502 0.00340 -0.01327 -0.00113 -0.00818 -0.01815 0.00233 0.00495 -0.00141 -0.00106 -0.00465 -0.00047 -0.00805 -0.01053 0.00036 -0.01079 0.00167 0.00473 -0.00080 0.00042 0.00143 0.00257 -0.00221 0.00004 -0.00230 -0.00406 -0.00195 -0.00048 0.00152 0.00639 -0.00238 0.00592 -0.00120 -0.00135 -0.00006 -0.00194 -0.00084 0.00007 -0.00029 -0.00472 -0.00283 -0.00168 0.00007 0.00120 0.00034 0.00085 -0.00091 -0.00012 -0.00235 -0.00718 -0.00439 -0.00254 0.00010 0.00194 0.00050 0.00131 -0.00130 -0.00010 -0.00394 0.06702 0.10925 -0.02268 -0.00149 -0.03289 0.03871 0.02772 0.01206 0.06199 -0.00878 -0.12930 0.04770 0.03914 0.00375 -0.02109 0.01465 0.01338 0.00182 0.02435 -0.00303 0.00862 0.07431 0.00181 -0.00209 0.00721 -0.06387 -0.05022 -0.01861 -0.10603 0.00605 0.01557 0.01246 0.00434 0.00044 -0.00661 -0.00217 0.00059 -0.00465 -0.00308 0.01428 0.09448 0.14778 -0.02746 -0.00189 -0.05025 0.06297 0.04333 0.01670 0.10005 -0.01681 -0.17718 0.06478 0.05584 0.00553 -0.03152 0.02521 0.01978 -0.00106 0.03859 -0.00785 0.01224 0.10278 0.00188 -0.00316 0.01092 -0.10238 -0.07785 -0.02685 -0.16788 0.00216 0.02831 0.00307 -0.00089 -0.02389 0.01881 0.01937 -0.18242 0.12713 0.08162 -0.02861 0.05338 0.07473 -0.00779 0.00873 -0.05400 0.13939 0.10589 0.18843 0.08367 0.01108 -0.09520 0.02883 0.03460 0.01335 -0.03009 0.05899 0.03651 -0.16975 0.04529 -0.18732 0.00572 0.04694 -0.00549 0.00092 -0.00139 -0.07773 -0.17474 -0.07143 -0.36334 0.03407 0.14738 -0.00390 -0.00890 -0.02408 -0.03224 0.00898 0.20600 0.37961 0.00631 -1.07019 0.03037 0.08710 0.01268 0.06477 0.00783 0.17500 0.29928 0.82137 -0.07330 1.17296 -0.01818 0.03312 0.05697 0.04122 0.02967 0.03796 0.13968 0.01231 0.10403 0.11288 0.00733 0.04466 0.00788 0.03043 0.01879 -0.01202 -0.23422 -0.12061 -0.56101 0.63254 0.00906 0.00199 -0.00171 -0.00072 -0.00008 0.00038 -0.00018 0.00478 0.00283 0.00533 0.01388 0.00902 -0.00406 0.00132 -0.01157 0.00985 0.00692 -0.00077 0.00193 -0.00090 0.00852 -0.01456 -0.00476 -0.00050 0.01787 -0.01556 -0.00062 -0.00164 -0.00892 0.00225 0.01529 0.01929 -0.00503 -0.00095 -0.00624 0.00582 -0.00226 0.00151 0.00247 0.00201 0.02476 -0.01410 -0.00579 -0.00132 0.00641 -0.00410 0.00038 0.00320 -0.00046 0.00391 -0.00652 -0.01380 0.00711 0.00089 0.00464 -0.00322 -0.00052 0.00692 -0.00350 0.00507 -0.01052 -0.02215 0.01146 0.00145 0.00739 -0.00523 -0.00070 0.01103 -0.00567 0.00818 -0.08451 -0.12053 0.00515 0.00122 0.03573 -0.01695 -0.00433 -0.00638 -0.01012 0.00241 0.04594 -0.00592 -0.03626 -0.00433 0.00011 -0.00053 -0.00093 0.00092 0.00272 0.00702 -0.00856 -0.04873 0.01454 -0.00050 0.00214 0.00364 0.00391 0.00046 0.01436 -0.00266 0.02897 0.06000 -0.03339 -0.00482 -0.02060 0.01825 -0.00233 -0.02704 0.01716 -0.02289 -0.12431 -0.17649 0.00738 0.00303 0.04969 -0.02343 -0.00033 -0.01027 -0.01246 0.00338 0.06321 -0.00742 -0.05253 -0.00606 -0.00149 0.00080 -0.00211 -0.00005 0.00647 0.01098 -0.01310 -0.07101 0.02209 -0.00047 0.00264 0.00365 0.00546 -0.00245 0.01917 -0.00273 0.01896 0.06281 -0.03599 -0.00161 -0.01252 -0.01922 0.04192 -0.17715 0.05443 -0.10413 -0.10401 -0.15114 0.00290 -0.00262 0.04512 -0.00959 -0.04231 0.00669 -0.03682 0.00867 0.05874 -0.00344 -0.03438 -0.00490 0.00016 -0.00860 0.01796 0.01910 0.00454 0.02082 -0.00535 -0.05573 0.01842 -0.00160 0.00130 0.00859 -0.00575 0.04281 0.02554 -0.01656 -0.04629 -0.09108 -0.03015 -0.07855 -0.01060 0.18445 0.05036 -1.84640 0.73393 -1.50936 0.02178 0.02818 -0.00102 0.01443 -0.00196 -0.04332 0.02136 0.01215 -0.18232 0.19777 0.01612 -0.01688 0.00015 -0.02193 -0.01060 0.03045 0.00535 0.05650 0.09133 0.09593 0.00645 0.02674 0.00196 0.01250 -0.00704 -0.00714 0.01428 -0.16171 -0.04153 -0.03170 0.00246 -0.00279 -0.00388 -0.00032 -0.00086 0.00492 0.00388 0.00231 0.01027 -0.00006 0.00812 0.00528 -0.00021 -0.00018 -0.00283 0.00715 0.00612 0.00149 0.01386 -0.00208 0.00758 -0.00518 -0.00577 -0.00038 0.00126 -0.00123 0.00033 0.00028 -0.00095 -0.00015 0.00488 0.00494 -0.00612 -0.00078 0.00250 -0.00782 -0.00609 -0.00230 -0.00963 0.00106 0.00770 -0.00617 -0.00352 -0.00046 0.00175 -0.00065 -0.00209 -0.00039 -0.00271 0.00012 -0.03467 -0.03446 -0.01530 -0.00030 0.01952 -0.02265 -0.01531 -0.00505 -0.03289 0.00557 -0.04904 -0.05440 -0.01739 -0.00194 0.03022 -0.03646 -0.03651 -0.00554 -0.05721 0.00661 -0.02266 -0.01804 -0.00515 0.01010 0.02452 -0.09883 -0.03526 0.15702 -0.14325 0.06469 -0.03963 -0.02468 0.00027 -0.00638 0.00839 -0.13818 -0.26579 -0.12439 -0.30274 -0.18516 -0.00266 -0.00487 0.00173 0.00035 0.00096 -0.00307 -0.00108 -0.00011 -0.00558 0.00111 0.00529 0.00064 0.00131 -0.00024 -0.00110 0.00155 -0.00027 0.00024 0.00134 -0.00056 -0.00423 -0.00714 -0.00142 -0.00011 0.00200 -0.00126 -0.00150 -0.00279 -0.00285 -0.00081 0.02134 -0.04399 -0.01830 -0.00287 0.00195 0.00861 0.00799 0.00286 0.02055 0.00041 0.03458 -0.07180 -0.02795 -0.00573 0.00166 0.02619 0.00820 0.00303 0.03711 -0.00028 0.02255 -0.03681 -0.01854 0.00699 0.00856 -0.00585 0.04420 0.12603 0.04507 0.08709 -0.02029 -0.04324 -0.00736 -0.00881 0.00455 -0.01334 -0.04257 0.74650 0.11567 -0.09620 -0.00614 -0.00712 0.00120 0.00005 0.00141 0.00049 -0.00046 -0.00022 0.00085 -0.00098 0.00208 0.00281 0.00096 0.00064 -0.00075 0.00021 0.00083 0.00148 -0.00337 0.00032 -0.00269 0.00143 0.00177 0.00046 0.00021 -0.00046 0.00118 0.00238 0.00143 0.00031 -0.05021 -0.00834 0.03459 0.00359 -0.00129 0.00761 0.00873 0.00061 0.01141 -0.00498 -0.07844 -0.01087 0.05849 0.00581 -0.00420 0.01917 0.01986 -0.00796 0.02552 -0.01525 -0.03786 -0.00086 0.04740 0.00655 -0.00481 0.00828 0.04508 0.20835 0.00686 0.14967 -0.00822 -0.03254 0.02218 -0.01847 0.00300 0.00031 0.03562 0.41426 0.21831 0.30702 -0.00468 -0.00817 -0.00012 0.00002 0.00314 -0.00198 0.00064 -0.00033 0.00015 0.00008 -0.00307 -0.00145 0.00088 -0.00005 0.00015 0.00021 -0.00046 -0.00262 0.00087 -0.00288 0.00181 -0.00282 -0.00030 -0.00022 0.00019 0.00061 0.00013 0.00042 0.00219 0.00090 -0.00772 0.01302 0.00335 0.00088 -0.00652 0.00330 0.00125 0.00838 0.00217 0.01121 -0.01242 0.02091 0.00537 0.00145 -0.01051 0.00540 0.00217 0.01338 0.00340 0.01797 -0.00012 -0.07171 -0.00476 0.00299 0.01351 -0.00925 0.00194 0.00397 -0.00892 0.01074 0.09317 -0.08196 -0.02278 -0.00434 0.03390 -0.01113 -0.00322 0.00598 -0.00619 0.01327 0.00572 -0.04810 -0.00773 0.00412 -0.00170 0.00261 0.01327 0.00178 0.00414 0.00060 0.03402 -0.05703 -0.01402 -0.00518 0.03132 -0.01915 -0.01046 -0.03455 -0.00675 -0.04927 0.00257 -0.10345 -0.00763 0.00404 0.01783 -0.01166 0.00315 0.00669 -0.00943 0.01802 0.13405 -0.12122 -0.03187 -0.00712 0.05076 -0.01672 -0.00788 0.01134 -0.00529 0.02269 0.00870 -0.07001 -0.01213 0.00563 -0.00243 0.00287 0.01723 0.00193 0.00306 0.00109 0.03105 -0.06167 -0.01950 0.00557 0.01377 0.01844 0.01696 -0.18644 -0.07054 -0.22215 -0.00577 -0.08746 -0.00300 0.00593 0.01299 -0.00774 0.01265 -0.01510 -0.01525 -0.00642 0.11752 -0.10553 -0.03780 0.00102 0.03445 -0.00125 0.01602 0.00032 -0.04089 0.00591 0.00837 -0.05593 -0.00706 0.01036 -0.00727 -0.00524 0.04365 -0.01643 -0.01153 -0.01198 -0.01687 0.05936 0.04391 0.05189 0.04984 -0.19046 -0.33266 -3.27285 -0.37291 -3.39219 -0.02322 0.00632 0.00381 0.00705 0.00316 0.00553 0.00281 0.21731 -0.04424 0.19668 0.00260 0.02562 0.01152 0.02282 0.02092 -0.07306 -0.10299 -0.37994 -0.03187 0.14206 0.00134 0.02230 0.01178 0.01775 -0.01107 -0.04284 0.08265 -0.23409 -0.12758 -0.11081 0.00198 0.00302 -0.00053 -0.00035 0.00118 -0.00431 -0.00395 -0.00016 -0.00650 0.00136 0.01149 0.00450 -0.00233 -0.00063 0.00114 -0.00228 -0.00178 -0.00149 -0.00489 -0.00107 0.00261 -0.00592 -0.00037 -0.00040 0.00333 -0.00747 -0.00783 -0.00333 -0.01425 -0.00042 0.00730 0.00796 -0.00203 -0.00061 -0.00008 -0.00144 -0.00099 0.00055 -0.00140 0.00080 0.00653 -0.00169 -0.00214 -0.00018 -0.00144 0.00666 0.00412 0.00110 0.01301 -0.00205 -0.03710 0.02209 0.00502 0.00333 -0.01943 0.02080 0.01815 0.00496 0.03371 -0.00466 -0.05813 0.03381 0.00835 0.00403 -0.03047 0.03932 0.03054 0.00580 0.07271 -0.02550 -0.03281 0.01429 -0.00165 0.00292 -0.02674 0.09840 0.06029 0.26224 0.16002 0.33478 -0.02455 0.02136 0.01212 0.02148 0.01554 0.12762 0.13992 0.95205 0.52038 1.42794 -0.00211 -0.00361 0.00005 0.00041 -0.00005 -0.00129 0.00018 -0.00134 -0.00256 -0.00239 0.00391 -0.00414 -0.00106 -0.00044 0.00191 -0.00280 -0.00316 -0.00134 -0.00395 -0.00160 0.00467 -0.00575 -0.00099 -0.00011 0.00209 -0.00130 -0.00136 0.00307 -0.00191 0.00578 0.02878 0.05213 -0.00194 -0.00514 0.00320 -0.00532 -0.00805 -0.00172 -0.00964 -0.00141 0.04478 0.08185 -0.00110 -0.00892 0.00490 -0.01567 -0.01945 -0.01555 -0.02028 -0.01352 0.02849 0.04966 -0.00667 0.00364 -0.01422 -0.00491 0.03475 0.20606 -0.02401 0.26689 -0.00987 0.05230 0.00614 0.03352 0.00079 0.00200 0.12144 0.87057 -0.31206 1.40002 0.00200 -0.00006 0.00006 -0.00080 0.00161 -0.00004 -0.00217 -0.00197 0.00126 -0.00356 0.00568 -0.00687 -0.00175 0.00050 0.00076 0.00007 0.00271 0.00179 -0.00026 0.00231 0.00244 0.00141 -0.00054 -0.00036 0.00019 0.00032 -0.00009 -0.00188 0.00098 -0.00307 -0.04883 0.00236 0.01092 0.00211 -0.00186 -0.01105 -0.00917 -0.00400 -0.02268 0.00299 -0.07542 0.00184 0.01715 0.00314 0.00022 -0.02893 -0.02192 -0.01751 -0.04915 -0.00640 -0.03463 -0.00171 0.00680 0.00520 -0.00702 -0.02514 -0.00059 0.19395 -0.07752 0.29954 -0.00354 0.02357 0.02403 0.01666 0.00678 -0.06765 -0.07819 -0.06545 -0.18170 0.78659 0.00456 -0.00530 -0.00124 0.00004 0.00134 -0.00001 0.00109 0.00278 0.00018 0.00404 0.00277 -0.00540 -0.00095 -0.00028 0.00305 -0.00166 -0.00033 -0.00070 0.00155 -0.00125 -0.00276 -0.00290 -0.00009 0.00041 -0.00022 0.00037 0.00155 -0.00086 0.00085 -0.00166 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 17 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 18 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 19 H 1S 2S 3S 4S 5PX 5PY 5PZ 20 H 1S 2S 3S 4S 5PX 5PY 5PZ 21 H 1S 2S 3S 4S 5PX 5PY 5PZ 22 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 23 H 1S 2S 3S 4S 5PX 5PY 5PZ 24 H 1S 2S 3S 4S 5PX 5PY 5PZ 25 H 1S 2S 3S 4S 5PX 5PY 5PZ 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|17 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|18 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|19 H 1S|2S|3S|4S|5PX|5PY|5PZ|20 H 1S|2S|3S|4S|5PX|5PY|5PZ|21 H 1S|2S|3S|4S|5PX|5PY|5PZ|22 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|23 H 1S|2S|3S|4S|5PX|5PY|5PZ|24 H 1S|2S|3S|4S|5PX|5PY|5PZ|25 H 1S|2S|3S|4S|5PX|5PY|5PZ 1.10448 0.88467 0.23857 0.23023 0.16351 0.75925 0.53143 0.52464 0.41808 0.46176 0.18087 0.24733 0.36057 -0.10009 0.10684 0.03841 0.02487 0.00404 0.00935 0.00532 0.01721 0.02404 1.10446 0.88472 0.23576 0.23500 0.16109 0.75679 0.53636 0.54757 0.41741 0.46649 0.16150 0.18511 0.37682 -0.00945 -0.02109 0.00874 -0.01567 0.00364 0.00867 0.00537 0.01773 0.01806 1.10453 0.88476 0.21889 0.23729 0.16820 0.76430 0.50649 0.54323 0.43863 0.41046 0.06698 0.22434 0.33366 0.18962 0.22940 0.16547 0.14786 0.00586 0.01466 0.01072 0.03031 0.03647 1.10437 0.88484 0.23362 0.23392 0.17135 0.75814 0.53329 0.53420 0.44779 0.39258 0.18625 0.17445 0.36482 -0.33853 -0.15615 -0.00933 -0.10583 0.00470 0.01091 0.00907 0.02188 0.02428 1.10443 0.88468 0.22991 0.23901 0.16803 0.75792 0.52465 0.52964 0.42897 0.45090 0.17511 0.22987 0.35684 0.15470 -0.11587 0.13330 0.03310 0.00400 0.00844 0.00692 0.01900 0.01993 1.10441 0.88471 0.23056 0.23922 0.16861 0.75542 0.52130 0.53374 0.43210 0.44833 0.25502 0.15072 0.36627 0.16306 0.09109 0.01960 0.01019 0.00372 0.00401 0.01089 0.02253 0.01693 0.27291 0.48749 0.03423 -0.04682 0.00637 0.01250 0.00551 1.10447 0.88464 0.24199 0.23101 0.16135 0.76209 0.53539 0.52675 0.41490 0.44639 0.18109 0.21609 0.33959 -0.76963 -0.07991 0.05016 0.03608 0.00418 0.01029 0.00558 0.01684 0.02265 0.27125 0.49275 0.03274 -0.02541 0.00722 0.01165 0.00576 0.27177 0.49341 0.02222 -0.04792 0.01439 0.00420 0.00589 1.10438 0.88469 0.23863 0.23096 0.17220 0.75292 0.53025 0.52472 0.44035 0.46813 0.18243 0.23746 0.37180 0.47673 0.06674 0.06538 0.00166 0.00406 0.00826 0.00514 0.01611 0.02162 1.10453 0.88464 0.23318 0.23336 0.16272 0.76485 0.52961 0.51434 0.41682 0.44798 0.24069 0.09074 0.32954 -0.21538 0.05502 0.01362 0.02715 0.00474 0.00540 0.01644 0.03648 0.02423 0.27103 0.49145 0.02314 -0.05796 0.00692 0.01219 0.00529 0.27086 0.49172 0.01906 -0.03771 0.00695 0.01186 0.00583 0.27347 0.49441 0.02481 -0.06339 0.01437 0.00305 0.00508 1.09563 0.89552 0.25789 0.30147 0.20804 0.88885 0.58614 0.65759 0.48996 0.78551 0.28344 0.37147 0.43200 -0.13233 -0.09757 -0.10893 -0.05484 0.00376 0.00495 0.00596 0.01304 0.00746 1.13285 0.85400 0.17123 0.19825 0.07999 0.66516 0.35933 0.41532 0.19099 0.33411 0.05825 0.05545 0.04222 0.01803 -0.01926 0.00909 0.04133 0.01236 0.01810 0.02019 0.03117 0.03437 1.10421 0.88493 0.22558 0.21308 0.21194 0.72530 0.53597 0.50165 0.50637 0.50792 0.36773 0.34796 0.35760 0.13748 -0.03239 0.03154 0.00040 0.00298 0.00745 0.00909 0.00814 0.00341 0.26250 0.47640 0.04630 0.01088 0.01036 0.00565 0.00889 0.26901 0.47805 0.06318 -0.01533 0.00636 0.00848 0.00920 0.26894 0.48445 0.06866 0.01555 0.00635 0.01151 0.00586 1.10422 0.88494 0.21488 0.22438 0.21089 0.72371 0.50801 0.53056 0.50301 0.52271 0.36896 0.37584 0.35430 0.17835 0.00973 -0.02168 0.00974 0.00223 0.01085 0.00651 0.00420 0.00676 0.26321 0.48196 0.04319 0.01278 0.00661 0.00879 0.00921 0.27002 0.47649 0.07208 0.01282 0.00927 0.00612 0.00831 0.26685 0.47939 0.05388 0.00367 0.00873 0.00884 0.00656 -1.2923 2.2245 0.1810 2.5789 -65.4698 -62.6868 -81.5387 -3.1312 -2.7135 -0.4995 4.4286 7.2116 -11.6403 -3.1312 -2.7135 -0.4995 436.9380 -144.9952 4.8650 142.5711 -48.4990 12.1041 180.4137 -81.3395 1.8386 -1.3548 -2949.0954 -2161.7585 -179.1431 332.5337 -44.7146 304.3487 -0.4006 21.9224 19.0031 -855.6763 -636.4188 -476.0073 12.2596 -19.3270 168.1660 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 6 1 1 1 6 1 1 1 0.001002237 0.000352848 0.000013564 -0.001491545 0.001243831 -0.000054868 0.000298910 0.000181194 0.000042951 0.000549488 -0.000337697 -0.000059020 -0.000258182 -0.001334389 0.000019933 0.001211322 0.001021400 -0.000116855 0.000398382 0.000844287 -0.000103336 0.001109110 -0.000766990 -0.000184658 0.000420916 -0.000802326 -0.000085045 0.000862582 0.000066984 -0.000113200 -0.001612739 -0.000918442 0.000279150 -0.001180350 -0.001300215 0.000082581 0.000487433 -0.000719558 -0.000071381 -0.000411360 -0.000754873 0.000072765 -0.000945537 -0.000119413 0.000131482 -0.000279626 0.003538298 -0.000062754 0.000918976 -0.001936575 0.000284953 -0.001292535 0.000205495 -0.000139195 -0.000220879 -0.000196447 0.000084343 -0.000100182 -0.000277729 -0.000392589 -0.000176057 0.000416647 -0.000224459 0.000361098 0.001185005 0.000119652 0.000182285 0.000225335 -0.000156569 0.000452175 -0.000123953 0.000367394 -0.000285921 0.000307283 0.000265160 0.003538298 0.000774996 10 -505.975898595 PT44893.500S 2021-03-25T14:20:54.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 C C C C C C H C H H C C H H H N B C H H H C H H H -0.235392 -0.085065 -0.732105 0.519402 -0.343477 -0.432419 0.227818 0.658004 0.204030 0.236047 -0.804622 0.079302 0.247931 0.231429 0.248184 0.104980 0.277461 -0.658335 0.179016 0.181046 0.138690 -0.733120 0.174245 0.144872 0.172078 -0.00000 -10.30041 -10.29969 -10.29762 -10.29590 -10.27587 -10.24738 -10.24001 -6.84342 -1.05568 -0.95914 -0.91628 -0.85849 -0.84922 -0.80166 -0.76714 -0.74486 -0.73052 -0.70076 -0.62458 -0.61196 -0.60472 -0.55096 -0.54179 -0.52124 -0.51434 -0.50529 -0.50289 -0.49455 -0.48473 -0.46432 -0.46174 -0.45705 -0.43786 -0.43669 -0.39983 -0.38999 -0.38399 -0.34178 -0.33178 -0.31080 -0.00458 0.03676 0.03829 0.04414 0.04646 0.04911 0.06251 0.06375 0.06738 0.07883 0.08275 0.08678 0.09217 0.09512 0.09768 0.10648 0.11466 0.11800 0.12442 0.12848 0.13653 0.14254 0.14764 0.15036 0.15917 0.16090 0.16395 0.16793 0.17050 0.17600 0.17774 0.18422 0.18627 0.18835 0.19480 0.19514 0.20111 0.20452 0.20637 0.21257 0.21419 0.21853 0.22232 0.22611 0.23075 0.23161 0.23830 0.24313 0.24848 0.25247 0.25455 0.25934 0.26510 0.27451 0.28119 0.28525 0.28777 0.28970 0.29322 0.29559 0.30450 0.30768 0.31412 0.31885 0.32907 0.33138 0.34166 0.34290 0.35004 0.35376 0.35910 0.36134 0.36746 0.37313 0.37593 0.38123 0.38670 0.39324 0.40078 0.40270 0.40777 0.41328 0.42587 0.43404 0.44061 0.44544 0.45917 0.46143 0.48373 0.50158 0.53027 0.55358 0.56510 0.57027 0.58027 0.58647 0.59742 0.60457 0.61240 0.62712 0.63868 0.64372 0.65090 0.65488 0.65739 0.66349 0.67238 0.67985 0.68298 0.69061 0.69780 0.71068 0.71283 0.71624 0.73758 0.73958 0.75246 0.76676 0.77037 0.78599 0.79006 0.80083 0.80173 0.80832 0.82723 0.83043 0.83805 0.84507 0.85898 0.86528 0.86991 0.87768 0.89250 0.90792 0.91679 0.93220 0.93818 0.94720 0.96554 0.96861 0.98243 0.99603 1.00063 1.00894 1.01817 1.02520 1.04070 1.05248 1.06170 1.06867 1.08617 1.10931 1.11745 1.13578 1.14330 1.15764 1.16144 1.17835 1.18251 1.19356 1.20906 1.22489 1.23092 1.26384 1.28850 1.30410 1.32749 1.37793 1.39066 1.39624 1.42367 1.44061 1.47020 1.53284 1.53990 1.55233 1.57186 1.59104 1.59688 1.60962 1.61976 1.62926 1.63488 1.64845 1.66330 1.66969 1.67605 1.70223 1.71301 1.72195 1.74626 1.76289 1.77500 1.78734 1.79304 1.80382 1.81074 1.82127 1.82207 1.83244 1.85812 1.87493 1.87821 1.88264 1.91140 1.94149 1.96048 1.97675 1.98077 1.99685 2.00377 2.00831 2.01891 2.04130 2.04747 2.06376 2.07208 2.08410 2.11849 2.12702 2.16108 2.17208 2.18806 2.21801 2.23017 2.24039 2.25313 2.28808 2.31440 2.32448 2.35051 2.36012 2.38951 2.42737 2.44639 2.47378 2.50200 2.52630 2.54204 2.54804 2.57063 2.57481 2.58481 2.60428 2.60865 2.64178 2.66897 2.67554 2.67842 2.69373 2.71434 2.72174 2.75901 2.76785 2.77302 2.79986 2.80808 2.81410 2.81659 2.82756 2.83162 2.84106 2.84790 2.85500 2.85617 2.87385 2.89465 2.91104 2.93186 2.93541 2.96853 2.98162 3.02011 3.03515 3.06412 3.08914 3.12591 3.13516 3.14821 3.16406 3.20797 3.31462 3.35539 3.43842 3.45689 3.49300 3.51626 3.59561 3.61987 3.63398 3.68434 3.72220 3.77026 3.77788 3.85481 3.87791 3.94511 3.97670 4.04154 4.05555 4.08616 4.12919 4.14540 4.16757 4.27195 4.29264 4.58549 4.64756 4.93732 5.36200 14.80720 23.72516 23.96888 24.05969 24.08705 24.13295 24.14217 24.15346 24.18003 24.24705 24.29832 24.32278 35.84091 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.38999 -0.38399 -0.34178 -0.33178 -0.31080 -0.00458 0.03676 0.03829 0.04414 0.04646 -0.00700 -0.00399 -0.00057 -0.00067 0.00184 0.00312 -0.00392 0.00468 -0.00673 0.00699 -0.01124 -0.00629 -0.00093 -0.00110 0.00294 0.00500 -0.00637 0.00772 -0.01097 0.01134 0.05384 0.01909 -0.00611 -0.01292 0.00671 -0.01935 -0.00498 0.01157 0.02444 0.00401 -0.04200 0.00032 0.01845 0.00467 -0.00274 0.00527 -0.00090 0.00910 -0.00460 0.02029 -0.00546 -0.04406 0.00787 -0.10186 0.07880 -0.08287 -0.08507 0.01368 0.07120 -0.01745 0.03027 0.01740 0.00250 0.00400 -0.00886 -0.01478 0.02047 -0.02920 0.03687 -0.03427 0.07742 0.02413 -0.00662 -0.02097 0.01232 -0.02795 -0.00822 0.01462 0.03525 0.00002 -0.06112 -0.00002 0.02512 0.00740 -0.00408 0.00816 -0.00077 0.01416 -0.01063 0.02407 -0.00732 -0.06926 0.01172 -0.16332 0.12463 -0.13090 -0.13102 0.02327 0.10974 -0.02470 0.04614 0.03944 0.00471 -0.00427 -0.01601 -0.03227 0.03779 -0.01744 0.05885 -0.16023 0.04657 0.03299 -0.01343 -0.02219 0.00545 -0.04717 -0.04613 0.02478 0.03416 0.04396 -0.03257 0.00112 0.06029 0.00724 -0.00732 -0.00055 0.02277 0.03591 0.02186 0.06261 -0.00362 -0.06161 0.01380 -0.14727 0.12439 -0.19799 -0.23263 0.02758 0.18977 -0.05965 0.00661 0.22098 -0.05979 0.06525 -0.04201 0.10281 -2.55482 -14.39424 0.00152 -2.79710 -0.02633 0.00969 -0.14317 -0.11259 0.09547 -0.14922 -1.42310 -2.89698 -0.01454 0.43388 0.05153 0.04226 0.15726 0.08185 -0.12132 0.00263 0.34396 -0.14486 0.43782 1.04263 0.00289 0.00108 0.02259 0.00135 -0.00280 -0.20874 -0.12307 0.36623 0.14055 -0.01872 -0.00021 0.00081 -0.00029 -0.00227 -0.00511 -0.00635 0.00351 0.00129 0.00251 0.00078 -0.00003 -0.00247 0.00037 0.00552 0.01929 0.02075 -0.00773 0.00126 -0.00181 0.00101 -0.00216 -0.00241 0.00122 -0.00925 -0.00734 -0.00663 0.01499 -0.00140 0.00016 -0.00011 0.00293 0.00188 0.00075 0.00092 0.00225 0.00281 -0.00111 -0.00390 -0.00014 -0.00378 0.02164 -0.00167 -0.01007 -0.00282 0.00025 -0.00229 0.00335 0.00424 0.00349 0.00282 0.02259 -0.00030 0.00447 -0.00073 0.00188 0.00078 -0.00071 0.00235 0.00004 0.00221 0.03639 -0.00043 0.00694 -0.00120 0.00304 0.00127 -0.00110 0.00396 0.00019 0.00380 -0.08291 -0.02571 -0.00082 -0.00078 0.01657 0.01522 -0.00146 -0.00109 -0.01130 -0.00031 0.12134 -0.01106 -0.06234 -0.00625 0.01141 0.00143 -0.00307 0.00478 0.00351 0.00088 0.01453 -0.02752 0.00529 -0.00391 0.12602 0.09686 -0.00520 -0.00325 -0.02976 0.00562 -0.09605 0.00047 -0.02035 0.00337 -0.00807 -0.00402 0.00071 -0.01698 -0.00399 -0.02028 -0.12145 -0.03838 -0.00196 -0.00128 0.02639 0.02258 -0.00337 -0.00288 -0.01987 -0.00464 0.18031 -0.01673 -0.08716 -0.00890 0.01740 0.00211 -0.00378 0.00854 0.00293 -0.00110 0.02244 -0.04355 0.00942 -0.00608 0.20163 0.14953 -0.00837 -0.00665 -0.04835 0.00758 -0.18093 0.01665 -0.10641 0.00696 -0.02054 -0.00073 0.05632 0.01215 0.07209 0.09474 -0.09931 0.00558 -0.03422 -0.00601 0.01342 0.03282 0.00205 0.02668 0.01649 0.04998 0.10895 0.01026 -0.13918 -0.01296 0.01423 0.00675 -0.04504 -0.07060 0.05940 -0.00758 0.02055 -0.03980 0.01107 -0.00670 0.20311 0.25387 -0.01068 -0.00489 -0.07976 0.01667 0.19109 0.03602 -0.07246 0.20803 -0.16710 -0.01070 0.92683 -4.89188 2.66028 7.00473 -0.04072 0.07121 -0.23461 -0.06073 0.09106 0.20368 -1.66993 -4.37112 -0.34008 2.04045 0.03321 0.01816 -0.17615 -0.02536 0.08286 0.11251 -1.13294 -6.04150 0.27189 -1.14246 0.00683 -0.01213 0.03555 0.02588 0.03860 0.39239 0.29326 0.57616 0.17996 -0.44483 -0.00256 -0.00043 -0.00003 -0.00402 0.00243 -0.00185 -0.00551 0.00339 0.00261 -0.00073 -0.00024 0.00427 -0.00051 0.01654 -0.00904 0.01184 0.01835 -0.00384 -0.01867 0.00361 0.00027 -0.00886 0.00059 0.01109 0.00403 -0.00344 0.02445 0.00177 0.01584 -0.00122 0.00322 0.01137 -0.00559 0.00294 -0.00583 -0.00615 0.00976 0.00263 0.01139 -0.00199 0.01099 -0.00701 -0.00972 0.00069 0.00447 0.00313 -0.00020 -0.00402 -0.00498 -0.00274 -0.00148 0.00434 0.01360 0.00063 -0.00272 -0.00238 0.00240 0.00611 0.00388 -0.00134 -0.00230 0.00691 0.02210 0.00101 -0.00440 -0.00387 0.00392 0.01011 0.00628 -0.00210 -0.03038 0.00397 -0.06449 0.01995 0.00248 -0.00358 0.02952 0.00459 0.01126 0.00256 -0.05218 0.02208 0.05902 0.00333 -0.01149 -0.00769 0.00580 -0.00211 0.01501 0.00364 0.01198 -0.04933 0.00974 0.11645 0.03026 -0.00325 0.14681 -0.00139 0.03475 0.00040 0.00604 -0.01978 -0.06700 -0.00307 0.01370 0.01276 -0.01327 -0.03654 -0.01861 0.00472 -0.04796 0.00328 -0.10266 0.03283 0.00539 -0.00414 0.04584 0.01058 0.01327 0.00371 -0.07427 0.03023 0.08989 0.00487 -0.01652 -0.01050 0.00913 -0.00567 0.02313 0.00751 0.01893 -0.07894 0.01578 0.19139 0.05064 -0.00426 0.23330 -0.00456 0.05458 -0.00145 0.00879 -0.03816 -0.12070 -0.00427 0.01804 0.01337 -0.02228 -0.00789 -0.12101 0.04452 -0.05604 0.01005 -0.06171 0.03089 0.00148 -0.00763 0.06814 -0.07803 0.06051 -0.00133 -0.09105 0.05494 -0.08764 -0.00534 -0.01812 -0.01293 -0.00855 0.00909 0.05777 0.05414 0.02023 -0.07018 0.00635 0.16717 0.04021 -0.02265 0.38075 0.01622 0.07854 0.01310 0.10296 -0.07617 0.06882 -0.02984 -0.15929 -0.31760 3.87578 29.98180 -4.13928 -0.54142 -0.01232 0.04967 0.09288 0.03166 -0.08468 -0.20698 -0.47345 -5.68880 0.60664 0.33598 0.08207 0.03590 -0.13033 -0.00378 -0.02437 -0.14736 -0.64909 -2.17737 0.93744 5.07731 0.00868 -0.01376 -0.02092 -0.02419 -0.03400 -0.18924 0.40068 0.65656 -0.40251 -0.15686 0.00097 0.00248 0.00217 0.00102 0.00514 0.00780 -0.00203 0.00256 0.00574 -0.00075 -0.00064 -0.00958 0.00177 -0.00414 -0.01607 -0.02211 0.00414 -0.00311 -0.02218 0.00378 -0.00056 0.00611 0.00571 0.01122 -0.01423 -0.01309 -0.01092 0.00329 0.01873 -0.00388 0.01242 0.00103 -0.00657 -0.00085 -0.00137 -0.00233 -0.00080 -0.00092 -0.00566 0.00305 0.00072 0.00108 -0.03735 0.00039 -0.00089 -0.00202 -0.00175 0.00201 0.00503 0.00053 0.00123 -0.00161 -0.01025 -0.00046 0.00134 0.00120 -0.00050 0.00310 -0.00183 0.00074 0.00197 -0.00261 -0.01638 -0.00072 0.00216 0.00195 -0.00076 0.00532 -0.00308 0.00110 -0.01030 0.00147 0.04517 0.02070 -0.00454 0.00007 -0.01479 0.00263 0.01700 -0.00096 0.02457 -0.00910 -0.07398 -0.00312 0.00581 0.00313 -0.00164 0.00092 -0.00243 0.00304 0.00008 0.04144 -0.01358 0.11689 -0.01196 0.00560 -0.09170 0.01853 0.09392 -0.02040 -0.00626 0.00774 0.04543 0.00164 -0.00635 -0.00609 0.00084 -0.02757 0.01281 0.00056 -0.00989 0.00413 0.06659 0.03354 -0.00700 0.00020 -0.02349 0.00142 0.02773 0.00110 0.03751 -0.01390 -0.10209 -0.00425 0.00852 0.00481 -0.00185 0.00343 -0.00527 0.00485 -0.00092 0.06709 -0.02122 0.19088 -0.01976 0.00832 -0.14414 0.02959 0.14586 -0.03267 0.00822 -0.00139 0.14807 0.01062 -0.00967 -0.00661 0.01722 0.06846 -0.01183 -0.04123 -0.01712 -0.01201 0.11992 0.03411 -0.00391 -0.00199 -0.02856 -0.01972 0.05665 -0.05144 0.02238 -0.00799 -0.15988 -0.00907 0.00668 0.00075 -0.00766 0.08003 -0.01939 0.01251 -0.00001 0.05984 -0.02806 0.17595 -0.01514 0.02284 -0.24415 0.05390 0.26698 -0.05033 0.00037 0.07150 0.03222 -0.07056 -0.04426 -0.03430 0.07241 9.30781 -3.18526 -4.90233 0.03884 -0.00818 -0.06450 0.06803 0.04695 0.21593 -0.45585 -8.17516 2.47672 4.81526 0.22870 0.00502 -0.23191 -0.00507 -0.00117 0.06554 0.86062 11.32730 -1.94800 2.47928 -0.00931 -0.01362 0.01243 0.01971 0.03365 0.06916 -0.13016 1.73442 0.38615 -0.79024 -0.00033 -0.00042 0.00068 -0.00213 -0.00592 0.00640 -0.00292 0.00202 -0.00098 -0.00019 0.00032 0.00143 0.00179 0.00709 0.01974 -0.02247 0.01057 -0.00021 0.00325 -0.00003 -0.00293 0.01333 0.00101 -0.00919 0.00508 -0.01467 -0.02601 -0.00252 -0.01694 0.00201 -0.00683 0.00290 -0.00576 0.00149 0.00246 -0.00523 0.00336 0.00344 0.00147 -0.00221 0.00657 0.00015 -0.00488 -0.00185 0.00141 -0.00163 -0.00454 0.00532 -0.00550 -0.00053 0.00265 0.00005 0.00672 0.00027 0.00001 0.00032 0.00012 0.00592 -0.00212 0.00172 0.00420 0.00008 0.01083 0.00044 0.00002 0.00052 0.00023 0.00964 -0.00343 0.00285 -0.00376 0.00962 -0.03183 -0.00104 -0.02013 0.01676 0.00041 0.01209 -0.00934 -0.00067 -0.01619 0.00297 0.01622 0.00074 0.00134 -0.00184 -0.00074 -0.01595 0.00537 -0.00028 0.00362 0.00889 -0.00031 -0.00471 -0.12463 0.11100 -0.01140 -0.00717 -0.03976 0.00775 -0.01210 -0.00005 -0.03282 -0.00121 -0.00014 -0.00178 -0.00140 -0.03111 0.00917 -0.01425 -0.00506 0.01384 -0.04680 -0.00190 -0.03216 0.02630 -0.00008 0.01662 -0.01426 -0.00376 -0.02224 0.00383 0.02258 0.00105 0.00237 -0.00285 0.00013 -0.01890 0.00550 -0.00390 0.00559 0.01491 -0.00119 -0.00750 -0.19960 0.17384 -0.01727 -0.01039 -0.06127 0.01176 -0.02297 -0.00431 -0.00727 -0.00335 -0.00111 -0.01164 0.00051 -0.10890 0.05909 0.01281 -0.00556 0.00514 -0.02069 -0.00052 -0.02889 0.03877 0.00255 -0.03313 -0.01115 -0.02465 -0.02856 -0.00216 0.05552 0.00368 0.00361 0.00214 -0.00652 -0.10255 0.02644 0.01577 0.00495 0.01162 -0.00439 -0.00861 -0.19238 0.25862 -0.03939 -0.01251 -0.12650 0.02895 0.08223 -0.00836 -0.20135 0.07280 0.08622 0.07021 -2.00632 -23.12084 5.39460 7.08760 0.06271 0.00725 0.06885 0.07269 -0.02371 0.10278 0.21374 -3.64906 0.60513 -1.13786 -0.00978 -0.00090 0.10333 0.01672 -0.00151 0.07227 0.19502 -0.66795 0.34327 -1.60419 -0.00932 0.01403 -0.01229 -0.01093 -0.03691 0.16252 -0.11424 0.45023 -0.49526 0.21842 -0.00058 -0.00127 -0.00046 -0.00458 -0.00033 -0.00110 0.00540 0.00140 -0.00545 -0.00013 -0.00135 0.00471 -0.00045 0.01784 0.00259 0.00502 -0.02031 0.00512 0.01646 -0.00364 -0.00200 0.00347 0.00202 0.01214 0.00894 0.00624 -0.01702 0.00151 -0.00054 -0.00017 0.00562 0.00296 -0.00312 0.00300 0.00043 0.00041 -0.00335 -0.00434 0.00482 -0.00323 0.00702 0.00039 -0.01212 0.00143 0.00197 0.00099 -0.00262 -0.00339 0.00131 -0.00182 0.00804 0.00147 -0.00070 -0.00028 0.00002 -0.00097 0.00147 0.00672 0.00196 0.00511 0.01285 0.00237 -0.00115 -0.00044 0.00001 -0.00157 0.00241 0.01077 0.00321 0.00817 -0.03866 -0.01505 0.00865 -0.01563 -0.01172 -0.00860 0.01329 0.01585 -0.01069 0.02095 0.05003 0.00240 -0.02164 0.00153 0.00346 -0.00099 0.00008 0.00368 0.00770 -0.00108 0.01311 -0.01893 -0.00257 -0.10406 -0.07844 -0.06586 0.09434 -0.01315 -0.03076 0.00536 -0.03849 -0.00699 0.00396 0.00122 -0.00000 0.00438 -0.00741 -0.02915 -0.00904 -0.02114 -0.05559 -0.02223 0.01196 -0.02513 -0.01853 -0.01388 0.01980 0.01647 -0.01610 0.02003 0.06974 0.00460 -0.02796 0.00260 0.00450 -0.00200 0.00045 0.00373 0.01172 -0.00262 0.01962 -0.03048 -0.00358 -0.16704 -0.12488 -0.10496 0.14389 -0.01965 -0.05160 0.01036 -0.04991 -0.00547 -0.00099 0.00466 0.00018 0.02069 -0.03804 -0.23431 -0.03182 -0.15948 -0.04856 -0.02402 0.00669 -0.02153 -0.01663 -0.01118 0.03839 0.07460 -0.03656 0.12759 0.05401 -0.00221 -0.00325 0.00442 0.00712 0.00289 0.00910 -0.00135 0.02562 -0.02861 0.01701 -0.02430 -0.00233 -0.15142 -0.12219 -0.15180 0.26506 -0.03530 -0.06230 0.00390 -0.06382 -0.10076 -0.12050 -0.16841 0.20518 0.11005 0.37965 8.39151 -1.62410 -2.49279 -0.03051 -0.02466 -0.04093 -0.03173 0.03052 0.03749 0.32317 4.90472 -0.60094 3.22234 0.03561 0.02061 0.12628 0.09584 -0.07542 0.08590 0.77777 0.71079 -0.09428 -1.41816 0.00619 -0.00683 0.01176 -0.01654 -0.02387 -0.11064 0.31600 -0.69279 0.07331 -0.55036 -0.00099 0.00096 -0.00013 0.00219 -0.00028 0.00048 0.00213 0.00255 -0.00348 0.00191 -0.00047 -0.00287 0.00040 -0.00624 -0.00226 0.00349 -0.00669 0.00125 0.00596 -0.00157 -0.00045 0.00439 -0.00045 0.00881 -0.02062 0.02522 0.00926 -0.00332 -0.01504 0.00319 0.00561 0.00367 -0.00319 -0.00040 -0.00147 0.00063 0.00022 0.00703 0.00075 0.00415 0.00201 0.00068 -0.00397 0.00123 -0.00307 0.00392 0.00135 0.00122 -0.00467 -0.00093 0.02867 -0.00676 -0.01696 -0.00236 0.00199 -0.00161 0.00173 0.00151 0.00411 -0.00249 0.04585 -0.01188 -0.02237 -0.00282 0.00324 -0.00459 0.00883 -0.01470 0.00867 -0.02767 0.04015 -0.00140 -0.00605 -0.00471 -0.00534 -0.01476 -0.01997 0.23821 0.04861 0.42104 0.01844 0.01076 0.02536 0.00631 -0.02696 -0.11447 -0.09372 0.67207 0.29625 1.90252 0.00386 -0.00031 -0.00050 -0.00107 0.00100 -0.00136 -0.00106 -0.00312 0.00069 -0.00464 -0.00205 -0.00058 0.00070 0.00036 -0.00055 -0.00031 0.00120 -0.00508 0.00059 -0.00591 -0.00055 -0.00350 0.00061 -0.00843 0.00654 -0.00948 -0.01132 0.00220 0.00785 -0.00114 -0.00416 0.00107 0.00354 0.00030 -0.00065 -0.00091 0.00136 0.00684 -0.00096 -0.00569 -0.00662 0.00171 0.00576 0.00049 -0.00106 -0.00148 0.00225 0.01114 -0.00157 -0.00936 -0.01561 0.02195 -0.01261 0.00067 0.01339 -0.02087 -0.00569 0.00702 -0.01693 -0.00680 -0.02052 0.00831 0.02610 0.00148 -0.00314 -0.00190 -0.00008 -0.01915 0.00959 0.01165 -0.00980 0.09058 0.00235 0.00312 0.08130 -0.11367 -0.04133 -0.01440 -0.08628 0.01361 0.01967 -0.00507 -0.01762 -0.00145 0.00321 0.00491 -0.00776 -0.03526 0.00539 0.03444 -0.02179 0.03377 -0.01741 0.00106 0.02182 -0.03260 -0.00914 0.00504 -0.02470 -0.01033 -0.02838 0.01129 0.03917 0.00224 -0.00441 -0.00270 0.00114 -0.02019 0.01049 0.00748 -0.01629 0.14578 0.00324 0.00491 0.13116 -0.17801 -0.06352 -0.02080 -0.13337 0.02163 0.02296 0.00133 -0.01205 -0.00212 0.00281 0.01136 -0.01797 -0.17616 0.03971 0.09109 -0.01477 0.02881 -0.06262 -0.00168 0.01953 -0.04826 -0.01469 0.11200 -0.07040 -0.01959 -0.02295 0.00662 0.05848 0.00284 -0.00524 -0.00441 -0.00384 -0.05231 0.03307 0.05403 -0.01375 0.12095 0.01077 0.00539 0.12076 -0.27304 -0.11830 -0.05713 -0.24410 0.03677 -0.22526 -0.07786 0.39934 -0.03742 0.09556 0.18360 -0.44595 -9.00828 1.25659 -6.83682 0.13715 0.00184 0.03021 0.00459 0.00931 0.05487 0.64823 6.32050 -1.76894 -3.91266 0.09605 0.01690 -0.03685 0.01508 -0.01560 -0.00171 0.11326 1.20223 0.06786 0.91935 -0.02313 0.01274 -0.00687 0.00229 -0.00190 -0.24822 -0.27663 -1.25335 -0.24517 0.68329 0.00115 -0.00210 -0.00030 0.00546 -0.00293 -0.00147 -0.00838 0.00293 0.00001 0.00016 -0.00170 0.00608 0.00223 -0.01767 0.00965 0.00566 0.02674 -0.00095 -0.00284 0.00176 0.00040 -0.00454 0.00307 -0.01149 0.00018 0.00055 0.01231 -0.00176 -0.01520 0.00212 0.00228 0.00131 -0.00709 -0.00332 0.00245 0.00159 0.00423 -0.00018 -0.00136 0.00102 -0.00042 -0.00120 -0.01466 -0.00239 0.00049 0.00011 0.00126 -0.00657 -0.00043 0.00591 -0.01778 -0.00194 0.02953 0.00055 -0.00084 0.00017 -0.00055 -0.00217 -0.00090 0.00376 -0.02661 -0.00222 0.04441 0.00072 -0.00151 -0.00023 -0.00263 -0.02341 0.00442 -0.00380 -0.01393 -0.00135 0.02379 0.00028 -0.00156 -0.00327 0.02813 0.34701 -0.12335 0.01370 0.02064 -0.00090 0.00168 0.00604 -0.00606 -0.01998 0.14972 1.42167 -0.61874 -0.23682 -0.00087 0.00077 -0.00082 -0.00005 -0.00176 0.00179 -0.00063 -0.00336 -0.00042 -0.00188 -0.00002 0.00033 -0.00016 0.00002 0.00009 -0.00016 0.00053 0.00687 -0.00213 0.00061 0.00035 0.00102 -0.00034 -0.00040 -0.01044 0.01184 -0.00198 -0.00031 -0.00777 0.00166 0.02825 0.01092 -0.00845 0.00013 -0.00064 -0.00105 0.00162 0.00086 0.00262 -0.00185 0.04621 0.01595 -0.01462 0.00027 -0.00056 -0.00095 0.00477 -0.01010 0.00736 -0.02499 0.01884 0.00562 -0.01000 0.00089 -0.00077 -0.00074 0.02021 0.40250 -0.02836 0.51670 -0.00873 -0.00282 -0.01636 -0.00308 0.00921 0.02793 0.11703 2.88742 -0.27314 3.37825 0.00151 -0.00002 -0.00017 -0.00137 -0.00091 -0.00096 0.00134 -0.00583 -0.00059 -0.00538 0.00316 0.00025 -0.00167 0.00015 0.00024 -0.00006 -0.00003 0.00015 0.00037 -0.00110 0.00030 -0.00168 -0.00007 -0.00874 -0.00671 -0.00816 0.01143 -0.00077 -0.00537 0.00202 -0.00603 0.00058 -0.01160 -0.00035 -0.00031 -0.00062 0.00107 0.00689 -0.00055 -0.00732 -0.00962 0.00091 -0.01857 -0.00056 -0.00049 -0.00101 0.00174 0.01106 -0.00084 -0.01171 0.01122 0.00779 0.03851 -0.01663 0.01126 0.01092 0.01969 -0.01190 0.00326 0.01381 -0.02732 0.00072 -0.06893 -0.00166 -0.00050 -0.00137 -0.00116 -0.01473 0.00804 0.02095 -0.01555 0.07271 -0.00186 -0.09899 0.06564 0.05821 0.11810 -0.00236 0.00732 0.00193 0.02826 -0.00252 0.05411 0.00162 0.00146 0.00306 -0.00523 -0.03148 0.00144 0.03069 0.01555 0.01370 0.05062 -0.02707 0.01807 0.01719 0.03115 -0.01125 0.00253 0.01351 -0.04000 0.00061 -0.09717 -0.00231 -0.00085 -0.00216 -0.00125 -0.01966 0.01087 0.02416 -0.02451 0.11680 -0.00101 -0.15942 0.10431 0.09324 0.18264 -0.00493 0.00976 0.00488 0.04459 -0.00628 0.13945 0.00481 0.00315 0.00987 -0.02609 -0.22622 0.05365 0.23956 0.01961 0.01143 0.04431 -0.02657 0.01885 0.03192 0.05015 -0.04576 0.01894 0.08163 -0.03384 -0.00050 -0.10605 -0.00339 -0.00021 -0.00291 -0.00321 -0.05310 0.02660 0.08191 -0.02185 0.09876 -0.00026 -0.14780 0.10735 0.14184 0.32803 -0.00288 0.03343 -0.00395 0.02148 0.06778 0.01113 0.04694 -0.11056 -0.36877 -0.54138 -3.98689 1.01058 5.11728 0.06373 -0.00342 0.03272 -0.00257 0.02504 0.14024 0.18715 0.72859 -0.04669 -0.12899 -0.07627 -0.01405 -0.05159 -0.01648 0.01802 0.05362 -0.31094 -2.94622 0.93331 3.45547 -0.01530 0.01378 -0.00336 -0.02259 0.02208 0.11385 0.38302 -0.05961 0.12914 0.08943 0.00034 0.00325 0.00121 0.00190 0.00388 -0.00735 0.00011 0.00114 -0.00695 -0.00045 0.00155 -0.01090 0.00054 -0.00527 -0.01202 0.02323 0.00049 0.00436 0.01861 -0.00436 0.00043 -0.00006 0.00052 0.01010 0.00344 -0.00947 0.01085 -0.00362 -0.01252 0.00353 -0.00044 -0.00115 0.00047 -0.00092 -0.00213 0.00465 -0.00046 -0.00241 0.00355 0.00360 0.00112 -0.00154 -0.00620 0.00156 0.00093 -0.00159 0.00243 0.00573 -0.00449 -0.00459 0.00472 0.00002 0.01187 0.00047 0.00012 0.00078 0.00006 0.00502 -0.00227 -0.00377 0.00761 0.00001 0.01926 0.00077 0.00019 0.00127 0.00009 0.00793 -0.00364 -0.00592 -0.01259 0.00396 -0.01812 -0.01878 -0.00858 0.01633 -0.01650 -0.01040 0.01648 0.01157 0.02663 0.00242 0.07419 0.00336 0.00021 0.00085 -0.00045 -0.00236 -0.00230 0.00043 -0.00174 -0.01207 0.00931 -0.10102 -0.04746 0.08397 -0.08478 0.01956 0.08083 -0.02020 -0.02150 0.00002 -0.05799 -0.00230 -0.00065 -0.00396 -0.00005 -0.01994 0.00891 0.01334 -0.01727 0.00545 -0.02106 -0.03033 -0.01371 0.02629 -0.02616 -0.01522 0.02521 0.01634 0.04210 0.00297 0.11582 0.00534 0.00048 0.00196 -0.00066 -0.00423 -0.00496 0.00299 -0.00355 -0.01809 0.01373 -0.16442 -0.07547 0.13508 -0.13440 0.03072 0.12656 -0.03051 -0.03518 0.00101 -0.09919 -0.00763 0.00100 -0.00960 -0.00781 -0.16402 0.09621 0.17103 -0.00662 0.00742 -0.00693 -0.02446 -0.01422 0.03549 -0.04402 -0.01635 0.03580 0.01049 0.00134 0.00417 0.02489 0.00460 -0.00111 -0.00509 0.00954 0.04369 -0.02908 -0.07693 -0.00399 -0.01943 0.00910 -0.14491 -0.07806 0.18440 -0.22326 0.04946 0.22111 -0.05527 -0.21423 -0.08371 -0.16914 -0.08155 0.11152 0.24292 -0.36464 -2.97811 1.24884 3.09489 0.04548 0.01905 0.04813 0.02251 -0.03407 -0.07891 -0.03244 -0.84639 0.10288 0.60285 -0.05462 0.00267 -0.02121 -0.00171 -0.00942 -0.05329 -0.05183 -0.54571 0.10123 0.24285 -0.00658 -0.01137 -0.01047 -0.01588 -0.01138 0.15529 -0.27881 0.11066 0.18705 -0.20718 0.00049 0.00000 0.00113 -0.00175 -0.00070 -0.00208 0.00245 0.00246 -0.00201 -0.00179 0.00272 0.00028 0.00541 0.00558 0.00278 0.00684 -0.00549 0.00080 0.00483 -0.00118 -0.00028 0.01549 0.00512 -0.00838 0.01854 0.02319 0.02389 0.00144 0.01464 -0.00214 -0.01117 0.00311 -0.03007 0.00010 0.00059 0.00056 0.00051 0.00601 0.00266 -0.00407 -0.00890 0.00352 -0.02497 -0.00235 0.00341 0.00374 0.00431 -0.00163 0.00491 0.00327 -0.00574 0.00251 0.03463 0.00111 -0.00205 -0.00078 0.00113 -0.00115 0.00155 -0.00222 -0.00998 0.00424 0.04794 0.00153 -0.00338 -0.00154 0.00026 -0.01759 0.01064 0.02094 -0.00170 0.00244 0.02186 0.00038 -0.00221 -0.00366 0.04299 0.44247 -0.16151 -0.36121 -0.00495 -0.00050 0.00406 -0.00403 0.00357 0.01106 0.20997 2.59440 -0.92459 -1.82756 -0.00111 0.00190 -0.00049 0.00006 0.00102 -0.00218 -0.00118 -0.00456 -0.00049 0.00214 -0.00041 0.00018 0.00037 0.00004 -0.00008 -0.00032 0.00096 0.00598 -0.00188 -0.00689 -0.00080 0.00723 0.00009 0.00017 0.00665 -0.01199 -0.00527 -0.00107 -0.01311 0.00160 -0.00838 -0.00304 -0.02920 -0.00108 0.00009 -0.00043 0.00030 0.00111 0.00100 0.00088 -0.01597 -0.00416 -0.05308 -0.00157 -0.00018 -0.00184 -0.00052 -0.01265 0.00828 0.02861 -0.00604 -0.00289 -0.02396 -0.00078 0.00058 -0.00517 0.03906 0.40367 -0.13692 -0.59153 0.00837 0.00003 0.00958 0.00297 -0.00300 -0.03925 0.23164 2.25527 -0.81580 -3.66837 0.00150 0.00076 0.00439 -0.00136 0.00099 0.00136 0.00289 0.00267 -0.00103 -0.00400 -0.00001 0.00013 -0.00083 -0.00001 -0.00001 -0.00011 0.00058 0.00564 -0.00151 -0.00677 -0.00133 0.00586 -0.00036 -0.00830 0.00549 0.00718 0.01507 -0.00110 0.00057 0.00132 -0.02322 0.00686 -0.05370 -0.00149 0.00001 -0.00058 0.00088 0.00104 0.00207 0.00074 -0.04053 0.01017 -0.09676 -0.00264 -0.00042 -0.00191 0.00239 -0.00634 0.00283 0.00708 -0.02314 0.00174 -0.06824 -0.00416 0.00181 0.00350 0.00910 0.21887 -0.03094 -0.19433 -0.01625 -0.00165 -0.02834 -0.00960 0.00432 0.04087 0.02544 1.38915 -0.33265 -1.25260 0.00105 -0.00036 0.00206 -0.00143 -0.00064 0.00189 -0.00155 0.00456 0.00146 -0.00418 0.00156 0.00019 0.00425 0.00017 0.00001 -0.00002 0.00004 -0.00054 0.00032 0.00019 -0.00050 -0.00071 0.00008 -0.00805 -0.00360 0.01029 -0.01000 0.00132 0.01024 -0.00147 -0.01697 0.00017 -0.03490 -0.00124 -0.00061 -0.00187 0.00145 0.00311 0.00291 -0.00133 -0.02745 0.00028 -0.05670 -0.00202 -0.00100 -0.00306 0.00241 0.00500 0.00482 -0.00211 0.03393 -0.02516 0.11553 0.00324 -0.01749 -0.01825 -0.00701 -0.00718 -0.02126 -0.00007 -0.06721 0.00215 -0.17982 -0.00585 0.00027 -0.00346 0.00230 0.00277 0.00946 0.00331 -0.00002 -0.07301 -0.02204 -0.00001 -0.08929 -0.10255 -0.03620 -0.01227 -0.09090 0.01436 0.07913 -0.00086 0.16056 0.00577 0.00333 0.00961 -0.00854 -0.01535 -0.01540 0.00685 0.05277 -0.03789 0.17162 0.00480 -0.02667 -0.02784 -0.01007 -0.00960 -0.03079 -0.00148 -0.10024 0.00342 -0.26391 -0.00873 0.00037 -0.00493 0.00357 0.00400 0.01530 0.00566 -0.00022 -0.11316 -0.03250 0.00028 -0.13715 -0.15463 -0.05284 -0.01732 -0.13519 0.02251 0.12528 0.00139 0.27599 0.01106 0.00192 0.01467 -0.00497 -0.01406 -0.04138 -0.00215 0.03315 -0.03239 0.14516 0.00547 -0.02587 -0.03220 -0.01744 -0.01907 -0.05890 -0.00615 -0.08088 0.00055 -0.22985 -0.00528 0.00107 -0.00524 0.00426 0.02044 -0.00769 -0.02695 0.00324 -0.10203 -0.02900 -0.00046 -0.13614 -0.19888 -0.07941 -0.03195 -0.19893 0.02845 0.10153 -0.03072 0.18874 0.01429 0.02014 0.01257 0.10649 0.97962 -0.16665 -0.77304 -0.02715 0.01358 -0.01121 0.00579 -0.01506 -0.03755 -0.01715 -0.03456 -0.09856 0.02204 -0.01286 0.01228 -0.04209 0.00070 -0.00846 -0.00885 0.01670 0.12991 -0.19091 -0.26236 0.00361 -0.00617 0.00393 0.01261 -0.00792 -0.12216 -0.05101 0.06839 -0.16573 0.08451 0.00529 -0.00240 0.01129 0.00463 0.00043 -0.00216 0.00556 0.00012 -0.00210 0.00071 0.00068 0.00541 0.00371 -0.01314 -0.00116 0.00797 -0.01810 0.00216 0.00432 -0.00179 -0.00144 -0.00496 -0.00051 -0.00811 -0.01044 -0.00041 -0.01085 0.00155 0.00460 -0.00120 0.00046 0.00151 0.00248 -0.00249 0.00006 0.00255 -0.00449 -0.00199 -0.00071 0.00160 0.00629 -0.00259 0.00580 -0.00138 -0.00145 0.00008 -0.00219 -0.00086 -0.00010 -0.00025 -0.00438 -0.00259 -0.00149 0.00008 0.00126 -0.00034 0.00082 -0.00094 -0.00041 -0.00231 -0.00663 -0.00401 -0.00225 0.00011 0.00204 -0.00048 0.00123 -0.00141 -0.00060 -0.00391 0.07025 0.10024 -0.02399 -0.00145 -0.03304 -0.03966 0.02861 0.01220 0.06751 -0.01364 -0.12760 0.04893 0.03939 0.00369 -0.02165 -0.01553 0.01429 0.00217 0.02771 -0.00503 0.00965 0.07594 0.00031 -0.00192 0.00373 0.05976 -0.04751 -0.01737 -0.10593 0.01323 0.01408 0.01155 0.00357 0.00042 -0.00708 0.00201 0.00188 -0.00225 -0.00110 0.01531 0.09872 0.13534 -0.02937 -0.00176 -0.05051 -0.06412 0.04493 0.01712 0.10785 -0.02474 -0.17487 0.06609 0.05638 0.00552 -0.03223 -0.02668 0.02139 -0.00064 0.04344 -0.01093 0.01324 0.10477 -0.00046 -0.00282 0.00555 0.09568 -0.07349 -0.02444 -0.16850 0.01338 0.02874 0.00405 0.00133 -0.02464 0.02035 -0.01924 -0.20078 0.08881 0.07355 -0.05024 0.05143 0.07169 -0.01075 0.01155 -0.05656 -0.13907 0.12100 0.20545 0.09960 0.03303 -0.09847 0.02846 0.03675 0.01327 -0.03004 -0.06077 0.04446 -0.17348 0.04021 -0.19032 0.00409 0.04905 -0.00789 0.00219 -0.00632 0.06702 -0.16474 -0.06101 -0.37250 0.07222 0.14515 -0.01042 -0.01561 -0.01701 -0.03305 -0.00497 0.19090 0.37153 -0.04813 -1.12794 0.02365 0.08449 0.00290 0.07534 0.00546 -0.18367 0.37630 1.01445 0.04086 1.46720 -0.02077 0.03110 0.05538 0.03843 0.02669 -0.03053 0.18122 0.04735 0.14198 0.12596 0.00496 0.04837 0.00454 0.03634 0.01594 -0.00400 -0.18844 -0.00595 -0.53173 0.86419 0.01052 0.00194 -0.00209 -0.00083 -0.00001 -0.00032 -0.00055 0.00505 0.00339 0.00510 0.01453 0.00886 -0.00458 0.00126 -0.01179 -0.01004 0.00668 -0.00098 0.00184 -0.00102 0.00821 -0.01546 -0.00501 -0.00047 0.01820 0.01593 -0.00050 -0.00182 -0.00890 0.00286 0.01485 0.01785 -0.00505 -0.00084 -0.00654 -0.00605 -0.00213 0.00173 0.00274 0.00215 0.02449 -0.01343 -0.00525 -0.00133 0.00653 0.00437 0.00025 0.00310 -0.00031 0.00384 -0.00711 -0.01322 0.00699 0.00088 0.00500 0.00340 -0.00072 0.00712 -0.00318 0.00537 -0.01147 -0.02123 0.01128 0.00143 0.00797 0.00552 -0.00102 0.01134 -0.00515 0.00864 -0.08588 -0.11151 0.00737 0.00107 0.03648 0.01723 -0.00439 -0.00634 -0.01042 0.00317 0.04832 -0.00309 -0.03439 -0.00457 -0.00113 0.00012 -0.00153 0.00122 0.00370 0.00686 -0.01136 -0.05080 0.01435 -0.00053 0.00434 -0.00241 0.00316 -0.00003 0.01326 -0.00354 0.03131 0.05776 -0.03311 -0.00467 -0.02224 -0.01893 -0.00137 -0.02796 0.01536 -0.02371 -0.12628 -0.16320 0.01055 0.00276 0.05069 0.02357 -0.00054 -0.01048 -0.01233 0.00427 0.06672 -0.00317 -0.04982 -0.00644 -0.00334 -0.00148 -0.00305 0.00063 0.00823 0.01096 -0.01726 -0.07400 0.02202 -0.00042 0.00555 -0.00204 0.00471 -0.00303 0.01756 -0.00416 0.02467 0.05702 -0.03316 -0.00313 -0.01261 0.01793 0.04376 -0.18048 0.05163 -0.12066 -0.10647 -0.13819 0.00646 -0.00256 0.04565 0.01051 -0.04122 0.00876 -0.04041 0.01562 0.06383 0.00057 -0.03197 -0.00547 -0.00191 0.00696 0.01526 0.02047 0.00993 0.01739 -0.00912 -0.05740 0.01653 -0.00160 0.00409 -0.00669 -0.00966 0.04400 0.02025 -0.01315 -0.04111 -0.09133 -0.02215 -0.09157 -0.00427 -0.17057 0.03555 -2.10380 0.59834 -1.84315 0.01966 0.02769 -0.00292 0.01748 -0.00403 0.03880 0.04438 0.08812 -0.15600 0.28980 0.01512 -0.01551 0.00107 -0.02163 -0.01047 -0.02520 -0.00566 0.04811 0.11842 0.06147 0.00733 0.02795 -0.00031 0.01511 -0.00710 0.00595 0.01305 -0.15596 -0.06569 0.01666 0.00265 -0.00220 -0.00340 -0.00034 -0.00087 -0.00498 0.00369 0.00221 0.01083 -0.00088 0.00907 0.00488 -0.00069 -0.00023 -0.00255 -0.00633 0.00561 0.00112 0.01324 -0.00305 0.00774 -0.00551 -0.00622 -0.00045 0.00163 0.00198 -0.00039 0.00010 -0.00235 0.00021 0.00424 0.00467 -0.00575 -0.00078 0.00252 0.00811 -0.00655 -0.00255 -0.01085 0.00185 0.00750 -0.00578 -0.00288 -0.00044 0.00153 0.00019 -0.00194 -0.00022 -0.00238 0.00022 -0.03882 -0.03009 -0.01155 -0.00013 0.01907 0.02226 -0.01515 -0.00480 -0.03371 0.00792 -0.05609 -0.04764 -0.01273 -0.00157 0.02970 0.03636 -0.03644 -0.00501 -0.06063 0.01051 -0.02683 -0.01556 -0.00280 0.01105 0.02390 0.09652 -0.03991 0.15584 -0.14026 0.08976 -0.03595 -0.02327 0.00456 -0.01118 0.00888 0.13815 -0.30964 -0.20944 -0.35399 -0.24219 -0.00226 -0.00453 0.00157 0.00028 0.00099 0.00305 -0.00111 0.00008 -0.00547 0.00162 0.00508 0.00034 0.00065 -0.00029 -0.00093 -0.00153 -0.00039 0.00019 0.00138 -0.00071 -0.00480 -0.00673 -0.00087 -0.00006 0.00212 0.00146 -0.00134 -0.00281 -0.00312 -0.00060 0.02242 -0.04275 -0.01818 -0.00310 0.00279 -0.00717 0.00647 0.00237 0.01866 -0.00058 0.03560 -0.07006 -0.02812 -0.00588 0.00322 -0.02293 0.00640 0.00042 0.03213 -0.00284 0.02242 -0.03734 -0.01868 0.00777 0.00947 0.00927 0.04086 0.12873 0.05246 0.09444 -0.01843 -0.04367 -0.00484 -0.01115 0.00664 0.02079 -0.07656 0.70826 0.09033 -0.20010 -0.00625 -0.00642 0.00140 0.00004 0.00140 -0.00041 -0.00064 -0.00019 0.00048 -0.00104 0.00209 0.00294 0.00106 0.00067 -0.00083 -0.00026 0.00099 0.00176 -0.00319 0.00060 -0.00281 0.00098 0.00171 0.00044 0.00032 0.00052 0.00101 0.00236 0.00153 0.00009 -0.04856 -0.00832 0.03302 0.00365 -0.00132 -0.00868 0.01009 0.00096 0.01415 -0.00623 -0.07575 -0.01062 0.05580 0.00579 -0.00447 -0.02206 0.02194 -0.00800 0.03093 -0.01783 -0.03625 -0.00121 0.04599 0.00746 -0.00544 -0.01153 0.04691 0.21632 0.03670 0.14642 -0.00935 -0.03128 0.02397 -0.02027 0.00269 0.00470 0.03185 0.45009 0.31274 0.25630 -0.00520 -0.00769 0.00023 0.00004 0.00322 0.00193 0.00084 -0.00044 0.00043 -0.00007 -0.00266 -0.00117 0.00076 -0.00005 0.00003 -0.00028 -0.00047 -0.00278 0.00056 -0.00292 0.00188 -0.00296 -0.00040 -0.00024 0.00039 -0.00044 0.00008 0.00057 0.00231 0.00090 -0.00749 0.01278 0.00325 0.00086 -0.00678 -0.00359 0.00114 0.00855 0.00355 0.01076 -0.01206 0.02053 0.00520 0.00142 -0.01093 -0.00587 0.00201 0.01369 0.00562 0.01727 -0.00043 -0.06922 -0.00412 0.00259 0.01436 0.00921 0.00068 0.00454 -0.00785 0.01160 0.09018 -0.08047 -0.02267 -0.00425 0.03494 0.01190 -0.00340 0.00602 -0.00596 0.01380 0.00538 -0.04853 -0.00689 0.00393 -0.00026 -0.00199 0.01321 0.00184 0.00408 0.00024 0.03324 -0.05593 -0.01339 -0.00528 0.03263 0.02039 -0.01113 -0.03647 -0.01285 -0.04811 0.00212 -0.09982 -0.00656 0.00356 0.01894 0.01159 0.00165 0.00797 -0.00741 0.01947 0.12950 -0.11895 -0.03158 -0.00700 0.05234 0.01772 -0.00828 0.01129 -0.00459 0.02288 0.00812 -0.07060 -0.01080 0.00526 -0.00050 -0.00215 0.01696 0.00185 0.00298 0.00088 0.02610 -0.05992 -0.02002 0.00767 0.01297 -0.01498 0.03232 -0.17831 -0.09675 -0.20359 -0.00593 -0.08666 -0.00241 0.00364 0.01679 0.00691 0.00139 -0.01370 -0.01210 -0.00800 0.11243 -0.10278 -0.03836 0.00173 0.03513 0.00309 0.01861 0.00524 -0.04477 0.01560 0.00614 -0.05643 -0.00610 0.01083 -0.00719 0.00341 0.04847 -0.01485 -0.01163 -0.01195 -0.02243 0.06974 0.04022 0.06199 0.04020 0.19877 -0.22712 -3.16930 -0.72107 -3.08657 -0.02281 0.00192 0.00370 0.00298 0.00692 -0.01126 -0.01824 0.23682 -0.01619 0.23741 0.00225 0.02907 0.01077 0.02545 0.01675 0.07740 -0.07370 -0.36576 -0.02531 0.18221 -0.00173 0.02622 0.01095 0.02104 -0.01249 0.03925 0.09585 -0.18740 -0.13215 -0.06264 0.00365 0.00330 -0.00094 -0.00047 0.00149 0.00473 -0.00442 -0.00027 -0.00759 0.00184 0.01154 0.00351 -0.00253 -0.00064 0.00130 0.00244 -0.00210 -0.00149 -0.00589 -0.00060 0.00185 -0.00640 -0.00032 -0.00028 0.00296 0.00651 -0.00693 -0.00306 -0.01347 0.00040 0.00696 0.00715 -0.00212 -0.00050 -0.00033 0.00123 -0.00052 0.00054 -0.00075 0.00076 0.00657 -0.00138 -0.00211 -0.00023 -0.00141 -0.00684 0.00420 0.00119 0.01401 -0.00300 -0.03259 0.02548 0.00503 0.00270 -0.01887 -0.02045 0.01704 0.00482 0.03529 -0.00750 -0.05063 0.03935 0.00847 0.00264 -0.02866 -0.03821 0.02528 0.00658 0.07483 -0.03054 -0.02803 0.01533 -0.00172 -0.00007 -0.02448 -0.09850 0.04164 0.24605 0.19588 0.30283 -0.02411 0.01938 0.01181 0.01975 0.01628 -0.12944 0.14876 0.97897 0.67839 1.43938 -0.00236 -0.00294 0.00019 0.00037 -0.00015 0.00118 -0.00004 -0.00165 -0.00288 -0.00275 0.00427 -0.00398 -0.00107 -0.00053 0.00221 0.00292 -0.00338 -0.00144 -0.00456 -0.00132 0.00403 -0.00606 -0.00097 -0.00004 0.00207 0.00137 -0.00133 0.00318 -0.00173 0.00591 0.02953 0.04756 -0.00303 -0.00500 0.00401 0.00659 -0.00926 -0.00197 -0.01265 -0.00004 0.04592 0.07445 -0.00264 -0.00897 0.00639 0.01739 -0.02364 -0.01732 -0.02649 -0.01137 0.02880 0.04339 -0.00794 0.00094 -0.01097 0.00337 0.01274 0.20734 -0.00522 0.25046 -0.01203 0.05020 0.00262 0.03436 0.00163 -0.01130 0.11528 0.95434 -0.20839 1.51602 0.00193 -0.00077 -0.00003 -0.00076 0.00172 0.00002 -0.00224 -0.00173 0.00108 -0.00310 0.00530 -0.00673 -0.00167 0.00048 0.00075 -0.00035 0.00264 0.00205 0.00039 0.00245 0.00266 0.00139 -0.00053 -0.00045 0.00037 -0.00025 -0.00032 -0.00219 0.00079 -0.00323 -0.05094 0.00265 0.01152 0.00247 -0.00379 0.00899 -0.00705 -0.00363 -0.02093 0.00410 -0.07883 0.00251 0.01816 0.00393 -0.00349 0.02418 -0.01639 -0.01704 -0.04817 -0.00225 -0.03737 -0.00080 0.00692 0.00663 -0.01044 0.01941 0.00722 0.19538 -0.04501 0.29173 -0.00372 0.02740 0.02489 0.01744 0.00231 0.06604 -0.04550 -0.05606 -0.08697 0.75415 0.00470 -0.00523 -0.00121 -0.00001 0.00162 0.00034 0.00092 0.00281 0.00032 0.00403 0.00214 -0.00523 -0.00083 -0.00024 0.00296 0.00187 -0.00049 -0.00103 0.00100 -0.00154 -0.00236 -0.00295 -0.00009 0.00038 -0.00017 -0.00044 0.00156 -0.00066 0.00080 -0.00135 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 17 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 18 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 19 H 1S 2S 3S 4S 5PX 5PY 5PZ 20 H 1S 2S 3S 4S 5PX 5PY 5PZ 21 H 1S 2S 3S 4S 5PX 5PY 5PZ 22 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 23 H 1S 2S 3S 4S 5PX 5PY 5PZ 24 H 1S 2S 3S 4S 5PX 5PY 5PZ 25 H 1S 2S 3S 4S 5PX 5PY 5PZ 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|17 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|18 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|19 H 1S|2S|3S|4S|5PX|5PY|5PZ|20 H 1S|2S|3S|4S|5PX|5PY|5PZ|21 H 1S|2S|3S|4S|5PX|5PY|5PZ|22 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|23 H 1S|2S|3S|4S|5PX|5PY|5PZ|24 H 1S|2S|3S|4S|5PX|5PY|5PZ|25 H 1S|2S|3S|4S|5PX|5PY|5PZ 1.10446 0.88466 0.23852 0.23030 0.16488 0.75846 0.53067 0.52446 0.42090 0.46157 0.18080 0.24614 0.36123 -0.11690 0.10521 0.05191 0.02055 0.00412 0.00935 0.00536 0.01727 0.02411 1.10445 0.88470 0.23634 0.23546 0.16114 0.75704 0.53683 0.54793 0.41701 0.46246 0.16087 0.18386 0.37527 -0.00399 -0.01179 -0.01883 -0.01103 0.00370 0.00879 0.00558 0.01754 0.01815 1.10452 0.88475 0.21891 0.23783 0.16909 0.76403 0.50608 0.54352 0.44036 0.40805 0.06814 0.22480 0.33227 0.19571 0.23528 0.13737 0.15102 0.00602 0.01471 0.01093 0.03037 0.03650 1.10436 0.88483 0.23383 0.23451 0.17167 0.75804 0.53328 0.53463 0.44826 0.39160 0.18709 0.17424 0.36326 -0.33727 -0.14782 -0.01262 -0.10555 0.00482 0.01098 0.00922 0.02193 0.02436 1.10442 0.88467 0.22994 0.23946 0.16890 0.75743 0.52428 0.52966 0.43071 0.44988 0.17545 0.22880 0.35671 0.12984 -0.11126 0.13529 0.03223 0.00405 0.00844 0.00704 0.01902 0.01999 1.10440 0.88469 0.23064 0.23987 0.16886 0.75536 0.52106 0.53420 0.43246 0.44691 0.25544 0.15034 0.36495 0.17327 0.09329 0.02697 0.00868 0.00373 0.00409 0.01109 0.02257 0.01698 0.27335 0.48826 0.03515 -0.04763 0.00639 0.01246 0.00556 1.10446 0.88463 0.24211 0.23143 0.16205 0.76190 0.53495 0.52696 0.41612 0.44492 0.18136 0.21541 0.33823 -0.74817 -0.08168 0.05148 0.03489 0.00430 0.01027 0.00572 0.01690 0.02269 0.27170 0.49285 0.03317 -0.02572 0.00725 0.01163 0.00582 0.27221 0.49349 0.02228 -0.04778 0.01435 0.00423 0.00594 1.10437 0.88468 0.23886 0.23132 0.17277 0.75276 0.53004 0.52492 0.44123 0.46769 0.18312 0.23777 0.37001 0.46300 0.06204 0.06519 0.00181 0.00416 0.00830 0.00526 0.01609 0.02167 1.10452 0.88464 0.23312 0.23403 0.16351 0.76473 0.52907 0.51441 0.41828 0.44624 0.24019 0.09022 0.32840 -0.20951 0.05596 0.01464 0.02778 0.00477 0.00560 0.01661 0.03645 0.02432 0.27146 0.49155 0.02335 -0.05682 0.00694 0.01219 0.00532 0.27129 0.49178 0.01919 -0.03794 0.00696 0.01188 0.00585 0.27394 0.49448 0.02490 -0.06325 0.01431 0.00307 0.00517 1.09562 0.89552 0.25800 0.30187 0.20858 0.88812 0.58620 0.65815 0.49113 0.78478 0.28391 0.36994 0.43057 -0.13238 -0.09569 -0.11015 -0.05551 0.00379 0.00501 0.00602 0.01305 0.00749 1.13284 0.85397 0.16615 0.19713 0.08768 0.66555 0.34834 0.41227 0.20511 0.33624 0.06113 0.05486 0.04076 0.01400 -0.01901 0.00973 0.04215 0.01349 0.01850 0.02093 0.03028 0.03380 1.10421 0.88493 0.22531 0.21333 0.21272 0.72529 0.53517 0.50215 0.50766 0.50808 0.36726 0.34994 0.35532 0.15262 -0.02862 0.02878 0.00435 0.00242 0.00800 0.00959 0.00824 0.00290 0.26263 0.47789 0.04448 0.01209 0.01064 0.00542 0.00880 0.26966 0.47800 0.06165 -0.01401 0.00631 0.00880 0.00891 0.26853 0.48416 0.06729 0.01651 0.00631 0.01136 0.00618 1.10421 0.88494 0.21489 0.22452 0.21162 0.72372 0.50828 0.53035 0.50449 0.52030 0.37218 0.37267 0.34929 0.17706 0.00937 -0.01849 0.00236 0.00276 0.01103 0.00592 0.00341 0.00751 0.26299 0.48242 0.04559 0.01197 0.00730 0.00855 0.00890 0.26990 0.47598 0.06663 0.00886 0.00857 0.00618 0.00897 0.26763 0.47937 0.05492 0.00881 0.00884 0.00912 0.00612 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 C C C C C C H C H H C C H H H N B C H H H C H H H -0.228058 -0.071489 -0.720253 0.512341 -0.324946 -0.449866 0.226470 0.639075 0.203301 0.235272 -0.787053 0.072031 0.246007 0.230981 0.247375 0.105995 0.274106 -0.679651 0.178055 0.180680 0.139639 -0.722395 0.172279 0.154913 0.165190 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.389987 -0.383990 -0.341778 -0.331784 -0.310799 -0.004582 0.036761 0.038292 0.044137 0.046460 1.432098 1.235097 1.841737 1.160391 1.235373 1.292905 1.264714 0.148790 1.042199 0.151241 5.037462387085D+02 -1.2739 2.1238 0.2070 2.4852 -65.6141 -62.6472 -81.5060 -2.8885 -2.8836 -0.5562 4.3083 7.2752 -11.5835 -2.8885 -2.8836 -0.5562 437.9393 -146.0344 4.9248 142.4476 -49.9346 13.0109 180.1377 -80.8836 2.0206 -1.6934 -2944.0847 -2153.6849 -190.4436 340.7908 -45.6572 309.3317 0.1860 27.7258 19.8995 -851.9668 -634.3087 -475.6217 13.9041 -19.6863 168.3932 0 -505.9758986 8.944E-9 3.825E-6 3.2031299,5.4089472,-8.6120771,-2.1475267,-2.1439211,-0.4135032 C01 [X(C11H12B1N1)] -0.5012083 0.8355689 0.0814399 0.000005013 -0.000000475 -0.000000786 -0.000005054 0.000006219 0.000001757 0.000001660 0.000001137 0.000001067 0.000000477 -0.000001469 -0.000001019 -0.000001580 -0.000005985 -0.000000310 0.000004513 0.000002764 0.000000861 0.000002700 -0.000000983 -0.000000507 0.000003160 -0.000002472 -0.000002580 0.000000380 -0.000003777 -0.000001343 0.000002920 -0.000001099 0.000000321 -0.000007742 -0.000002490 -0.000000890 -0.000006373 -0.000005148 -0.000001048 -0.000000082 -0.000002769 -0.000002368 -0.000003372 -0.000001950 -0.000002392 -0.000004380 0.000000684 -0.000001204 0.000004995 0.000011354 -0.000004361 0.000005347 -0.000003209 -0.000002382 -0.000009597 0.000004159 0.000012619 -0.000006765 0.000002112 -0.000003072 0.000002783 -0.000003193 -0.000001661 0.000003505 0.000002285 -0.000001070 0.000004927 0.000003272 -0.000001456 0.000002457 0.000001583 0.000003209 0.000001037 -0.000000225 0.000004489 -0.000000930 -0.000000324 0.000004125 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0036,.0569,.1848;-2.6354,.066,.0022;-1.9863,1.3383,-.0895;-2.7415,2.5345,.0399;-4.1386,2.4595,.2661;-4.7574,1.2428,.3349;-4.5281,-.8929,.2317;-2.059,3.7686,-.0745;-4.7048,3.3796,.371;-5.8275,1.1815,.4977;-.7133,3.7707,-.3104;-.0524,2.5284,-.4372;-2.6145,4.6962,.0215;-.1538,4.6931,-.4062;1.0172,2.5096,-.6333;-.6457,1.365,-.3373;-1.8612,-1.307,-.0038;-.5046,-1.5032,.7619;.2939,-1.3849,.0162;-.3085,-.7617,1.5387;-.4041,-2.5134,1.1731;-2.5165,-2.5533,-.7126;-3.0577,-3.1194,.0608;-3.2349,-2.3137,-1.5003;-1.764,-3.2434,-1.1068; Gaussian 16 GINC-IRENE3395 ZOUBRITL Napht_Me ES64L-G16RevC.01 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0036,.0569,.1848;-2.6354,.066,.0022;-1.9863,1.3383,-.0895;-2.7415,2.5345,.0399;-4.1386,2.4595,.2661;-4.7574,1.2428,.3349;-4.5281,-.8929,.2317;-2.059,3.7686,-.0745;-4.7048,3.3796,.371;-5.8275,1.1815,.4977;-.7133,3.7707,-.3104;-.0524,2.5284,-.4372;-2.6145,4.6962,.0215;-.1538,4.6931,-.4062;1.0172,2.5096,-.6333;-.6457,1.365,-.3373;-1.8612,-1.307,-.0038;-.5046,-1.5032,.7619;.2939,-1.3849,.0162;-.3085,-.7617,1.5387;-.4041,-2.5134,1.1731;-2.5165,-2.5533,-.7126;-3.0577,-3.1194,.0608;-3.2349,-2.3137,-1.5003;-1.764,-3.2434,-1.1068; Napht_Me Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 17 17 18 18 18 22 22 22 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 22 19 20 21 23 24 25 1.3804 1.4132 1.086 1.4313 1.5762 1.4205 1.3636 1.4174 1.4149 1.3667 1.0853 1.0842 1.3662 1.0855 1.4129 1.0831 1.0876 1.3098 1.57 1.5764 1.099 1.0917 1.0953 1.1007 1.0927 1.0945 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 2 2 18 17 17 17 19 19 20 17 17 17 23 23 24 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 17 17 17 18 18 18 18 18 18 22 22 22 22 22 22 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 22 22 19 20 21 20 21 21 23 24 25 24 25 25 122.4911 119.3494 118.1527 117.635 118.7897 123.4592 120.1111 118.3498 121.5161 119.605 118.0823 122.3108 120.0929 118.9969 120.9063 120.0173 119.6677 120.3136 119.3655 119.4364 121.1974 118.3564 121.6968 119.9458 119.4394 124.2106 116.3497 118.4615 122.098 119.0917 118.6617 106.4665 114.672 112.1861 106.2146 106.6977 110.0461 107.1655 115.0881 112.002 107.2161 105.4796 109.3087 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 15 2 2 2 22 22 22 2 2 2 18 18 18 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 17 17 17 17 17 17 17 17 17 17 17 17 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 18 18 18 18 18 18 22 22 22 22 22 22 3 17 3 17 5 10 5 10 4 16 4 16 18 22 18 22 5 8 5 8 12 12 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 3 19 20 21 19 20 21 23 24 25 23 24 25 -2.5827 173.6383 178.3891 -5.3899 1.7548 -178.6653 -179.2059 0.374 1.5407 -176.7421 -174.4892 7.228 -136.1234 39.3843 39.8633 -144.629 0.2875 -179.2207 178.5148 -0.9934 179.2131 0.9555 -1.1739 179.5383 178.3127 -0.9752 0.3594 -179.9499 -179.1346 0.5561 0.205 -179.3723 179.479 -0.0982 0.2604 179.902 -179.4246 0.2169 179.4906 -0.3185 -0.1575 -179.9665 -0.2941 179.8915 -98.1471 18.9953 145.4866 86.3266 -156.531 -30.0397 -94.1405 24.9808 150.6397 81.5228 -159.3559 -33.6971 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00044 0.00141 0.00380 0.01191 0.01351 0.01559 0.01584 0.01804 0.01834 0.02175 0.02229 0.02478 0.02584 0.02684 0.02700 0.02967 0.03078 0.03821 0.03894 0.03980 0.05136 0.05213 0.09587 0.10287 0.10651 0.10876 0.10897 0.10927 0.11293 0.11487 0.11962 0.12271 0.12710 0.13348 0.14427 0.15886 0.17882 0.18529 0.19414 0.20185 0.20530 0.20929 0.23035 0.24081 0.25778 0.26176 0.27745 0.28335 0.32761 0.33193 0.33678 0.33870 0.34308 0.34516 0.35165 0.35736 0.35800 0.35949 0.36183 0.36436 0.37906 0.39921 0.40680 0.43743 0.44158 0.49077 0.51598 0.53492 0.57931 Angle between quadratic step and forces= 77.27 degrees. 1 2 0.00032323 0.00000012 0.00000011 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 2.60861 2.67054 2.05218 2.70468 2.97864 2.68432 2.57688 2.67841 2.67369 2.58276 2.05100 2.04884 2.58179 2.05125 2.66991 2.04680 2.05524 2.47521 2.96694 2.97903 2.07673 2.06298 2.06987 2.08003 2.06490 2.06833 2.13787 2.08304 2.06215 2.05312 2.07327 2.15477 2.09633 2.06559 2.12086 2.08750 2.06092 2.13473 2.09602 2.07689 2.11021 2.09470 2.08860 2.09987 2.08332 2.08456 2.11529 2.06571 2.12401 2.09345 2.08461 2.16788 2.03069 2.06754 2.13101 2.07854 2.07104 1.85819 2.00140 1.95802 1.85379 1.86223 1.92067 1.87039 2.00867 1.95480 1.87127 1.84097 1.90780 -0.04508 3.03056 3.11348 -0.09407 0.03063 -3.11830 -3.12773 0.00653 0.02689 -3.08473 -3.04541 0.12615 -2.37580 0.68739 0.69575 -2.52425 0.00502 -3.12799 3.11567 -0.01734 3.12786 0.01668 -0.02049 3.13353 3.11214 -0.01702 0.00627 -3.14072 -3.12649 0.00971 0.00358 -3.13064 3.13250 -0.00171 0.00455 3.13988 -3.13155 0.00379 3.13270 -0.00556 -0.00275 -3.14101 -0.00513 3.13970 -1.71299 0.33153 2.53922 1.50668 -2.73198 -0.52429 -1.64306 0.43600 2.62916 1.42284 -2.78129 -0.58812 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00000 -0.00002 -0.00002 -0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00006 -0.00004 0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00003 -0.00007 0.00005 -0.00002 0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00003 -0.00002 0.00005 -0.00026 0.00006 0.00014 -0.00003 0.00004 0.00002 -0.00009 0.00000 0.00006 -0.00000 -0.00001 0.00004 -0.00005 -0.00006 -0.00006 -0.00006 0.00004 0.00003 0.00005 0.00004 0.00001 0.00005 0.00002 0.00006 0.00027 0.00027 0.00026 0.00026 0.00003 0.00004 -0.00001 0.00001 -0.00005 -0.00002 -0.00004 -0.00002 -0.00005 -0.00003 0.00001 -0.00000 0.00002 0.00001 0.00000 0.00002 -0.00002 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00081 0.00063 0.00083 0.00081 0.00063 0.00083 0.00008 0.00001 0.00012 0.00007 0.00000 0.00011 -0.00002 -0.00001 -0.00000 -0.00002 -0.00002 -0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00006 -0.00004 0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00003 -0.00007 0.00005 -0.00002 0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00003 -0.00002 0.00005 -0.00026 0.00006 0.00014 -0.00003 0.00004 0.00002 -0.00009 0.00000 0.00006 -0.00000 -0.00001 0.00004 -0.00005 -0.00006 -0.00006 -0.00006 0.00004 0.00003 0.00005 0.00004 0.00001 0.00005 0.00002 0.00006 0.00027 0.00027 0.00026 0.00026 0.00003 0.00004 -0.00001 0.00001 -0.00005 -0.00002 -0.00004 -0.00002 -0.00005 -0.00003 0.00001 -0.00000 0.00002 0.00001 0.00000 0.00002 -0.00002 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00081 0.00063 0.00083 0.00081 0.00063 0.00083 0.00008 0.00001 0.00012 0.00007 0.00000 0.00011 2.60859 2.67052 2.05218 2.70466 2.97862 2.68430 2.57688 2.67840 2.67368 2.58274 2.05100 2.04883 2.58177 2.05125 2.66990 2.04679 2.05523 2.47519 2.96688 2.97899 2.07674 2.06297 2.06985 2.08003 2.06489 2.06832 2.13786 2.08303 2.06217 2.05314 2.07320 2.15482 2.09631 2.06561 2.12086 2.08751 2.06092 2.13472 2.09602 2.07689 2.11021 2.09469 2.08860 2.09987 2.08332 2.08456 2.11530 2.06571 2.12401 2.09345 2.08461 2.16788 2.03069 2.06753 2.13098 2.07853 2.07109 1.85794 2.00146 1.95816 1.85376 1.86227 1.92069 1.87030 2.00867 1.95486 1.87127 1.84096 1.90784 -0.04513 3.03050 3.11342 -0.09413 0.03067 -3.11827 -3.12768 0.00656 0.02690 -3.08468 -3.04539 0.12621 -2.37554 0.68765 0.69600 -2.52399 0.00505 -3.12795 3.11566 -0.01733 3.12780 0.01666 -0.02053 3.13351 3.11209 -0.01705 0.00628 -3.14072 -3.12647 0.00971 0.00358 -3.13062 3.13248 -0.00172 0.00454 3.13987 -3.13155 0.00378 3.13270 -0.00556 -0.00275 -3.14100 -0.00512 3.13971 -1.71218 0.33216 2.54005 1.50749 -2.73135 -0.52346 -1.64299 0.43600 2.62927 1.42291 -2.78128 -0.58801 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000014 0.000004 0.001614 0.000323 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.044339e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 1 1 1 2 2 3 3 4 4 5 5 6 8 8 11 11 12 12 17 17 18 18 18 22 22 22 2 6 7 3 17 4 16 5 8 6 9 10 11 13 12 14 15 16 18 22 19 20 21 23 24 25 1.3804 1.4132 1.086 1.4313 1.5762 1.4205 1.3636 1.4174 1.4149 1.3667 1.0853 1.0842 1.3662 1.0855 1.4129 1.0831 1.0876 1.3098 1.57 1.5764 1.099 1.0917 1.0953 1.1007 1.0927 1.0945 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 4 11 8 8 12 11 11 15 3 2 2 18 17 17 17 19 19 20 17 17 17 23 23 24 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 11 11 11 12 12 12 16 17 17 17 18 18 18 18 18 18 22 22 22 22 22 22 6 7 7 3 17 17 4 16 16 5 8 8 6 9 9 5 10 10 11 13 13 12 14 14 15 16 16 12 18 22 22 19 20 21 20 21 21 23 24 25 24 25 25 122.4911 119.3494 118.1527 117.635 118.7897 123.4592 120.1111 118.3498 121.5161 119.605 118.0823 122.3108 120.0929 118.9969 120.9063 120.0173 119.6677 120.3136 119.3655 119.4364 121.1974 118.3564 121.6968 119.9458 119.4394 124.2106 116.3497 118.4615 122.098 119.0917 118.6617 106.4665 114.672 112.1861 106.2146 106.6977 110.0461 107.1655 115.0881 112.002 107.2161 105.4796 109.3087 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 6 6 7 7 2 2 7 7 1 1 17 17 1 1 3 3 2 2 16 16 2 4 3 3 8 8 3 3 5 5 4 4 9 9 4 4 13 13 8 8 14 14 11 15 2 2 2 22 22 22 2 2 2 18 18 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 8 8 8 8 11 11 11 11 12 12 17 17 17 17 17 17 17 17 17 17 17 2 2 2 2 6 6 6 6 3 3 3 3 17 17 17 17 4 4 4 4 16 16 5 5 5 5 8 8 8 8 6 6 6 6 11 11 11 11 12 12 12 12 16 16 18 18 18 18 18 18 22 22 22 22 22 3 17 3 17 5 10 5 10 4 16 4 16 18 22 18 22 5 8 5 8 12 12 6 9 6 9 11 13 11 13 1 10 1 10 12 14 12 14 15 16 15 16 3 3 19 20 21 19 20 21 23 24 25 23 24 -2.5827 173.6383 178.3891 -5.3899 1.7548 -178.6653 -179.2059 0.374 1.5407 -176.7421 -174.4892 7.228 -136.1234 39.3843 39.8633 -144.629 0.2875 -179.2207 178.5148 -0.9934 179.2131 0.9555 -1.1739 179.5383 178.3127 -0.9752 0.3594 -179.9499 -179.1346 0.5561 0.205 -179.3723 179.479 -0.0982 0.2604 179.902 -179.4246 0.2169 179.4906 -0.3185 -0.1575 -179.9665 -0.2941 179.8915 -98.1471 18.9953 145.4866 86.3266 -156.531 -30.0397 -94.1405 24.9808 150.6397 81.5228 -159.3559 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0.000000 1.380415 0.000000 2.405590 1.431254 0.000000 2.784368 2.471061 1.420480 0.000000 2.407805 2.838719 2.452729 1.417352 0.000000 1.413186 2.449172 2.804981 2.412350 1.366735 0.000000 1.085968 2.134100 3.397345 3.869873 3.375161 2.150491 0.000000 4.198293 3.747977 2.431407 1.414856 2.480820 3.718650 5.283906 0.000000 3.400949 3.924026 3.430519 2.162937 1.085345 2.137703 4.278406 2.711033 0.000000 2.165487 3.417563 3.888980 3.400584 2.130560 1.084197 2.462271 4.606735 2.471443 0.000000 4.986359 4.185297 2.754219 2.400873 3.712713 4.812584 6.049401 1.366222 4.068020 5.788945 0.000000 4.701926 3.595645 2.297287 2.731103 4.146930 4.938241 5.673176 2.386692 4.798168 6.003403 1.412853 0.000000 4.845639 4.630333 3.417965 2.165555 2.717691 4.076336 5.911414 1.085477 2.495014 4.785789 2.140369 3.387369 0.000000 6.055201 5.266436 3.835776 3.399227 4.617364 5.800608 7.123555 2.143535 4.800095 6.733486 1.083121 2.167277 2.497597 0.000000 5.647501 4.440338 3.269409 3.818586 5.233967 5.990688 6.563191 3.370574 5.874236 7.063552 2.165521 1.087585 4.289470 2.488095 0.000000 3.641370 2.400312 1.363625 2.429470 3.709825 4.168073 4.527098 2.800718 4.586533 5.251898 2.406812 1.309827 3.886160 3.364999 2.040357 0.000000 2.546723 1.576227 2.649645 3.941280 4.409776 3.873516 2.709076 5.079923 5.494545 4.709157 5.214802 4.262623 6.050351 6.251252 4.821580 2.954306 0.000000 3.874250 2.753091 3.315757 4.671968 5.399505 5.080221 4.103828 5.559421 6.452513 5.967485 5.385776 4.230343 6.590308 6.315147 4.512715 3.074759 1.570038 0.000000 4.536080 3.268949 3.553384 4.957372 5.872763 5.702800 4.851777 5.665947 6.914660 6.655110 5.263173 3.954665 6.740833 6.109072 4.013960 2.927362 2.156589 1.098957 0.000000 4.019619 2.908697 3.142656 4.362422 5.163908 5.025935 4.419306 5.117678 6.151504 5.943069 4.911771 3.846370 6.116262 5.793225 4.144458 2.855837 2.255592 1.091681 1.751992 0.000000 4.532048 3.605930 4.351211 5.676996 6.284825 5.810551 4.529777 6.615024 7.339329 6.597137 6.464178 5.304365 7.628267 7.381742 5.523888 4.169062 2.227900 1.095328 1.760444 1.791998 0.000000 3.135310 2.717707 3.976719 5.148085 5.358901 4.530956 2.774003 6.370487 6.415747 5.135856 6.588337 5.654376 7.287301 7.628043 6.174655 4.358183 1.576437 2.706371 3.129627 3.626799 2.831857 0.000000 3.316483 3.213845 4.587167 5.662807 5.686406 4.689682 2.673644 6.961375 6.711620 5.134294 7.287505 6.417057 7.828338 8.347868 6.983763 5.107479 2.172769 3.101984 3.774146 3.911745 2.940453 1.100704 0.000000 3.008342 2.877455 4.109318 5.110821 5.169168 4.281886 2.586632 6.356853 6.170503 4.788540 6.692809 5.891083 7.199992 7.732108 6.488145 4.646404 2.267140 3.637115 3.951535 4.495348 3.898715 1.092698 1.765645 0.000000 4.192443 3.597451 4.698612 5.971171 6.328318 5.582612 3.867406 7.093744 7.395686 6.218311 7.136936 6.057419 8.064421 8.128477 6.407516 4.804171 2.230681 2.847191 2.991665 3.908510 2.753201 1.094512 1.747164 1.784058 0.000000 1.2540993 0.7090254 0.4758505 1 -505.975898595 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=1111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 78 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 75 vectors produced by pass 0 Test12= 1.86D-14 1.28D-09 XBig12= 1.04D+02 5.32D+00. AX will form 75 AO Fock derivatives at one time. 75 vectors produced by pass 1 Test12= 1.86D-14 1.28D-09 XBig12= 1.14D+01 5.62D-01. 75 vectors produced by pass 2 Test12= 1.86D-14 1.28D-09 XBig12= 2.92D-01 1.02D-01. 75 vectors produced by pass 3 Test12= 1.86D-14 1.28D-09 XBig12= 3.02D-03 6.72D-03. 75 vectors produced by pass 4 Test12= 1.86D-14 1.28D-09 XBig12= 2.41D-05 5.60D-04. 75 vectors produced by pass 5 Test12= 1.86D-14 1.28D-09 XBig12= 1.86D-07 4.12D-05. 73 vectors produced by pass 6 Test12= 1.86D-14 1.28D-09 XBig12= 1.40D-09 3.35D-06. 33 vectors produced by pass 7 Test12= 1.86D-14 1.28D-09 XBig12= 9.46D-12 2.10D-07. 3 vectors produced by pass 8 Test12= 1.86D-14 1.28D-09 XBig12= 6.13D-14 1.96D-08. 1 vectors produced by pass 9 Test12= 1.86D-14 1.28D-09 XBig12= 3.72D-16 1.94D-09. InvSVY: IOpt=1 It= 1 EMax= 5.14D-15 Solved reduced A of dimension 560 with 78 vectors. Isotropic polarizability for W= 0.000000 171.69 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.389987 -0.383990 -0.341778 -0.331784 -0.310799 -0.004582 0.036761 0.038292 0.044137 0.046460 1.432098 1.235097 1.841737 1.160391 1.235373 1.292905 1.264715 0.148790 1.042199 0.151241 5.037462389540D+02 PT69941.300S 2021-03-25T14:39:16.000 -10.30041 -10.29969 -10.29762 -10.29590 -10.27587 -10.24738 -10.24001 -6.84342 -1.05568 -0.95914 -0.91628 -0.85849 -0.84922 -0.80166 -0.76714 -0.74486 -0.73052 -0.70076 -0.62458 -0.61196 -0.60472 -0.55096 -0.54179 -0.52124 -0.51434 -0.50529 -0.50289 -0.49455 -0.48473 -0.46432 -0.46174 -0.45705 -0.43786 -0.43669 -0.39983 -0.38999 -0.38399 -0.34178 -0.33178 -0.31080 -0.00458 0.03676 0.03829 0.04414 0.04646 0.04911 0.06251 0.06375 0.06738 0.07883 0.08275 0.08678 0.09217 0.09512 0.09768 0.10648 0.11466 0.11800 0.12442 0.12848 0.13653 0.14254 0.14764 0.15036 0.15917 0.16090 0.16395 0.16793 0.17050 0.17600 0.17774 0.18422 0.18627 0.18835 0.19480 0.19514 0.20111 0.20452 0.20637 0.21257 0.21419 0.21853 0.22232 0.22611 0.23075 0.23161 0.23830 0.24313 0.24848 0.25247 0.25455 0.25934 0.26510 0.27451 0.28119 0.28525 0.28777 0.28970 0.29322 0.29559 0.30450 0.30768 0.31412 0.31885 0.32907 0.33138 0.34166 0.34290 0.35004 0.35376 0.35910 0.36134 0.36746 0.37313 0.37593 0.38123 0.38670 0.39324 0.40078 0.40270 0.40777 0.41328 0.42587 0.43404 0.44061 0.44544 0.45917 0.46143 0.48373 0.50158 0.53027 0.55358 0.56510 0.57027 0.58027 0.58647 0.59742 0.60457 0.61240 0.62712 0.63868 0.64372 0.65090 0.65488 0.65739 0.66349 0.67238 0.67985 0.68298 0.69061 0.69780 0.71068 0.71283 0.71624 0.73758 0.73958 0.75246 0.76676 0.77037 0.78599 0.79006 0.80083 0.80173 0.80832 0.82723 0.83043 0.83805 0.84507 0.85898 0.86528 0.86991 0.87768 0.89250 0.90792 0.91679 0.93220 0.93818 0.94720 0.96554 0.96861 0.98243 0.99603 1.00063 1.00894 1.01817 1.02520 1.04070 1.05248 1.06170 1.06867 1.08617 1.10931 1.11745 1.13578 1.14330 1.15764 1.16144 1.17835 1.18251 1.19356 1.20906 1.22489 1.23092 1.26384 1.28850 1.30410 1.32749 1.37793 1.39066 1.39624 1.42367 1.44061 1.47020 1.53284 1.53990 1.55233 1.57186 1.59104 1.59688 1.60962 1.61976 1.62926 1.63488 1.64845 1.66330 1.66969 1.67605 1.70223 1.71301 1.72195 1.74626 1.76289 1.77500 1.78734 1.79304 1.80382 1.81074 1.82127 1.82207 1.83244 1.85812 1.87493 1.87821 1.88264 1.91140 1.94149 1.96048 1.97675 1.98077 1.99685 2.00377 2.00831 2.01891 2.04130 2.04747 2.06376 2.07208 2.08410 2.11849 2.12702 2.16108 2.17208 2.18806 2.21801 2.23017 2.24039 2.25313 2.28808 2.31440 2.32448 2.35051 2.36012 2.38951 2.42737 2.44639 2.47378 2.50200 2.52630 2.54204 2.54804 2.57063 2.57481 2.58481 2.60428 2.60865 2.64178 2.66897 2.67554 2.67842 2.69373 2.71434 2.72174 2.75901 2.76785 2.77302 2.79986 2.80808 2.81410 2.81659 2.82756 2.83162 2.84106 2.84790 2.85500 2.85617 2.87385 2.89465 2.91104 2.93186 2.93541 2.96853 2.98162 3.02011 3.03515 3.06412 3.08914 3.12591 3.13516 3.14821 3.16406 3.20797 3.31462 3.35539 3.43842 3.45689 3.49300 3.51626 3.59561 3.61987 3.63398 3.68434 3.72220 3.77026 3.77788 3.85481 3.87791 3.94511 3.97670 4.04154 4.05555 4.08616 4.12919 4.14540 4.16757 4.27195 4.29264 4.58549 4.64756 4.93732 5.36200 14.80720 23.72516 23.96888 24.05969 24.08705 24.13295 24.14217 24.15346 24.18003 24.24705 24.29832 24.32278 35.84091 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.38999 -0.38399 -0.34178 -0.33178 -0.31080 -0.00458 0.03676 0.03829 0.04414 0.04646 -0.00700 -0.00399 -0.00057 -0.00067 0.00184 0.00312 -0.00392 0.00468 -0.00673 0.00699 -0.01124 -0.00629 -0.00093 -0.00110 0.00294 0.00500 -0.00637 0.00772 -0.01097 0.01134 0.05384 0.01909 -0.00611 -0.01292 0.00671 -0.01935 -0.00498 0.01157 0.02444 0.00401 -0.04200 0.00032 0.01845 0.00467 -0.00274 0.00527 -0.00090 0.00910 -0.00460 0.02029 -0.00546 -0.04406 0.00787 -0.10186 0.07880 -0.08287 -0.08507 0.01368 0.07120 -0.01745 0.03027 0.01740 0.00250 0.00400 -0.00886 -0.01478 0.02047 -0.02920 0.03687 -0.03427 0.07742 0.02413 -0.00662 -0.02097 0.01232 -0.02795 -0.00822 0.01462 0.03525 0.00002 -0.06112 -0.00002 0.02512 0.00740 -0.00408 0.00816 -0.00077 0.01416 -0.01063 0.02407 -0.00732 -0.06926 0.01172 -0.16332 0.12463 -0.13090 -0.13102 0.02327 0.10974 -0.02470 0.04614 0.03944 0.00471 -0.00427 -0.01601 -0.03227 0.03779 -0.01744 0.05885 -0.16023 0.04657 0.03299 -0.01343 -0.02219 0.00545 -0.04717 -0.04613 0.02478 0.03416 0.04396 -0.03257 0.00112 0.06029 0.00724 -0.00732 -0.00055 0.02277 0.03591 0.02186 0.06261 -0.00362 -0.06161 0.01380 -0.14727 0.12439 -0.19799 -0.23263 0.02758 0.18977 -0.05965 0.00661 0.22098 -0.05979 0.06525 -0.04201 0.10281 -2.55481 -14.39424 0.00152 -2.79711 -0.02633 0.00969 -0.14317 -0.11259 0.09547 -0.14922 -1.42310 -2.89698 -0.01454 0.43388 0.05153 0.04226 0.15726 0.08185 -0.12132 0.00263 0.34396 -0.14486 0.43782 1.04263 0.00289 0.00108 0.02259 0.00135 -0.00280 -0.20874 -0.12307 0.36623 0.14055 -0.01872 -0.00021 0.00081 -0.00029 -0.00227 -0.00511 -0.00635 0.00351 0.00129 0.00251 0.00078 -0.00003 -0.00247 0.00037 0.00552 0.01929 0.02075 -0.00773 0.00126 -0.00181 0.00101 -0.00216 -0.00241 0.00122 -0.00925 -0.00734 -0.00663 0.01499 -0.00140 0.00016 -0.00011 0.00293 0.00188 0.00075 0.00092 0.00225 0.00281 -0.00111 -0.00390 -0.00014 -0.00378 0.02164 -0.00167 -0.01007 -0.00282 0.00025 -0.00229 0.00335 0.00424 0.00349 0.00282 0.02259 -0.00030 0.00447 -0.00073 0.00188 0.00078 -0.00071 0.00235 0.00004 0.00221 0.03639 -0.00043 0.00694 -0.00120 0.00304 0.00127 -0.00110 0.00396 0.00019 0.00380 -0.08291 -0.02571 -0.00082 -0.00078 0.01657 0.01522 -0.00146 -0.00109 -0.01130 -0.00031 0.12134 -0.01106 -0.06234 -0.00625 0.01141 0.00143 -0.00307 0.00478 0.00351 0.00088 0.01453 -0.02752 0.00529 -0.00391 0.12602 0.09686 -0.00520 -0.00325 -0.02976 0.00562 -0.09605 0.00047 -0.02035 0.00337 -0.00807 -0.00402 0.00071 -0.01698 -0.00399 -0.02028 -0.12145 -0.03838 -0.00196 -0.00128 0.02639 0.02258 -0.00337 -0.00288 -0.01987 -0.00464 0.18031 -0.01673 -0.08716 -0.00890 0.01740 0.00211 -0.00378 0.00854 0.00293 -0.00110 0.02244 -0.04355 0.00942 -0.00608 0.20163 0.14953 -0.00837 -0.00665 -0.04835 0.00758 -0.18093 0.01665 -0.10641 0.00696 -0.02054 -0.00073 0.05632 0.01215 0.07209 0.09474 -0.09931 0.00558 -0.03422 -0.00601 0.01342 0.03282 0.00205 0.02668 0.01649 0.04998 0.10895 0.01026 -0.13918 -0.01296 0.01423 0.00675 -0.04504 -0.07060 0.05940 -0.00758 0.02055 -0.03980 0.01107 -0.00670 0.20311 0.25387 -0.01068 -0.00489 -0.07976 0.01667 0.19109 0.03602 -0.07246 0.20803 -0.16710 -0.01070 0.92683 -4.89188 2.66028 7.00473 -0.04072 0.07121 -0.23461 -0.06073 0.09106 0.20368 -1.66992 -4.37112 -0.34008 2.04045 0.03321 0.01816 -0.17615 -0.02536 0.08286 0.11251 -1.13293 -6.04150 0.27189 -1.14246 0.00683 -0.01213 0.03555 0.02588 0.03860 0.39239 0.29326 0.57616 0.17996 -0.44483 -0.00256 -0.00043 -0.00003 -0.00402 0.00243 -0.00185 -0.00551 0.00339 0.00261 -0.00073 -0.00024 0.00427 -0.00051 0.01654 -0.00904 0.01184 0.01835 -0.00384 -0.01867 0.00361 0.00027 -0.00886 0.00059 0.01109 0.00403 -0.00344 0.02445 0.00177 0.01584 -0.00122 0.00322 0.01137 -0.00559 0.00294 -0.00583 -0.00615 0.00976 0.00263 0.01139 -0.00199 0.01099 -0.00701 -0.00972 0.00069 0.00447 0.00313 -0.00020 -0.00402 -0.00498 -0.00274 -0.00148 0.00434 0.01360 0.00063 -0.00272 -0.00238 0.00240 0.00611 0.00388 -0.00134 -0.00230 0.00691 0.02210 0.00101 -0.00440 -0.00387 0.00392 0.01011 0.00628 -0.00210 -0.03038 0.00397 -0.06449 0.01995 0.00248 -0.00358 0.02952 0.00459 0.01126 0.00256 -0.05218 0.02208 0.05902 0.00333 -0.01149 -0.00769 0.00580 -0.00211 0.01501 0.00364 0.01198 -0.04933 0.00974 0.11645 0.03026 -0.00325 0.14681 -0.00139 0.03475 0.00040 0.00604 -0.01978 -0.06700 -0.00307 0.01370 0.01276 -0.01327 -0.03654 -0.01861 0.00472 -0.04796 0.00328 -0.10266 0.03283 0.00539 -0.00414 0.04584 0.01058 0.01327 0.00371 -0.07427 0.03023 0.08989 0.00487 -0.01652 -0.01050 0.00913 -0.00567 0.02313 0.00751 0.01893 -0.07894 0.01578 0.19139 0.05064 -0.00426 0.23330 -0.00456 0.05458 -0.00145 0.00879 -0.03816 -0.12070 -0.00427 0.01804 0.01337 -0.02228 -0.00789 -0.12101 0.04452 -0.05604 0.01005 -0.06171 0.03089 0.00148 -0.00763 0.06814 -0.07803 0.06051 -0.00133 -0.09105 0.05494 -0.08764 -0.00534 -0.01812 -0.01293 -0.00855 0.00909 0.05777 0.05414 0.02023 -0.07018 0.00635 0.16717 0.04021 -0.02265 0.38075 0.01622 0.07854 0.01310 0.10296 -0.07617 0.06882 -0.02984 -0.15929 -0.31760 3.87576 29.98181 -4.13928 -0.54141 -0.01232 0.04967 0.09288 0.03166 -0.08468 -0.20698 -0.47344 -5.68880 0.60664 0.33598 0.08207 0.03590 -0.13033 -0.00378 -0.02437 -0.14736 -0.64909 -2.17737 0.93744 5.07731 0.00868 -0.01376 -0.02092 -0.02419 -0.03400 -0.18924 0.40068 0.65656 -0.40251 -0.15686 0.00097 0.00248 0.00217 0.00102 0.00514 0.00780 -0.00203 0.00256 0.00574 -0.00075 -0.00064 -0.00958 0.00177 -0.00414 -0.01607 -0.02211 0.00414 -0.00311 -0.02218 0.00378 -0.00056 0.00611 0.00571 0.01122 -0.01423 -0.01309 -0.01092 0.00329 0.01873 -0.00388 0.01242 0.00103 -0.00657 -0.00085 -0.00137 -0.00233 -0.00080 -0.00092 -0.00566 0.00305 0.00072 0.00108 -0.03735 0.00039 -0.00089 -0.00202 -0.00175 0.00201 0.00503 0.00053 0.00123 -0.00161 -0.01025 -0.00046 0.00134 0.00120 -0.00050 0.00310 -0.00183 0.00074 0.00197 -0.00261 -0.01638 -0.00072 0.00216 0.00195 -0.00076 0.00532 -0.00308 0.00110 -0.01030 0.00147 0.04517 0.02070 -0.00454 0.00007 -0.01479 0.00263 0.01700 -0.00096 0.02457 -0.00910 -0.07398 -0.00312 0.00581 0.00313 -0.00164 0.00092 -0.00243 0.00304 0.00008 0.04144 -0.01358 0.11689 -0.01196 0.00560 -0.09170 0.01853 0.09392 -0.02040 -0.00626 0.00774 0.04543 0.00164 -0.00635 -0.00609 0.00084 -0.02757 0.01281 0.00056 -0.00989 0.00413 0.06659 0.03354 -0.00700 0.00020 -0.02349 0.00142 0.02773 0.00110 0.03751 -0.01390 -0.10209 -0.00425 0.00852 0.00481 -0.00185 0.00343 -0.00527 0.00485 -0.00092 0.06709 -0.02122 0.19088 -0.01976 0.00832 -0.14414 0.02959 0.14586 -0.03267 0.00822 -0.00140 0.14807 0.01062 -0.00967 -0.00661 0.01722 0.06846 -0.01182 -0.04123 -0.01712 -0.01201 0.11992 0.03411 -0.00391 -0.00199 -0.02856 -0.01972 0.05665 -0.05144 0.02238 -0.00799 -0.15988 -0.00907 0.00668 0.00075 -0.00766 0.08003 -0.01939 0.01251 -0.00001 0.05984 -0.02806 0.17595 -0.01514 0.02284 -0.24415 0.05390 0.26698 -0.05033 0.00037 0.07150 0.03222 -0.07056 -0.04426 -0.03430 0.07241 9.30782 -3.18526 -4.90233 0.03884 -0.00818 -0.06450 0.06803 0.04695 0.21593 -0.45584 -8.17516 2.47672 4.81526 0.22870 0.00502 -0.23191 -0.00507 -0.00117 0.06554 0.86061 11.32730 -1.94800 2.47929 -0.00931 -0.01362 0.01243 0.01971 0.03365 0.06916 -0.13016 1.73442 0.38615 -0.79024 -0.00033 -0.00042 0.00068 -0.00213 -0.00592 0.00640 -0.00292 0.00202 -0.00098 -0.00019 0.00032 0.00143 0.00179 0.00709 0.01974 -0.02247 0.01057 -0.00021 0.00325 -0.00003 -0.00293 0.01333 0.00101 -0.00919 0.00508 -0.01467 -0.02601 -0.00252 -0.01694 0.00201 -0.00683 0.00290 -0.00576 0.00149 0.00246 -0.00523 0.00336 0.00344 0.00147 -0.00221 0.00657 0.00015 -0.00488 -0.00185 0.00141 -0.00163 -0.00454 0.00532 -0.00550 -0.00053 0.00265 0.00005 0.00672 0.00027 0.00001 0.00032 0.00012 0.00592 -0.00212 0.00172 0.00420 0.00008 0.01083 0.00044 0.00002 0.00052 0.00023 0.00964 -0.00343 0.00285 -0.00376 0.00962 -0.03183 -0.00104 -0.02013 0.01676 0.00041 0.01209 -0.00934 -0.00067 -0.01619 0.00297 0.01622 0.00074 0.00134 -0.00184 -0.00074 -0.01595 0.00537 -0.00028 0.00362 0.00889 -0.00031 -0.00471 -0.12463 0.11100 -0.01140 -0.00717 -0.03976 0.00775 -0.01210 -0.00005 -0.03282 -0.00121 -0.00014 -0.00178 -0.00140 -0.03111 0.00917 -0.01425 -0.00506 0.01384 -0.04680 -0.00190 -0.03216 0.02630 -0.00008 0.01662 -0.01426 -0.00376 -0.02224 0.00383 0.02258 0.00105 0.00237 -0.00285 0.00013 -0.01890 0.00550 -0.00390 0.00559 0.01491 -0.00119 -0.00750 -0.19960 0.17384 -0.01727 -0.01039 -0.06127 0.01176 -0.02297 -0.00431 -0.00727 -0.00335 -0.00111 -0.01164 0.00051 -0.10890 0.05909 0.01281 -0.00556 0.00514 -0.02069 -0.00052 -0.02889 0.03877 0.00255 -0.03313 -0.01115 -0.02465 -0.02856 -0.00216 0.05552 0.00368 0.00361 0.00214 -0.00652 -0.10255 0.02644 0.01577 0.00495 0.01162 -0.00439 -0.00861 -0.19238 0.25862 -0.03939 -0.01251 -0.12650 0.02895 0.08223 -0.00836 -0.20135 0.07280 0.08622 0.07021 -2.00631 -23.12084 5.39460 7.08760 0.06271 0.00725 0.06885 0.07269 -0.02371 0.10278 0.21374 -3.64906 0.60513 -1.13786 -0.00978 -0.00090 0.10333 0.01672 -0.00151 0.07227 0.19502 -0.66795 0.34327 -1.60419 -0.00932 0.01403 -0.01229 -0.01093 -0.03691 0.16252 -0.11424 0.45023 -0.49526 0.21842 -0.00058 -0.00127 -0.00046 -0.00458 -0.00033 -0.00110 0.00540 0.00140 -0.00545 -0.00013 -0.00135 0.00471 -0.00045 0.01784 0.00259 0.00502 -0.02031 0.00512 0.01646 -0.00364 -0.00200 0.00347 0.00202 0.01214 0.00894 0.00624 -0.01702 0.00151 -0.00054 -0.00017 0.00562 0.00296 -0.00312 0.00300 0.00043 0.00041 -0.00335 -0.00434 0.00482 -0.00323 0.00702 0.00039 -0.01212 0.00143 0.00197 0.00099 -0.00262 -0.00339 0.00131 -0.00182 0.00804 0.00147 -0.00070 -0.00028 0.00002 -0.00097 0.00147 0.00672 0.00196 0.00511 0.01285 0.00237 -0.00115 -0.00044 0.00001 -0.00157 0.00241 0.01077 0.00321 0.00817 -0.03866 -0.01505 0.00865 -0.01563 -0.01172 -0.00860 0.01329 0.01585 -0.01069 0.02095 0.05003 0.00240 -0.02164 0.00153 0.00346 -0.00099 0.00008 0.00368 0.00770 -0.00108 0.01311 -0.01893 -0.00257 -0.10406 -0.07844 -0.06586 0.09434 -0.01315 -0.03076 0.00536 -0.03849 -0.00699 0.00396 0.00122 -0.00000 0.00438 -0.00741 -0.02915 -0.00904 -0.02114 -0.05559 -0.02223 0.01196 -0.02513 -0.01853 -0.01388 0.01980 0.01647 -0.01610 0.02003 0.06974 0.00460 -0.02796 0.00260 0.00450 -0.00200 0.00045 0.00373 0.01172 -0.00262 0.01962 -0.03048 -0.00358 -0.16704 -0.12488 -0.10496 0.14389 -0.01965 -0.05160 0.01036 -0.04991 -0.00547 -0.00099 0.00466 0.00018 0.02069 -0.03804 -0.23431 -0.03182 -0.15948 -0.04856 -0.02402 0.00669 -0.02153 -0.01663 -0.01118 0.03839 0.07460 -0.03656 0.12759 0.05401 -0.00221 -0.00325 0.00442 0.00712 0.00289 0.00910 -0.00135 0.02562 -0.02861 0.01701 -0.02430 -0.00233 -0.15142 -0.12219 -0.15180 0.26506 -0.03530 -0.06230 0.00390 -0.06382 -0.10076 -0.12050 -0.16841 0.20518 0.11005 0.37965 8.39151 -1.62410 -2.49279 -0.03051 -0.02466 -0.04093 -0.03173 0.03052 0.03749 0.32316 4.90472 -0.60094 3.22234 0.03561 0.02061 0.12628 0.09584 -0.07542 0.08590 0.77777 0.71079 -0.09428 -1.41817 0.00619 -0.00683 0.01176 -0.01654 -0.02387 -0.11064 0.31600 -0.69279 0.07331 -0.55036 -0.00099 0.00096 -0.00013 0.00219 -0.00028 0.00048 0.00213 0.00255 -0.00348 0.00191 -0.00047 -0.00287 0.00040 -0.00624 -0.00226 0.00349 -0.00669 0.00125 0.00596 -0.00157 -0.00045 0.00439 -0.00045 0.00881 -0.02062 0.02522 0.00926 -0.00332 -0.01504 0.00319 0.00561 0.00367 -0.00319 -0.00040 -0.00147 0.00063 0.00022 0.00703 0.00075 0.00415 0.00201 0.00068 -0.00397 0.00123 -0.00307 0.00392 0.00135 0.00122 -0.00467 -0.00093 0.02867 -0.00676 -0.01696 -0.00236 0.00199 -0.00161 0.00173 0.00151 0.00411 -0.00249 0.04585 -0.01188 -0.02237 -0.00282 0.00324 -0.00459 0.00883 -0.01470 0.00867 -0.02767 0.04015 -0.00140 -0.00605 -0.00471 -0.00534 -0.01476 -0.01997 0.23821 0.04861 0.42104 0.01844 0.01076 0.02536 0.00631 -0.02696 -0.11447 -0.09372 0.67207 0.29624 1.90252 0.00386 -0.00031 -0.00050 -0.00107 0.00100 -0.00136 -0.00106 -0.00312 0.00069 -0.00464 -0.00205 -0.00058 0.00070 0.00036 -0.00055 -0.00031 0.00120 -0.00508 0.00059 -0.00591 -0.00055 -0.00350 0.00061 -0.00843 0.00654 -0.00948 -0.01132 0.00220 0.00785 -0.00114 -0.00416 0.00107 0.00354 0.00030 -0.00065 -0.00091 0.00136 0.00684 -0.00096 -0.00569 -0.00662 0.00171 0.00576 0.00049 -0.00106 -0.00148 0.00225 0.01114 -0.00157 -0.00936 -0.01561 0.02195 -0.01261 0.00067 0.01339 -0.02087 -0.00569 0.00702 -0.01693 -0.00680 -0.02052 0.00831 0.02610 0.00148 -0.00314 -0.00190 -0.00008 -0.01915 0.00959 0.01165 -0.00980 0.09058 0.00235 0.00312 0.08130 -0.11367 -0.04133 -0.01440 -0.08628 0.01361 0.01967 -0.00507 -0.01762 -0.00145 0.00321 0.00491 -0.00776 -0.03526 0.00539 0.03444 -0.02179 0.03377 -0.01741 0.00106 0.02182 -0.03260 -0.00914 0.00504 -0.02470 -0.01033 -0.02838 0.01129 0.03917 0.00224 -0.00441 -0.00270 0.00114 -0.02019 0.01049 0.00748 -0.01629 0.14578 0.00324 0.00491 0.13116 -0.17801 -0.06352 -0.02080 -0.13337 0.02163 0.02296 0.00133 -0.01205 -0.00212 0.00281 0.01136 -0.01797 -0.17616 0.03971 0.09109 -0.01477 0.02881 -0.06262 -0.00168 0.01953 -0.04826 -0.01469 0.11200 -0.07040 -0.01959 -0.02295 0.00662 0.05848 0.00284 -0.00524 -0.00441 -0.00384 -0.05231 0.03307 0.05403 -0.01375 0.12095 0.01077 0.00539 0.12076 -0.27304 -0.11829 -0.05713 -0.24410 0.03677 -0.22526 -0.07786 0.39934 -0.03742 0.09556 0.18360 -0.44594 -9.00828 1.25659 -6.83683 0.13715 0.00184 0.03021 0.00459 0.00931 0.05487 0.64823 6.32050 -1.76894 -3.91266 0.09605 0.01690 -0.03685 0.01508 -0.01560 -0.00171 0.11326 1.20223 0.06786 0.91935 -0.02313 0.01274 -0.00687 0.00229 -0.00190 -0.24822 -0.27663 -1.25336 -0.24517 0.68329 0.00115 -0.00210 -0.00030 0.00546 -0.00293 -0.00147 -0.00838 0.00293 0.00001 0.00016 -0.00170 0.00608 0.00223 -0.01767 0.00965 0.00566 0.02674 -0.00095 -0.00284 0.00176 0.00040 -0.00454 0.00307 -0.01149 0.00018 0.00055 0.01231 -0.00176 -0.01520 0.00212 0.00228 0.00131 -0.00709 -0.00332 0.00245 0.00159 0.00423 -0.00018 -0.00136 0.00102 -0.00042 -0.00120 -0.01466 -0.00239 0.00049 0.00011 0.00126 -0.00657 -0.00043 0.00591 -0.01778 -0.00194 0.02953 0.00055 -0.00084 0.00017 -0.00055 -0.00217 -0.00090 0.00376 -0.02661 -0.00222 0.04441 0.00072 -0.00151 -0.00023 -0.00263 -0.02341 0.00442 -0.00380 -0.01393 -0.00135 0.02379 0.00028 -0.00156 -0.00327 0.02813 0.34701 -0.12335 0.01370 0.02064 -0.00090 0.00168 0.00604 -0.00606 -0.01998 0.14972 1.42167 -0.61874 -0.23682 -0.00087 0.00077 -0.00082 -0.00005 -0.00176 0.00179 -0.00063 -0.00336 -0.00042 -0.00188 -0.00002 0.00033 -0.00016 0.00002 0.00009 -0.00016 0.00053 0.00687 -0.00213 0.00061 0.00035 0.00102 -0.00034 -0.00040 -0.01044 0.01184 -0.00198 -0.00031 -0.00777 0.00166 0.02825 0.01092 -0.00845 0.00013 -0.00064 -0.00105 0.00162 0.00086 0.00262 -0.00185 0.04621 0.01595 -0.01462 0.00027 -0.00056 -0.00095 0.00477 -0.01010 0.00736 -0.02499 0.01884 0.00562 -0.01000 0.00089 -0.00077 -0.00074 0.02021 0.40250 -0.02836 0.51670 -0.00873 -0.00282 -0.01636 -0.00308 0.00921 0.02793 0.11703 2.88742 -0.27314 3.37825 0.00151 -0.00002 -0.00017 -0.00137 -0.00091 -0.00096 0.00134 -0.00583 -0.00059 -0.00538 0.00316 0.00025 -0.00167 0.00015 0.00024 -0.00006 -0.00003 0.00015 0.00037 -0.00110 0.00030 -0.00168 -0.00007 -0.00874 -0.00671 -0.00816 0.01143 -0.00077 -0.00537 0.00202 -0.00603 0.00058 -0.01160 -0.00035 -0.00031 -0.00062 0.00107 0.00689 -0.00055 -0.00732 -0.00962 0.00091 -0.01857 -0.00056 -0.00049 -0.00101 0.00174 0.01106 -0.00084 -0.01171 0.01122 0.00779 0.03851 -0.01663 0.01126 0.01092 0.01969 -0.01190 0.00326 0.01381 -0.02732 0.00072 -0.06893 -0.00166 -0.00050 -0.00137 -0.00116 -0.01473 0.00804 0.02095 -0.01555 0.07271 -0.00186 -0.09899 0.06564 0.05821 0.11810 -0.00236 0.00732 0.00193 0.02826 -0.00252 0.05411 0.00162 0.00146 0.00306 -0.00523 -0.03148 0.00144 0.03069 0.01555 0.01370 0.05062 -0.02707 0.01807 0.01719 0.03115 -0.01125 0.00253 0.01351 -0.04000 0.00061 -0.09717 -0.00231 -0.00085 -0.00216 -0.00125 -0.01966 0.01087 0.02416 -0.02451 0.11680 -0.00101 -0.15942 0.10431 0.09324 0.18264 -0.00493 0.00976 0.00488 0.04459 -0.00628 0.13945 0.00481 0.00315 0.00987 -0.02609 -0.22623 0.05365 0.23956 0.01961 0.01143 0.04431 -0.02657 0.01885 0.03192 0.05015 -0.04576 0.01894 0.08163 -0.03384 -0.00050 -0.10605 -0.00339 -0.00021 -0.00291 -0.00321 -0.05310 0.02660 0.08191 -0.02185 0.09876 -0.00026 -0.14780 0.10735 0.14184 0.32803 -0.00288 0.03343 -0.00395 0.02148 0.06778 0.01113 0.04694 -0.11056 -0.36877 -0.54138 -3.98689 1.01058 5.11728 0.06373 -0.00342 0.03272 -0.00257 0.02504 0.14024 0.18715 0.72859 -0.04669 -0.12899 -0.07627 -0.01405 -0.05159 -0.01648 0.01802 0.05362 -0.31094 -2.94622 0.93330 3.45547 -0.01530 0.01378 -0.00336 -0.02259 0.02208 0.11385 0.38302 -0.05961 0.12914 0.08943 0.00034 0.00325 0.00121 0.00190 0.00388 -0.00735 0.00011 0.00114 -0.00695 -0.00045 0.00155 -0.01090 0.00054 -0.00527 -0.01202 0.02323 0.00049 0.00436 0.01861 -0.00436 0.00043 -0.00006 0.00052 0.01010 0.00344 -0.00947 0.01085 -0.00362 -0.01252 0.00353 -0.00044 -0.00115 0.00047 -0.00092 -0.00213 0.00465 -0.00046 -0.00241 0.00355 0.00360 0.00112 -0.00154 -0.00620 0.00156 0.00093 -0.00159 0.00243 0.00573 -0.00449 -0.00459 0.00472 0.00002 0.01187 0.00047 0.00012 0.00078 0.00006 0.00502 -0.00227 -0.00377 0.00761 0.00001 0.01926 0.00077 0.00019 0.00127 0.00009 0.00793 -0.00364 -0.00592 -0.01259 0.00396 -0.01812 -0.01878 -0.00858 0.01633 -0.01650 -0.01040 0.01648 0.01157 0.02663 0.00242 0.07419 0.00336 0.00021 0.00085 -0.00045 -0.00236 -0.00230 0.00043 -0.00174 -0.01207 0.00931 -0.10102 -0.04746 0.08397 -0.08478 0.01956 0.08083 -0.02020 -0.02150 0.00002 -0.05799 -0.00230 -0.00065 -0.00396 -0.00005 -0.01994 0.00891 0.01334 -0.01727 0.00545 -0.02106 -0.03033 -0.01371 0.02629 -0.02616 -0.01522 0.02521 0.01634 0.04210 0.00297 0.11582 0.00534 0.00048 0.00196 -0.00066 -0.00423 -0.00496 0.00299 -0.00355 -0.01809 0.01373 -0.16442 -0.07547 0.13508 -0.13440 0.03072 0.12656 -0.03051 -0.03518 0.00101 -0.09919 -0.00763 0.00100 -0.00960 -0.00781 -0.16402 0.09621 0.17103 -0.00662 0.00742 -0.00693 -0.02446 -0.01422 0.03549 -0.04402 -0.01635 0.03580 0.01049 0.00134 0.00417 0.02489 0.00460 -0.00111 -0.00509 0.00954 0.04369 -0.02908 -0.07693 -0.00399 -0.01943 0.00910 -0.14491 -0.07806 0.18440 -0.22326 0.04946 0.22111 -0.05527 -0.21423 -0.08371 -0.16914 -0.08155 0.11152 0.24292 -0.36464 -2.97811 1.24884 3.09488 0.04548 0.01905 0.04813 0.02251 -0.03407 -0.07891 -0.03244 -0.84640 0.10288 0.60285 -0.05462 0.00267 -0.02121 -0.00171 -0.00942 -0.05329 -0.05183 -0.54571 0.10123 0.24285 -0.00658 -0.01137 -0.01047 -0.01588 -0.01138 0.15529 -0.27881 0.11066 0.18704 -0.20718 0.00049 0.00000 0.00113 -0.00175 -0.00070 -0.00208 0.00245 0.00246 -0.00201 -0.00179 0.00272 0.00028 0.00541 0.00558 0.00278 0.00684 -0.00549 0.00080 0.00483 -0.00118 -0.00028 0.01549 0.00512 -0.00838 0.01854 0.02319 0.02389 0.00144 0.01464 -0.00214 -0.01117 0.00311 -0.03007 0.00010 0.00059 0.00056 0.00051 0.00601 0.00266 -0.00407 -0.00890 0.00352 -0.02497 -0.00235 0.00341 0.00374 0.00431 -0.00163 0.00491 0.00327 -0.00574 0.00251 0.03463 0.00111 -0.00205 -0.00078 0.00113 -0.00115 0.00155 -0.00222 -0.00998 0.00424 0.04794 0.00153 -0.00338 -0.00154 0.00026 -0.01759 0.01064 0.02094 -0.00170 0.00244 0.02186 0.00038 -0.00221 -0.00366 0.04299 0.44247 -0.16151 -0.36121 -0.00495 -0.00050 0.00406 -0.00403 0.00357 0.01106 0.20997 2.59440 -0.92458 -1.82756 -0.00111 0.00190 -0.00049 0.00006 0.00102 -0.00218 -0.00118 -0.00456 -0.00049 0.00214 -0.00041 0.00018 0.00037 0.00004 -0.00008 -0.00032 0.00096 0.00598 -0.00188 -0.00689 -0.00080 0.00723 0.00009 0.00017 0.00665 -0.01199 -0.00527 -0.00107 -0.01311 0.00160 -0.00838 -0.00304 -0.02920 -0.00108 0.00009 -0.00043 0.00030 0.00111 0.00100 0.00088 -0.01597 -0.00416 -0.05308 -0.00157 -0.00018 -0.00184 -0.00052 -0.01265 0.00828 0.02861 -0.00604 -0.00289 -0.02396 -0.00078 0.00058 -0.00517 0.03906 0.40367 -0.13692 -0.59153 0.00837 0.00003 0.00958 0.00297 -0.00300 -0.03925 0.23164 2.25527 -0.81580 -3.66837 0.00150 0.00076 0.00439 -0.00136 0.00099 0.00136 0.00289 0.00267 -0.00103 -0.00400 -0.00001 0.00013 -0.00083 -0.00001 -0.00001 -0.00011 0.00058 0.00564 -0.00151 -0.00677 -0.00133 0.00586 -0.00036 -0.00830 0.00549 0.00718 0.01507 -0.00110 0.00057 0.00132 -0.02322 0.00686 -0.05370 -0.00149 0.00001 -0.00058 0.00088 0.00104 0.00207 0.00074 -0.04053 0.01017 -0.09676 -0.00264 -0.00042 -0.00191 0.00239 -0.00634 0.00283 0.00708 -0.02314 0.00174 -0.06824 -0.00416 0.00181 0.00350 0.00910 0.21887 -0.03094 -0.19433 -0.01625 -0.00165 -0.02834 -0.00960 0.00432 0.04087 0.02544 1.38915 -0.33265 -1.25260 0.00105 -0.00036 0.00206 -0.00143 -0.00064 0.00189 -0.00155 0.00456 0.00146 -0.00418 0.00156 0.00019 0.00425 0.00017 0.00001 -0.00002 0.00004 -0.00054 0.00032 0.00019 -0.00050 -0.00071 0.00008 -0.00805 -0.00360 0.01029 -0.01000 0.00132 0.01024 -0.00147 -0.01697 0.00017 -0.03490 -0.00124 -0.00061 -0.00187 0.00145 0.00311 0.00291 -0.00133 -0.02745 0.00028 -0.05670 -0.00202 -0.00100 -0.00306 0.00241 0.00500 0.00482 -0.00211 0.03393 -0.02516 0.11553 0.00324 -0.01749 -0.01825 -0.00701 -0.00718 -0.02126 -0.00007 -0.06721 0.00215 -0.17982 -0.00585 0.00027 -0.00346 0.00230 0.00277 0.00946 0.00331 -0.00002 -0.07301 -0.02204 -0.00001 -0.08929 -0.10255 -0.03620 -0.01227 -0.09090 0.01436 0.07913 -0.00086 0.16056 0.00577 0.00333 0.00961 -0.00854 -0.01535 -0.01540 0.00685 0.05277 -0.03789 0.17162 0.00480 -0.02667 -0.02784 -0.01007 -0.00960 -0.03079 -0.00148 -0.10025 0.00342 -0.26391 -0.00873 0.00037 -0.00493 0.00357 0.00400 0.01530 0.00566 -0.00022 -0.11316 -0.03250 0.00028 -0.13715 -0.15463 -0.05284 -0.01732 -0.13519 0.02251 0.12528 0.00139 0.27599 0.01106 0.00192 0.01467 -0.00497 -0.01406 -0.04138 -0.00215 0.03315 -0.03239 0.14516 0.00547 -0.02587 -0.03220 -0.01744 -0.01907 -0.05890 -0.00615 -0.08088 0.00055 -0.22985 -0.00528 0.00107 -0.00524 0.00426 0.02044 -0.00769 -0.02695 0.00324 -0.10203 -0.02900 -0.00046 -0.13614 -0.19888 -0.07941 -0.03195 -0.19893 0.02845 0.10153 -0.03072 0.18874 0.01429 0.02014 0.01257 0.10649 0.97962 -0.16665 -0.77304 -0.02715 0.01358 -0.01121 0.00579 -0.01506 -0.03755 -0.01715 -0.03456 -0.09856 0.02204 -0.01286 0.01228 -0.04209 0.00070 -0.00846 -0.00885 0.01670 0.12991 -0.19091 -0.26236 0.00361 -0.00617 0.00393 0.01261 -0.00792 -0.12216 -0.05101 0.06839 -0.16573 0.08451 0.00529 -0.00240 0.01129 0.00463 0.00043 -0.00216 0.00556 0.00012 -0.00210 0.00071 0.00068 0.00541 0.00371 -0.01314 -0.00116 0.00797 -0.01810 0.00216 0.00432 -0.00179 -0.00144 -0.00496 -0.00051 -0.00811 -0.01044 -0.00041 -0.01085 0.00155 0.00460 -0.00120 0.00046 0.00151 0.00248 -0.00249 0.00006 0.00255 -0.00449 -0.00199 -0.00071 0.00160 0.00629 -0.00259 0.00580 -0.00138 -0.00145 0.00008 -0.00219 -0.00086 -0.00010 -0.00025 -0.00438 -0.00259 -0.00149 0.00008 0.00126 -0.00034 0.00082 -0.00094 -0.00041 -0.00231 -0.00663 -0.00401 -0.00225 0.00011 0.00204 -0.00048 0.00123 -0.00141 -0.00060 -0.00391 0.07025 0.10024 -0.02399 -0.00145 -0.03304 -0.03966 0.02861 0.01220 0.06751 -0.01364 -0.12760 0.04893 0.03939 0.00369 -0.02165 -0.01553 0.01429 0.00217 0.02771 -0.00503 0.00965 0.07594 0.00031 -0.00192 0.00373 0.05976 -0.04751 -0.01737 -0.10593 0.01323 0.01408 0.01155 0.00357 0.00042 -0.00708 0.00201 0.00188 -0.00225 -0.00110 0.01531 0.09872 0.13534 -0.02937 -0.00176 -0.05051 -0.06412 0.04493 0.01712 0.10785 -0.02474 -0.17487 0.06609 0.05638 0.00552 -0.03223 -0.02668 0.02139 -0.00064 0.04344 -0.01093 0.01324 0.10477 -0.00046 -0.00282 0.00555 0.09568 -0.07349 -0.02444 -0.16850 0.01338 0.02874 0.00405 0.00133 -0.02464 0.02035 -0.01924 -0.20078 0.08881 0.07355 -0.05024 0.05143 0.07169 -0.01075 0.01155 -0.05656 -0.13907 0.12100 0.20545 0.09960 0.03303 -0.09847 0.02846 0.03675 0.01327 -0.03004 -0.06077 0.04446 -0.17348 0.04021 -0.19032 0.00409 0.04905 -0.00789 0.00219 -0.00632 0.06702 -0.16474 -0.06101 -0.37250 0.07222 0.14515 -0.01042 -0.01561 -0.01701 -0.03305 -0.00497 0.19089 0.37153 -0.04813 -1.12794 0.02365 0.08449 0.00290 0.07534 0.00546 -0.18367 0.37630 1.01445 0.04086 1.46720 -0.02077 0.03110 0.05538 0.03843 0.02669 -0.03053 0.18122 0.04735 0.14198 0.12596 0.00496 0.04837 0.00454 0.03634 0.01594 -0.00400 -0.18844 -0.00595 -0.53173 0.86419 0.01052 0.00194 -0.00209 -0.00083 -0.00001 -0.00032 -0.00055 0.00505 0.00339 0.00510 0.01453 0.00886 -0.00458 0.00126 -0.01179 -0.01004 0.00668 -0.00098 0.00184 -0.00102 0.00821 -0.01546 -0.00501 -0.00047 0.01820 0.01593 -0.00050 -0.00182 -0.00890 0.00286 0.01485 0.01785 -0.00505 -0.00084 -0.00654 -0.00605 -0.00213 0.00173 0.00274 0.00215 0.02449 -0.01343 -0.00525 -0.00133 0.00653 0.00437 0.00025 0.00310 -0.00031 0.00384 -0.00711 -0.01322 0.00699 0.00088 0.00500 0.00340 -0.00072 0.00712 -0.00318 0.00537 -0.01147 -0.02123 0.01128 0.00143 0.00797 0.00552 -0.00102 0.01134 -0.00515 0.00864 -0.08588 -0.11151 0.00737 0.00107 0.03648 0.01723 -0.00439 -0.00634 -0.01042 0.00317 0.04832 -0.00309 -0.03439 -0.00457 -0.00113 0.00012 -0.00153 0.00122 0.00370 0.00686 -0.01136 -0.05080 0.01435 -0.00053 0.00434 -0.00241 0.00316 -0.00003 0.01326 -0.00354 0.03131 0.05776 -0.03311 -0.00467 -0.02224 -0.01893 -0.00137 -0.02796 0.01536 -0.02371 -0.12628 -0.16320 0.01055 0.00276 0.05069 0.02357 -0.00054 -0.01048 -0.01233 0.00427 0.06672 -0.00317 -0.04982 -0.00644 -0.00334 -0.00148 -0.00305 0.00063 0.00823 0.01096 -0.01726 -0.07400 0.02202 -0.00042 0.00555 -0.00204 0.00471 -0.00303 0.01756 -0.00416 0.02467 0.05702 -0.03316 -0.00313 -0.01261 0.01793 0.04376 -0.18048 0.05163 -0.12066 -0.10647 -0.13819 0.00646 -0.00256 0.04565 0.01051 -0.04122 0.00876 -0.04041 0.01562 0.06383 0.00057 -0.03197 -0.00547 -0.00191 0.00696 0.01526 0.02047 0.00993 0.01739 -0.00912 -0.05740 0.01653 -0.00160 0.00409 -0.00669 -0.00966 0.04400 0.02025 -0.01315 -0.04111 -0.09133 -0.02215 -0.09157 -0.00427 -0.17057 0.03555 -2.10380 0.59834 -1.84315 0.01966 0.02769 -0.00292 0.01748 -0.00403 0.03880 0.04438 0.08812 -0.15600 0.28980 0.01512 -0.01551 0.00107 -0.02163 -0.01047 -0.02520 -0.00566 0.04811 0.11842 0.06147 0.00733 0.02795 -0.00031 0.01511 -0.00710 0.00595 0.01305 -0.15596 -0.06569 0.01666 0.00265 -0.00220 -0.00340 -0.00034 -0.00087 -0.00498 0.00369 0.00221 0.01083 -0.00088 0.00907 0.00488 -0.00069 -0.00023 -0.00255 -0.00633 0.00561 0.00112 0.01324 -0.00305 0.00774 -0.00551 -0.00622 -0.00045 0.00163 0.00198 -0.00039 0.00010 -0.00235 0.00021 0.00424 0.00467 -0.00575 -0.00078 0.00252 0.00811 -0.00655 -0.00255 -0.01085 0.00185 0.00750 -0.00578 -0.00288 -0.00044 0.00153 0.00019 -0.00194 -0.00022 -0.00238 0.00022 -0.03882 -0.03009 -0.01155 -0.00013 0.01907 0.02226 -0.01515 -0.00480 -0.03371 0.00792 -0.05609 -0.04764 -0.01273 -0.00157 0.02970 0.03636 -0.03644 -0.00501 -0.06063 0.01051 -0.02683 -0.01556 -0.00280 0.01105 0.02390 0.09652 -0.03991 0.15584 -0.14026 0.08976 -0.03595 -0.02327 0.00456 -0.01118 0.00888 0.13815 -0.30964 -0.20944 -0.35399 -0.24219 -0.00226 -0.00453 0.00157 0.00028 0.00099 0.00305 -0.00111 0.00008 -0.00547 0.00162 0.00508 0.00034 0.00065 -0.00029 -0.00093 -0.00153 -0.00039 0.00019 0.00138 -0.00071 -0.00480 -0.00673 -0.00087 -0.00006 0.00212 0.00146 -0.00134 -0.00281 -0.00312 -0.00060 0.02242 -0.04275 -0.01818 -0.00310 0.00279 -0.00717 0.00647 0.00237 0.01866 -0.00058 0.03560 -0.07006 -0.02812 -0.00588 0.00322 -0.02293 0.00640 0.00042 0.03213 -0.00284 0.02242 -0.03734 -0.01868 0.00777 0.00947 0.00927 0.04086 0.12873 0.05246 0.09444 -0.01843 -0.04367 -0.00484 -0.01115 0.00664 0.02079 -0.07656 0.70826 0.09033 -0.20010 -0.00625 -0.00642 0.00140 0.00004 0.00140 -0.00041 -0.00064 -0.00019 0.00048 -0.00104 0.00209 0.00294 0.00106 0.00067 -0.00083 -0.00026 0.00099 0.00176 -0.00319 0.00060 -0.00281 0.00098 0.00171 0.00044 0.00032 0.00052 0.00101 0.00236 0.00153 0.00009 -0.04856 -0.00832 0.03302 0.00365 -0.00132 -0.00868 0.01009 0.00096 0.01415 -0.00623 -0.07575 -0.01062 0.05580 0.00579 -0.00447 -0.02206 0.02194 -0.00800 0.03093 -0.01783 -0.03625 -0.00121 0.04599 0.00746 -0.00544 -0.01153 0.04691 0.21632 0.03670 0.14642 -0.00935 -0.03128 0.02397 -0.02027 0.00269 0.00470 0.03185 0.45009 0.31274 0.25630 -0.00520 -0.00769 0.00023 0.00004 0.00322 0.00193 0.00084 -0.00044 0.00043 -0.00007 -0.00266 -0.00117 0.00076 -0.00005 0.00003 -0.00028 -0.00047 -0.00278 0.00056 -0.00292 0.00188 -0.00296 -0.00040 -0.00024 0.00039 -0.00044 0.00008 0.00057 0.00231 0.00090 -0.00749 0.01278 0.00325 0.00086 -0.00678 -0.00359 0.00114 0.00855 0.00355 0.01076 -0.01206 0.02053 0.00520 0.00142 -0.01093 -0.00587 0.00201 0.01369 0.00562 0.01727 -0.00043 -0.06922 -0.00412 0.00259 0.01436 0.00921 0.00068 0.00454 -0.00785 0.01160 0.09018 -0.08047 -0.02267 -0.00425 0.03494 0.01190 -0.00340 0.00602 -0.00596 0.01380 0.00538 -0.04853 -0.00689 0.00393 -0.00026 -0.00199 0.01321 0.00184 0.00408 0.00024 0.03324 -0.05593 -0.01339 -0.00528 0.03263 0.02039 -0.01113 -0.03647 -0.01285 -0.04811 0.00212 -0.09982 -0.00656 0.00356 0.01894 0.01159 0.00165 0.00797 -0.00741 0.01947 0.12950 -0.11895 -0.03158 -0.00700 0.05234 0.01772 -0.00828 0.01129 -0.00459 0.02288 0.00812 -0.07060 -0.01080 0.00526 -0.00050 -0.00215 0.01696 0.00185 0.00298 0.00088 0.02610 -0.05992 -0.02002 0.00767 0.01297 -0.01498 0.03232 -0.17831 -0.09675 -0.20359 -0.00593 -0.08666 -0.00241 0.00364 0.01679 0.00691 0.00139 -0.01370 -0.01210 -0.00800 0.11243 -0.10278 -0.03836 0.00173 0.03513 0.00309 0.01861 0.00524 -0.04477 0.01560 0.00614 -0.05643 -0.00610 0.01083 -0.00719 0.00341 0.04847 -0.01485 -0.01163 -0.01195 -0.02243 0.06974 0.04022 0.06199 0.04020 0.19877 -0.22712 -3.16930 -0.72107 -3.08657 -0.02281 0.00192 0.00370 0.00298 0.00692 -0.01126 -0.01824 0.23682 -0.01619 0.23741 0.00225 0.02907 0.01077 0.02545 0.01675 0.07740 -0.07370 -0.36576 -0.02531 0.18221 -0.00173 0.02622 0.01095 0.02104 -0.01249 0.03925 0.09585 -0.18740 -0.13215 -0.06264 0.00365 0.00330 -0.00094 -0.00047 0.00149 0.00473 -0.00442 -0.00027 -0.00759 0.00184 0.01154 0.00351 -0.00253 -0.00064 0.00130 0.00244 -0.00210 -0.00149 -0.00589 -0.00060 0.00185 -0.00640 -0.00032 -0.00028 0.00296 0.00651 -0.00693 -0.00306 -0.01347 0.00040 0.00696 0.00715 -0.00212 -0.00050 -0.00033 0.00123 -0.00052 0.00054 -0.00075 0.00076 0.00657 -0.00138 -0.00211 -0.00023 -0.00141 -0.00684 0.00420 0.00119 0.01401 -0.00300 -0.03259 0.02548 0.00503 0.00270 -0.01887 -0.02045 0.01704 0.00482 0.03529 -0.00750 -0.05063 0.03935 0.00847 0.00264 -0.02866 -0.03821 0.02528 0.00658 0.07483 -0.03054 -0.02803 0.01533 -0.00172 -0.00007 -0.02448 -0.09850 0.04164 0.24605 0.19588 0.30283 -0.02411 0.01938 0.01181 0.01975 0.01628 -0.12944 0.14876 0.97897 0.67839 1.43938 -0.00236 -0.00294 0.00019 0.00037 -0.00015 0.00118 -0.00004 -0.00165 -0.00288 -0.00275 0.00427 -0.00398 -0.00107 -0.00053 0.00221 0.00292 -0.00338 -0.00144 -0.00456 -0.00132 0.00403 -0.00606 -0.00097 -0.00004 0.00207 0.00137 -0.00133 0.00318 -0.00173 0.00591 0.02953 0.04756 -0.00303 -0.00500 0.00401 0.00659 -0.00926 -0.00197 -0.01265 -0.00004 0.04592 0.07445 -0.00264 -0.00897 0.00639 0.01739 -0.02364 -0.01732 -0.02649 -0.01137 0.02880 0.04339 -0.00794 0.00094 -0.01097 0.00337 0.01274 0.20734 -0.00522 0.25046 -0.01203 0.05020 0.00262 0.03436 0.00163 -0.01130 0.11528 0.95434 -0.20839 1.51602 0.00193 -0.00077 -0.00003 -0.00076 0.00172 0.00002 -0.00224 -0.00173 0.00108 -0.00310 0.00530 -0.00673 -0.00167 0.00048 0.00075 -0.00035 0.00264 0.00205 0.00039 0.00245 0.00266 0.00139 -0.00053 -0.00045 0.00037 -0.00025 -0.00032 -0.00219 0.00079 -0.00323 -0.05094 0.00265 0.01152 0.00247 -0.00379 0.00899 -0.00705 -0.00363 -0.02093 0.00410 -0.07883 0.00251 0.01816 0.00393 -0.00349 0.02418 -0.01639 -0.01704 -0.04817 -0.00225 -0.03737 -0.00080 0.00692 0.00663 -0.01044 0.01941 0.00722 0.19538 -0.04501 0.29173 -0.00372 0.02740 0.02489 0.01744 0.00231 0.06604 -0.04550 -0.05606 -0.08697 0.75415 0.00470 -0.00523 -0.00121 -0.00001 0.00162 0.00034 0.00092 0.00281 0.00032 0.00403 0.00214 -0.00523 -0.00083 -0.00024 0.00296 0.00187 -0.00049 -0.00103 0.00100 -0.00154 -0.00236 -0.00295 -0.00009 0.00038 -0.00017 -0.00044 0.00156 -0.00066 0.00080 -0.00135 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 17 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 18 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 19 H 1S 2S 3S 4S 5PX 5PY 5PZ 20 H 1S 2S 3S 4S 5PX 5PY 5PZ 21 H 1S 2S 3S 4S 5PX 5PY 5PZ 22 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 23 H 1S 2S 3S 4S 5PX 5PY 5PZ 24 H 1S 2S 3S 4S 5PX 5PY 5PZ 25 H 1S 2S 3S 4S 5PX 5PY 5PZ 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|17 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|18 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|19 H 1S|2S|3S|4S|5PX|5PY|5PZ|20 H 1S|2S|3S|4S|5PX|5PY|5PZ|21 H 1S|2S|3S|4S|5PX|5PY|5PZ|22 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|23 H 1S|2S|3S|4S|5PX|5PY|5PZ|24 H 1S|2S|3S|4S|5PX|5PY|5PZ|25 H 1S|2S|3S|4S|5PX|5PY|5PZ 1.10446 0.88466 0.23852 0.23030 0.16488 0.75846 0.53067 0.52446 0.42090 0.46157 0.18080 0.24614 0.36123 -0.11690 0.10521 0.05191 0.02055 0.00412 0.00935 0.00536 0.01727 0.02411 1.10445 0.88470 0.23634 0.23546 0.16114 0.75704 0.53683 0.54793 0.41701 0.46246 0.16087 0.18386 0.37527 -0.00399 -0.01179 -0.01883 -0.01103 0.00370 0.00879 0.00558 0.01754 0.01815 1.10452 0.88475 0.21891 0.23783 0.16909 0.76403 0.50608 0.54352 0.44036 0.40805 0.06814 0.22480 0.33227 0.19571 0.23528 0.13737 0.15102 0.00602 0.01471 0.01093 0.03037 0.03650 1.10436 0.88483 0.23383 0.23451 0.17167 0.75804 0.53328 0.53463 0.44826 0.39160 0.18709 0.17424 0.36326 -0.33727 -0.14782 -0.01262 -0.10555 0.00482 0.01098 0.00922 0.02193 0.02436 1.10442 0.88467 0.22994 0.23946 0.16890 0.75743 0.52428 0.52966 0.43071 0.44988 0.17545 0.22880 0.35671 0.12984 -0.11126 0.13529 0.03223 0.00405 0.00844 0.00704 0.01902 0.01999 1.10440 0.88469 0.23064 0.23987 0.16886 0.75536 0.52106 0.53420 0.43246 0.44691 0.25544 0.15034 0.36495 0.17327 0.09329 0.02697 0.00868 0.00373 0.00409 0.01109 0.02257 0.01698 0.27335 0.48826 0.03515 -0.04763 0.00639 0.01246 0.00556 1.10446 0.88463 0.24211 0.23143 0.16205 0.76190 0.53495 0.52696 0.41612 0.44492 0.18136 0.21541 0.33823 -0.74817 -0.08168 0.05148 0.03489 0.00430 0.01027 0.00572 0.01690 0.02269 0.27170 0.49285 0.03317 -0.02572 0.00725 0.01163 0.00582 0.27221 0.49349 0.02228 -0.04778 0.01435 0.00423 0.00594 1.10437 0.88468 0.23886 0.23132 0.17277 0.75276 0.53004 0.52492 0.44123 0.46769 0.18312 0.23777 0.37001 0.46300 0.06204 0.06519 0.00181 0.00416 0.00830 0.00526 0.01609 0.02167 1.10452 0.88464 0.23312 0.23403 0.16351 0.76473 0.52907 0.51441 0.41828 0.44624 0.24019 0.09022 0.32840 -0.20951 0.05596 0.01464 0.02778 0.00477 0.00560 0.01661 0.03645 0.02432 0.27146 0.49155 0.02335 -0.05682 0.00694 0.01219 0.00532 0.27129 0.49178 0.01919 -0.03794 0.00696 0.01188 0.00585 0.27394 0.49448 0.02490 -0.06325 0.01431 0.00307 0.00517 1.09562 0.89552 0.25800 0.30187 0.20858 0.88812 0.58620 0.65815 0.49113 0.78478 0.28391 0.36994 0.43057 -0.13238 -0.09569 -0.11015 -0.05551 0.00379 0.00501 0.00602 0.01305 0.00749 1.13284 0.85397 0.16615 0.19713 0.08768 0.66555 0.34834 0.41227 0.20511 0.33624 0.06113 0.05486 0.04076 0.01400 -0.01901 0.00973 0.04215 0.01349 0.01850 0.02093 0.03028 0.03380 1.10421 0.88493 0.22531 0.21333 0.21272 0.72529 0.53517 0.50215 0.50766 0.50808 0.36726 0.34994 0.35532 0.15262 -0.02862 0.02878 0.00435 0.00242 0.00800 0.00959 0.00824 0.00290 0.26263 0.47789 0.04448 0.01209 0.01064 0.00542 0.00880 0.26966 0.47800 0.06165 -0.01401 0.00631 0.00880 0.00891 0.26853 0.48416 0.06729 0.01651 0.00631 0.01136 0.00618 1.10421 0.88494 0.21489 0.22452 0.21162 0.72372 0.50828 0.53035 0.50449 0.52030 0.37218 0.37267 0.34929 0.17706 0.00937 -0.01849 0.00236 0.00276 0.01103 0.00592 0.00341 0.00751 0.26299 0.48242 0.04559 0.01197 0.00730 0.00855 0.00890 0.26990 0.47598 0.06663 0.00886 0.00857 0.00618 0.00897 0.26763 0.47937 0.05492 0.00881 0.00884 0.00912 0.00612 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 C C C C C C H C H H C C H H H N B C H H H C H H H -0.228058 -0.071489 -0.720253 0.512341 -0.324946 -0.449866 0.226470 0.639075 0.203301 0.235272 -0.787053 0.072031 0.246006 0.230981 0.247375 0.105995 0.274106 -0.679651 0.178055 0.180680 0.139639 -0.722395 0.172279 0.154913 0.165190 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 8 11 12 16 17 18 22 C C C C C C C C C N B C C -0.001588 -0.071489 -0.720253 0.512341 -0.121644 -0.214594 0.885082 -0.556072 0.319406 0.105995 0.274106 -0.181278 -0.230013 0.00000 204.470 14.335 210.184 -11.901 -1.477 100.421 199.374 11.721 190.040 -13.784 -1.040 107.352 -13.9724 -8.0378 -0.0003 0.0004 0.0005 6.5069 40.6375 81.8891 88.3252 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 40.5102 81.7644 88.2724 134.9888 148.5607 177.4688 188.1095 270.2613 315.8073 363.5903 431.7308 444.5132 451.7466 484.1384 542.7782 554.0956 574.3647 657.5666 663.5518 692.4414 780.6045 807.6679 823.1203 832.4794 844.0999 855.7402 881.5083 912.9637 956.9009 987.5244 995.8573 1012.3035 1022.0624 1056.0898 1089.5950 1141.0249 1148.3769 1164.1146 1209.1099 1235.5657 1279.8421 1289.9720 1324.7015 1334.5295 1352.1258 1407.5757 1427.4674 1438.4970 1449.7018 1461.3889 1467.6953 1476.4414 1515.3205 1552.6325 1641.0990 1664.8700 1687.2141 3011.8135 3022.7583 3083.2366 3087.4484 3125.0065 3130.9951 3160.6978 3177.3337 3185.1288 3186.8884 3207.5686 3217.7233 2.7299 2.5805 1.2234 2.9437 1.1485 4.1925 3.6013 2.6829 3.3246 2.3750 2.8711 3.9704 3.7048 3.0918 5.1173 6.2073 4.0012 3.0622 2.9860 1.6801 1.2220 3.1866 2.0328 4.5217 1.3991 2.5337 2.4970 2.3221 1.4038 1.4180 3.1797 1.3434 1.3574 2.8992 2.2035 2.2353 2.5175 1.3213 1.4779 2.1211 1.7540 2.0431 1.3538 1.5774 2.7859 4.0405 2.2132 1.0763 1.0631 1.8377 1.1446 1.0845 2.8146 4.0711 6.7621 5.5821 6.7140 1.0460 1.0408 1.0872 1.0923 1.1026 1.1004 1.0902 1.0875 1.0905 1.0902 1.0976 1.0974 0.0026 0.0102 0.0056 0.0316 0.0149 0.0778 0.0751 0.1155 0.1954 0.1850 0.3153 0.4622 0.4455 0.4270 0.8883 1.1229 0.7777 0.7801 0.7746 0.4746 0.4387 1.2247 0.8115 1.8463 0.5873 1.0932 1.1432 1.1403 0.7574 0.8148 1.8579 0.8111 0.8354 1.9052 1.5413 1.7146 1.9561 1.0550 1.2730 1.9078 1.6927 2.0031 1.3998 1.6551 3.0009 4.7166 2.6570 1.3122 1.3164 2.3124 1.4527 1.3928 3.8078 5.7822 10.7301 9.1162 11.2608 5.5901 5.6030 6.0891 6.1344 6.3438 6.3556 6.4169 6.4688 6.5184 6.5237 6.6536 6.6941 0.9347 2.2500 0.8603 0.6104 0.4572 5.5356 0.1659 0.1240 3.2096 2.3625 1.6360 2.0609 8.7023 1.0045 0.7851 3.5317 1.3811 9.8324 9.3304 4.2499 5.9205 4.7124 73.9122 0.9368 16.7418 27.8862 10.2713 22.2094 1.6920 0.1686 24.5896 0.3321 1.8671 0.5717 19.4427 32.1716 59.3846 6.5728 74.5502 0.9381 0.6494 91.0847 111.9718 94.3315 35.7500 6.7624 0.3505 0.6350 1.5271 0.2881 6.9544 11.4170 5.9882 42.1538 62.0850 11.3904 36.5681 2.9147 6.8988 20.7107 33.6695 29.0172 34.9673 31.6949 7.0878 7.5055 13.7901 28.3709 17.6708 0.00 0.00 -0.07 0.01 -0.00 -0.04 0.01 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.05 -0.00 -0.00 -0.08 0.00 0.00 -0.09 -0.00 0.01 0.04 -0.01 -0.01 -0.05 -0.01 -0.01 -0.11 0.00 0.02 0.08 0.01 0.03 0.07 -0.01 0.00 0.05 0.00 0.03 0.12 0.02 0.04 0.09 0.01 0.02 0.02 -0.02 -0.02 -0.00 0.10 0.03 -0.19 -0.01 0.06 -0.31 0.19 0.04 -0.23 0.19 0.04 -0.20 -0.13 -0.09 0.23 0.12 -0.11 0.39 -0.34 -0.19 0.39 -0.17 -0.04 0.07 0.02 0.00 0.09 0.02 0.00 0.10 0.02 0.00 0.08 -0.01 0.00 -0.05 -0.01 0.00 -0.07 0.00 -0.00 0.03 0.02 0.00 0.11 -0.03 0.01 -0.15 -0.03 0.00 -0.16 0.00 -0.00 0.02 -0.02 0.01 -0.09 0.01 0.02 0.09 -0.06 0.00 -0.28 -0.04 0.02 -0.16 0.03 0.02 0.17 0.03 0.01 0.17 -0.01 -0.01 0.01 0.03 -0.11 -0.08 -0.01 0.19 -0.08 -0.02 -0.29 0.10 0.15 -0.20 -0.35 -0.05 0.06 -0.08 0.20 -0.17 -0.07 -0.24 0.12 0.12 -0.04 0.23 -0.38 -0.01 0.01 -0.03 -0.01 0.00 -0.04 -0.00 0.00 -0.02 0.01 0.00 0.01 0.01 0.00 0.03 0.00 0.01 0.00 -0.01 0.00 -0.05 0.01 0.00 0.03 0.02 0.00 0.06 0.00 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.03 0.02 0.00 0.07 0.01 -0.00 0.02 -0.00 -0.00 -0.06 -0.01 -0.00 -0.05 -0.02 -0.00 0.01 -0.05 0.02 0.07 -0.01 0.22 0.14 -0.19 -0.06 0.17 0.03 -0.02 -0.05 0.03 -0.03 0.00 0.50 -0.38 0.07 -0.29 -0.09 0.28 0.12 0.28 -0.40 -0.09 0.03 0.07 -0.09 -0.00 0.07 -0.07 -0.02 0.03 -0.02 0.00 -0.02 -0.03 0.05 -0.05 -0.06 0.06 -0.00 -0.11 0.04 0.11 0.05 -0.03 -0.02 -0.01 0.06 -0.10 -0.06 0.10 -0.02 0.06 -0.10 0.03 -0.00 -0.14 0.04 0.09 0.00 -0.04 0.10 -0.13 0.04 -0.00 -0.19 0.05 -0.07 -0.10 0.03 0.02 0.06 0.00 0.10 0.16 -0.10 0.02 -0.15 -0.22 0.27 0.35 -0.32 0.03 0.26 0.16 0.15 0.02 -0.04 0.31 -0.14 -0.05 0.05 -0.02 0.04 0.23 0.18 -0.17 -0.02 0.00 0.02 -0.02 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.01 0.04 0.02 -0.01 0.01 0.00 0.01 -0.02 -0.01 0.02 -0.00 0.02 -0.03 0.02 0.00 -0.03 -0.00 0.03 -0.01 0.03 0.03 -0.03 0.05 -0.00 -0.05 -0.01 -0.02 -0.02 -0.02 0.00 0.00 0.01 0.02 0.07 -0.02 -0.00 0.66 0.05 -0.23 -0.16 0.27 0.33 -0.05 -0.40 0.02 -0.00 0.01 -0.15 0.13 -0.02 0.14 -0.00 -0.11 0.00 -0.11 0.18 0.05 -0.02 0.21 0.01 0.00 -0.06 -0.02 0.01 -0.20 -0.03 -0.00 -0.23 -0.02 -0.01 -0.14 0.03 -0.02 0.16 0.09 -0.03 0.45 -0.02 0.01 -0.05 -0.03 -0.01 -0.18 0.06 -0.03 0.35 0.03 0.02 0.23 0.03 0.03 0.12 -0.02 -0.00 -0.02 0.07 0.03 0.48 0.05 0.04 0.26 -0.00 0.02 -0.14 -0.00 -0.01 -0.02 -0.04 -0.02 0.03 0.00 -0.09 0.06 -0.04 0.01 -0.00 -0.09 -0.00 0.09 -0.03 -0.00 -0.01 0.01 -0.02 0.01 -0.07 0.00 0.03 -0.04 0.00 -0.05 0.02 -0.00 0.10 0.03 0.00 0.18 0.00 0.00 0.04 -0.01 0.00 0.03 -0.04 0.00 -0.16 -0.03 0.00 -0.17 0.03 -0.00 0.17 0.01 0.00 0.16 -0.06 0.01 -0.31 -0.06 -0.00 -0.35 0.00 0.01 0.08 -0.04 0.01 -0.17 0.03 0.00 0.29 0.01 0.01 0.16 -0.08 0.01 -0.37 -0.03 0.00 -0.13 0.04 0.00 0.12 0.08 -0.13 0.01 0.02 -0.14 -0.05 0.19 -0.21 0.06 0.04 -0.17 -0.07 -0.03 0.11 -0.01 0.01 -0.00 -0.06 -0.07 0.24 0.07 -0.06 0.15 -0.16 0.04 -0.07 -0.02 0.04 -0.00 -0.01 0.03 -0.02 0.00 0.01 -0.05 0.01 0.01 -0.09 0.00 0.02 -0.10 -0.01 0.08 -0.09 -0.04 0.00 -0.05 -0.00 -0.01 -0.11 0.01 0.02 -0.12 -0.02 0.00 -0.05 -0.01 0.02 -0.04 0.00 0.00 -0.05 -0.01 -0.01 -0.04 -0.01 0.03 -0.02 0.00 0.03 -0.04 0.00 0.03 0.05 0.00 0.02 0.19 0.05 0.06 0.15 0.10 -0.10 0.32 -0.04 0.07 0.26 0.21 -0.18 0.19 -0.03 -0.13 0.15 -0.03 -0.28 0.42 0.13 -0.36 0.14 -0.27 -0.02 -0.01 -0.14 -0.01 0.04 -0.05 -0.08 0.04 -0.08 -0.06 0.05 -0.04 -0.04 0.01 0.13 -0.02 -0.02 0.01 -0.01 -0.01 -0.19 0.00 0.02 -0.07 -0.05 -0.02 0.32 -0.00 -0.05 0.10 0.02 -0.07 0.03 -0.01 -0.09 0.06 0.06 0.06 -0.12 0.07 -0.09 0.07 0.01 -0.13 0.15 -0.08 -0.05 -0.05 0.13 0.11 0.04 0.12 -0.16 0.04 0.16 -0.14 0.08 0.22 -0.37 0.21 -0.05 -0.27 -0.18 0.04 0.17 0.08 0.08 0.23 0.16 -0.03 0.20 0.15 -0.05 0.10 0.03 -0.03 0.03 -0.08 -0.01 -0.03 0.05 0.03 -0.04 -0.05 0.02 -0.04 -0.04 0.05 0.00 0.09 -0.01 0.03 -0.02 -0.06 0.04 -0.14 -0.04 -0.02 -0.08 0.12 0.03 0.23 -0.01 0.06 0.01 -0.02 0.03 0.05 0.01 0.05 0.03 -0.09 -0.05 -0.13 -0.03 0.05 0.12 0.01 0.08 0.08 0.03 0.02 -0.08 -0.10 -0.08 0.23 0.03 0.01 0.01 -0.25 0.06 -0.30 0.26 0.08 -0.11 0.29 0.04 0.00 -0.01 0.00 -0.03 -0.17 -0.28 -0.35 0.17 0.23 -0.13 0.11 0.18 -0.10 0.03 -0.08 -0.02 -0.00 0.07 -0.08 -0.01 0.07 -0.04 -0.04 0.05 -0.07 -0.05 -0.09 -0.06 0.00 -0.12 0.07 0.12 -0.13 -0.01 0.07 0.03 0.11 -0.13 -0.14 -0.04 0.02 -0.15 0.19 0.06 -0.02 -0.07 0.05 -0.02 -0.06 0.18 0.07 0.30 0.07 -0.02 -0.07 0.05 -0.06 -0.07 0.02 0.01 0.12 -0.13 0.08 0.13 -0.10 -0.01 -0.04 -0.36 0.02 -0.32 0.20 -0.06 -0.07 0.00 -0.05 -0.18 0.04 0.05 0.05 -0.02 -0.14 -0.15 0.19 0.01 -0.11 0.26 0.24 0.14 -0.06 0.10 -0.03 -0.04 -0.05 -0.12 0.01 -0.10 -0.14 0.01 -0.10 -0.13 0.05 0.07 -0.06 -0.01 0.13 0.07 -0.12 0.14 0.10 -0.05 -0.08 0.20 0.19 0.15 0.01 0.02 0.17 0.27 -0.12 -0.00 -0.11 -0.06 0.02 -0.03 -0.08 -0.14 0.57 -0.16 0.02 -0.10 -0.04 0.10 0.03 0.08 -0.04 0.17 0.07 -0.03 0.03 0.11 -0.02 0.05 0.14 -0.03 0.07 0.11 -0.04 0.06 0.09 -0.03 0.04 -0.00 0.05 0.00 -0.03 0.05 -0.01 -0.03 0.20 0.07 -0.11 -0.01 -0.11 -0.06 0.04 0.03 -0.04 0.07 0.04 0.13 -0.06 0.01 0.06 -0.15 0.03 0.06 -0.08 0.01 -0.09 0.01 -0.02 -0.00 0.01 0.01 -0.08 -0.12 -0.03 0.18 0.00 -0.03 -0.10 0.07 -0.08 -0.08 -0.02 0.04 0.05 0.03 0.01 -0.18 -0.18 -0.11 -0.17 0.03 0.05 0.05 0.16 0.00 0.15 -0.03 -0.07 -0.06 0.19 -0.04 -0.14 0.00 -0.08 -0.11 -0.06 -0.06 0.00 -0.17 0.05 -0.35 -0.09 -0.25 0.10 0.14 0.08 0.21 0.26 0.25 0.04 -0.15 0.05 0.19 0.14 0.25 -0.03 0.01 -0.16 0.01 -0.00 0.08 0.03 -0.01 0.19 -0.02 -0.01 -0.15 -0.00 0.00 -0.07 0.02 0.01 0.16 -0.07 0.02 -0.46 -0.02 -0.01 -0.07 0.01 0.01 -0.04 0.06 0.01 0.39 0.02 0.00 0.16 -0.04 0.00 -0.16 -0.02 -0.01 -0.06 0.05 0.00 0.36 -0.10 0.01 -0.51 0.01 -0.00 0.07 0.01 0.00 -0.03 0.00 0.01 -0.00 0.06 -0.01 0.06 -0.05 0.01 0.01 -0.04 0.01 0.02 -0.00 -0.01 -0.00 0.02 0.05 0.05 -0.03 -0.05 0.01 -0.03 -0.04 0.01 0.24 0.16 -0.03 0.18 0.09 -0.16 0.06 0.05 0.07 -0.07 0.01 0.15 -0.09 0.13 -0.08 0.11 0.07 0.06 0.25 0.16 -0.05 -0.16 -0.04 -0.00 -0.12 0.13 -0.33 0.12 -0.15 0.04 -0.16 -0.19 0.05 -0.05 -0.12 0.02 -0.13 0.00 -0.22 -0.15 -0.21 -0.07 -0.07 -0.00 -0.05 0.01 -0.13 -0.05 -0.02 -0.00 0.04 -0.03 -0.00 0.01 -0.21 0.07 -0.18 0.10 0.04 -0.06 0.13 0.01 -0.02 -0.01 -0.01 0.02 -0.07 -0.18 -0.15 0.11 0.03 -0.08 0.12 0.12 0.03 -0.03 -0.15 -0.01 -0.07 -0.08 -0.07 -0.07 -0.08 0.05 0.20 0.05 0.04 0.31 -0.04 -0.11 0.27 -0.01 0.01 -0.13 -0.10 0.02 -0.05 0.20 0.00 0.23 -0.07 -0.23 0.26 0.22 0.03 -0.09 0.10 0.02 -0.27 -0.04 0.06 -0.20 0.11 -0.08 0.11 -0.03 -0.09 -0.27 -0.03 0.04 -0.14 -0.11 -0.01 -0.03 0.06 0.03 -0.07 0.01 -0.02 -0.17 0.00 -0.13 0.08 -0.05 -0.00 -0.08 -0.03 -0.12 0.03 0.10 0.04 0.05 0.08 0.05 0.04 0.07 0.03 0.07 0.13 0.07 -0.13 -0.03 -0.03 -0.11 -0.04 -0.22 0.01 -0.03 0.10 0.04 -0.05 0.22 -0.05 -0.03 -0.16 -0.09 0.00 0.17 -0.14 -0.02 -0.04 0.06 -0.05 -0.02 -0.07 0.01 -0.55 -0.08 0.07 0.23 0.08 0.06 -0.00 0.08 0.06 0.03 -0.01 -0.07 -0.35 -0.03 0.11 -0.23 0.06 0.01 -0.05 -0.01 0.08 -0.09 0.02 -0.01 0.05 0.10 -0.03 0.05 0.07 -0.03 0.02 0.17 -0.09 0.08 0.08 -0.06 -0.01 -0.01 0.02 0.02 -0.08 -0.07 -0.11 0.05 0.20 0.02 -0.03 0.05 -0.08 -0.06 0.01 -0.08 -0.01 0.08 0.16 0.07 0.05 -0.02 0.03 0.07 -0.01 0.01 -0.07 -0.07 -0.06 -0.04 0.10 -0.01 -0.03 -0.34 -0.04 0.14 0.08 -0.01 -0.07 -0.15 -0.06 0.03 0.13 -0.07 -0.02 -0.09 0.01 -0.04 0.10 0.02 0.17 0.19 0.03 -0.08 -0.14 0.06 0.08 0.34 0.08 -0.10 -0.13 -0.02 0.02 -0.01 0.08 0.01 -0.03 0.37 -0.05 0.29 -0.17 -0.04 0.09 -0.15 0.01 0.05 -0.05 -0.07 0.00 -0.12 -0.25 -0.19 0.07 -0.07 -0.11 0.09 0.08 0.01 0.05 0.01 -0.11 0.06 -0.06 0.16 -0.05 -0.03 0.01 -0.03 -0.05 -0.01 -0.03 0.06 -0.07 0.09 0.02 0.08 -0.04 0.05 -0.34 0.05 -0.12 0.08 -0.04 0.06 -0.14 0.10 -0.06 0.14 0.02 0.02 -0.12 0.02 0.03 0.11 0.04 -0.14 0.20 -0.07 0.07 -0.13 0.07 -0.07 0.37 -0.11 0.08 -0.10 0.01 -0.03 -0.00 -0.10 -0.00 0.00 -0.29 0.05 -0.21 0.02 0.08 -0.11 0.10 0.02 -0.01 0.05 0.05 -0.03 0.16 0.32 0.26 -0.12 -0.07 0.10 -0.09 -0.13 0.03 -0.05 -0.00 0.00 -0.02 0.02 -0.01 0.04 0.02 -0.01 0.01 0.05 0.01 -0.01 -0.03 -0.00 -0.06 -0.01 0.01 -0.03 -0.01 0.02 -0.03 0.11 0.00 -0.02 -0.03 0.00 -0.06 0.02 0.03 -0.02 -0.01 0.01 0.01 -0.02 -0.00 0.01 0.14 -0.03 0.04 -0.05 -0.03 0.01 0.07 -0.03 0.09 -0.06 -0.01 0.02 -0.04 0.00 -0.02 -0.03 0.09 -0.38 0.08 -0.31 0.24 0.08 -0.09 0.35 -0.00 0.04 0.04 -0.01 -0.08 0.16 0.36 0.29 -0.20 -0.09 0.12 -0.24 -0.31 -0.06 -0.00 -0.00 -0.03 0.00 -0.01 0.02 0.01 -0.01 0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.07 -0.00 0.00 -0.06 0.03 -0.01 0.30 0.01 0.01 0.06 0.05 -0.01 0.51 0.09 -0.03 0.51 0.00 -0.00 0.03 0.01 0.00 0.04 -0.05 0.02 -0.33 -0.08 -0.00 -0.44 -0.03 0.01 -0.19 0.01 -0.00 -0.02 -0.00 -0.01 0.01 -0.01 0.00 -0.02 0.04 -0.01 0.03 -0.07 0.01 -0.01 -0.04 0.01 0.01 0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.02 0.01 0.01 0.00 0.00 0.02 0.06 0.01 0.00 0.17 0.00 -0.02 0.08 0.03 0.05 -0.06 -0.04 0.13 -0.12 -0.03 -0.03 -0.01 -0.02 0.17 -0.01 0.01 0.02 -0.11 0.02 0.25 -0.07 0.11 -0.01 0.10 0.10 -0.01 -0.03 0.00 -0.04 -0.02 0.02 -0.06 -0.15 -0.05 -0.08 0.00 -0.11 -0.05 -0.12 -0.03 -0.12 0.07 0.01 -0.03 0.13 -0.02 0.11 0.01 0.13 -0.07 -0.01 -0.08 0.44 -0.08 0.13 0.20 -0.04 -0.02 -0.11 -0.10 -0.11 0.04 -0.07 0.02 -0.16 -0.51 -0.19 0.02 -0.08 0.08 0.00 0.01 0.02 -0.01 -0.01 -0.09 0.04 -0.01 0.22 -0.00 -0.00 -0.05 -0.01 -0.00 -0.01 -0.03 0.00 -0.07 0.04 0.00 0.26 -0.00 0.01 -0.03 0.05 -0.00 0.30 0.02 -0.01 0.30 -0.01 0.01 -0.11 -0.00 -0.00 0.03 0.07 0.00 0.45 0.11 0.00 0.52 0.05 -0.00 0.31 -0.01 -0.01 -0.08 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.06 -0.01 -0.05 0.09 -0.04 0.03 -0.05 -0.02 -0.07 0.01 -0.02 0.02 -0.06 -0.05 -0.06 0.04 0.14 0.04 -0.05 -0.02 -0.08 -0.12 -0.21 -0.00 -0.11 -0.01 0.03 -0.02 0.08 0.01 -0.06 0.08 0.03 0.03 0.12 -0.01 0.25 0.03 -0.04 -0.28 -0.12 0.10 -0.11 -0.05 0.00 -0.13 0.01 0.04 0.25 0.20 0.04 -0.12 -0.19 0.01 0.22 0.02 -0.05 0.05 0.04 0.05 -0.31 -0.06 0.17 0.23 0.13 0.02 0.07 0.09 -0.01 -0.02 0.07 0.02 0.03 0.06 0.04 0.00 -0.09 -0.02 0.29 -0.16 0.17 -0.17 -0.06 -0.17 -0.03 -0.06 -0.04 -0.03 -0.03 -0.01 -0.07 -0.08 -0.01 -0.10 -0.12 -0.07 0.02 0.02 0.02 0.01 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.06 0.00 -0.01 0.02 -0.02 -0.00 0.02 0.01 0.01 -0.15 0.01 0.00 0.03 0.00 0.00 -0.06 -0.04 -0.01 -0.17 0.01 0.01 0.01 -0.01 -0.00 0.03 -0.02 -0.01 -0.11 -0.02 0.00 -0.25 -0.04 -0.01 -0.11 -0.01 -0.01 -0.01 0.06 0.04 -0.01 -0.05 0.08 0.01 -0.13 -0.09 -0.11 0.28 -0.18 0.17 -0.34 -0.08 -0.31 0.04 -0.10 0.03 -0.18 -0.09 -0.13 0.05 0.36 0.14 -0.26 -0.23 -0.30 0.02 0.04 -0.09 0.03 0.02 0.10 -0.02 0.00 -0.16 0.05 -0.01 0.21 -0.01 -0.03 -0.09 -0.02 -0.01 -0.01 0.10 0.01 0.26 -0.01 -0.00 -0.09 0.04 -0.02 0.14 0.05 -0.05 0.46 0.01 0.01 -0.00 -0.04 -0.00 -0.09 0.01 -0.02 0.10 0.12 -0.00 0.49 0.02 -0.03 0.25 -0.01 -0.00 0.08 0.01 0.01 0.03 -0.02 0.05 -0.01 0.00 -0.07 -0.00 0.09 -0.10 0.10 -0.24 -0.03 -0.16 0.03 -0.06 -0.02 -0.06 0.02 -0.01 -0.03 0.12 0.08 -0.16 -0.18 -0.15 -0.03 0.02 0.01 0.00 0.07 0.01 -0.02 0.10 -0.00 0.03 0.02 -0.00 0.13 -0.10 -0.03 -0.05 0.01 0.01 0.02 -0.01 -0.03 -0.04 -0.01 0.01 0.22 -0.06 -0.01 -0.06 0.22 0.04 -0.06 -0.12 0.01 0.07 -0.02 -0.01 0.02 0.02 -0.01 -0.12 -0.09 0.02 0.07 -0.06 -0.01 -0.07 0.10 0.02 0.07 -0.07 -0.03 -0.07 -0.09 -0.05 -0.07 0.13 -0.01 -0.40 0.21 -0.25 0.23 0.05 0.20 0.08 -0.01 0.09 -0.12 -0.03 -0.09 0.15 0.47 0.17 -0.11 -0.06 -0.19 0.04 0.06 -0.03 -0.01 0.01 -0.07 0.01 0.03 0.04 0.00 0.01 -0.04 0.03 -0.05 0.04 0.01 -0.01 0.01 0.08 0.05 0.19 -0.01 0.01 0.01 -0.01 -0.06 -0.21 -0.01 -0.03 -0.09 -0.01 -0.04 -0.00 0.01 -0.01 0.02 0.03 0.03 0.04 -0.01 -0.05 -0.03 -0.00 -0.03 -0.07 -0.04 0.04 -0.01 -0.16 -0.07 0.20 0.05 0.05 -0.10 0.35 -0.12 0.24 -0.18 -0.11 0.12 -0.32 0.03 -0.01 0.08 0.01 -0.10 0.12 0.37 0.23 -0.19 -0.02 0.15 -0.20 -0.32 -0.04 -0.02 0.00 -0.13 0.01 0.00 0.05 -0.00 0.00 0.01 -0.01 -0.00 -0.03 0.01 -0.00 0.09 -0.00 -0.00 0.00 0.09 -0.02 0.75 0.00 -0.00 -0.01 -0.09 0.01 -0.55 0.01 -0.00 0.08 0.00 0.01 0.01 0.00 -0.00 0.03 0.02 -0.01 0.12 -0.02 0.01 -0.10 -0.03 0.00 -0.16 0.00 -0.00 -0.01 0.04 0.02 -0.03 -0.02 -0.01 0.01 -0.06 0.02 -0.04 0.01 0.03 -0.03 0.05 -0.00 0.00 -0.02 -0.01 0.01 -0.02 -0.08 -0.05 0.03 -0.01 -0.03 0.03 0.04 0.00 -0.00 0.01 -0.02 0.01 -0.02 -0.01 0.01 -0.01 0.04 -0.01 0.00 -0.05 0.01 -0.01 0.03 -0.01 0.00 0.00 0.01 0.01 0.14 0.01 0.01 0.09 -0.00 0.00 -0.12 -0.02 0.00 -0.03 0.00 -0.01 0.02 -0.02 0.00 -0.15 -0.08 0.03 -0.52 0.00 -0.02 -0.02 0.15 -0.01 0.79 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.03 -0.01 0.01 -0.02 -0.01 -0.02 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 -0.02 -0.02 0.02 0.03 0.02 -0.04 -0.08 0.01 -0.07 0.20 -0.00 0.01 0.08 0.02 -0.03 -0.01 -0.01 -0.05 0.07 0.02 0.11 -0.02 -0.03 0.04 -0.12 -0.02 0.07 -0.16 0.01 -0.18 -0.01 -0.03 0.12 -0.01 0.03 0.03 0.12 -0.00 -0.11 0.01 -0.01 -0.11 -0.26 -0.09 -0.05 0.18 0.01 -0.08 0.06 0.18 0.07 -0.13 -0.01 -0.05 0.09 0.04 0.02 -0.09 -0.03 0.10 0.12 0.09 -0.28 0.14 -0.17 0.25 0.05 0.25 0.07 -0.08 -0.00 -0.12 0.04 -0.05 -0.01 0.24 0.15 -0.24 -0.27 -0.24 0.01 -0.00 0.06 0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.06 -0.02 0.01 -0.10 -0.04 0.00 -0.33 -0.01 0.00 -0.06 -0.05 0.01 -0.36 0.08 -0.00 0.56 0.01 -0.00 0.08 -0.01 0.00 -0.04 0.06 0.00 0.38 -0.07 -0.00 -0.44 0.04 -0.00 0.23 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.00 -0.01 0.01 -0.00 0.07 -0.02 0.00 -0.08 -0.03 0.00 -0.25 0.01 0.00 0.08 -0.05 0.01 -0.37 0.06 -0.00 0.45 -0.02 -0.00 -0.09 0.01 0.00 0.05 -0.08 0.01 -0.48 0.09 -0.01 0.48 -0.05 0.00 -0.29 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.15 0.01 -0.03 0.01 0.00 -0.11 -0.05 0.02 -0.06 -0.04 0.01 0.03 -0.07 -0.01 0.09 -0.04 -0.02 -0.16 0.25 -0.00 -0.08 0.08 0.02 -0.08 -0.15 0.00 0.11 -0.20 0.01 -0.00 0.18 0.00 0.21 -0.12 -0.04 -0.33 -0.06 0.04 -0.33 0.41 0.06 0.22 -0.46 -0.04 -0.00 -0.06 0.00 -0.02 0.02 -0.02 0.01 -0.01 0.01 0.01 0.02 0.01 0.01 0.01 -0.01 0.06 0.00 0.03 0.01 -0.01 0.01 -0.03 -0.01 -0.02 0.01 0.05 0.02 -0.01 -0.00 -0.03 -0.03 0.17 0.01 -0.08 -0.01 0.02 0.01 -0.06 -0.00 -0.03 0.00 0.01 -0.01 -0.09 0.00 0.12 -0.05 -0.02 -0.32 0.35 0.04 0.05 -0.00 -0.01 -0.33 -0.31 0.04 0.15 -0.28 -0.01 -0.00 -0.09 -0.00 -0.07 0.07 0.01 0.31 0.15 -0.05 0.17 -0.20 -0.03 -0.07 0.29 0.01 0.03 0.05 -0.00 -0.07 0.02 -0.08 0.02 -0.02 0.03 0.03 0.01 0.03 0.11 -0.01 0.00 0.16 -0.00 0.05 0.02 -0.01 0.03 -0.05 0.01 -0.02 0.05 0.15 0.05 0.01 0.03 -0.06 0.03 -0.04 -0.00 -0.03 -0.01 0.01 0.04 -0.11 -0.01 0.05 -0.08 -0.01 -0.04 0.09 0.01 -0.02 -0.02 0.00 0.12 -0.09 -0.02 -0.07 0.11 0.01 0.24 0.27 -0.03 0.00 -0.45 -0.01 0.02 -0.04 -0.00 0.05 -0.01 -0.01 -0.25 0.01 0.04 0.41 -0.28 -0.07 0.05 -0.11 -0.01 -0.04 0.09 0.01 -0.09 0.18 -0.01 0.02 -0.06 0.00 0.07 0.10 0.08 -0.02 0.05 -0.08 0.22 0.03 0.17 0.03 -0.05 0.01 -0.12 -0.01 -0.07 -0.02 0.06 0.07 -0.14 -0.14 -0.16 -0.03 0.05 0.02 0.01 -0.01 -0.04 -0.05 -0.06 0.02 -0.04 -0.02 0.01 0.02 -0.01 -0.01 0.01 -0.03 -0.00 -0.15 0.12 -0.06 0.04 0.02 -0.01 0.07 0.02 -0.01 0.02 -0.15 0.00 -0.03 -0.01 0.01 -0.01 0.01 0.00 0.30 0.18 -0.04 -0.08 0.01 0.01 -0.00 0.12 0.01 0.03 0.02 -0.01 0.22 0.15 0.20 -0.05 -0.04 -0.06 -0.13 0.14 -0.10 -0.42 0.17 -0.18 -0.20 0.00 0.04 -0.05 -0.03 -0.06 -0.01 -0.17 -0.12 -0.12 -0.43 -0.12 -0.14 -0.19 -0.01 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.05 -0.03 0.01 -0.02 -0.01 0.00 0.04 0.05 -0.00 -0.03 -0.04 0.00 0.11 -0.07 -0.00 0.07 0.01 -0.01 0.38 0.27 -0.06 -0.02 -0.29 0.00 -0.06 0.00 0.01 -0.01 -0.01 0.00 0.51 0.28 -0.09 -0.45 0.24 0.08 -0.01 0.04 0.00 0.02 -0.01 -0.00 -0.07 -0.00 -0.04 0.01 0.00 0.01 0.05 -0.02 0.04 0.09 -0.03 0.03 0.08 0.01 0.02 0.02 -0.00 0.01 -0.02 0.04 0.02 0.02 0.10 0.04 0.01 0.01 -0.03 0.05 -0.01 -0.01 0.02 -0.06 0.00 0.03 -0.09 -0.01 0.01 0.01 -0.00 -0.02 -0.03 0.00 -0.02 0.06 0.00 0.27 -0.12 -0.03 -0.00 0.02 0.00 -0.40 -0.27 0.06 -0.05 0.60 0.02 -0.01 -0.01 0.00 0.01 0.02 -0.00 0.24 0.17 -0.04 -0.28 0.16 0.05 0.01 -0.10 -0.01 -0.03 -0.01 0.01 -0.06 0.12 -0.00 0.00 -0.03 0.00 0.05 0.06 0.06 0.03 0.02 -0.04 0.12 0.02 0.10 0.02 -0.02 0.00 -0.07 -0.02 -0.06 -0.02 -0.01 0.03 -0.09 -0.08 -0.09 0.02 0.01 0.00 -0.08 -0.05 0.01 0.12 0.04 -0.02 0.20 0.12 -0.03 -0.04 0.02 0.01 -0.04 0.01 0.01 -0.12 0.08 0.01 -0.00 -0.04 -0.00 -0.24 -0.09 0.04 -0.01 -0.63 -0.02 -0.01 -0.05 0.00 0.00 0.03 0.00 -0.14 -0.13 0.03 -0.52 0.26 0.09 -0.01 -0.13 -0.00 -0.08 -0.03 0.02 0.04 0.02 0.01 -0.00 -0.01 0.00 -0.04 0.02 -0.03 -0.05 0.03 -0.03 -0.02 -0.01 -0.00 -0.01 0.01 0.00 0.00 -0.04 -0.03 -0.00 -0.06 -0.02 -0.02 -0.01 0.00 0.06 0.04 -0.01 -0.08 -0.04 0.01 -0.18 -0.03 0.03 0.04 0.07 -0.01 0.04 0.00 -0.01 -0.03 0.01 0.01 0.52 -0.20 -0.07 0.03 -0.01 -0.01 -0.04 -0.05 0.01 -0.02 -0.09 -0.00 -0.00 -0.03 0.00 0.06 0.04 -0.01 -0.29 -0.22 0.05 0.04 -0.06 -0.01 0.08 0.67 -0.01 0.02 -0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.02 -0.02 -0.00 -0.02 -0.00 -0.03 -0.02 -0.00 -0.05 0.03 0.01 -0.10 0.15 0.01 0.03 -0.10 -0.00 0.04 -0.08 -0.01 -0.01 0.07 0.00 0.05 -0.02 -0.01 0.61 -0.32 -0.08 0.00 0.04 -0.00 -0.35 -0.14 0.05 0.05 -0.07 -0.01 -0.03 -0.00 0.01 -0.01 -0.03 0.00 0.13 0.12 -0.02 -0.01 -0.02 0.00 -0.01 -0.25 0.01 -0.00 0.07 -0.00 0.07 -0.12 0.00 0.03 0.02 0.01 -0.13 -0.04 -0.16 -0.17 0.03 0.04 -0.20 -0.04 -0.09 -0.02 0.01 -0.00 0.10 0.02 0.09 0.05 0.08 -0.04 0.09 0.08 0.08 -0.02 0.01 0.00 -0.01 0.03 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 0.08 -0.05 -0.01 0.00 0.00 -0.00 -0.05 -0.02 0.01 0.01 -0.04 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.07 0.00 0.01 0.02 -0.00 0.02 -0.06 -0.00 -0.09 0.03 -0.03 0.22 -0.16 0.27 0.29 -0.09 -0.00 0.34 0.04 -0.07 0.05 0.11 0.03 -0.02 -0.35 -0.33 -0.11 -0.37 0.02 -0.31 -0.32 0.07 0.03 0.00 -0.01 -0.04 -0.02 0.01 0.03 0.02 -0.01 -0.03 0.01 0.00 -0.01 -0.03 0.00 0.02 0.01 -0.00 0.04 -0.00 0.01 -0.03 -0.01 0.01 0.18 0.08 -0.03 0.02 0.04 -0.00 0.03 0.01 -0.00 0.01 0.03 -0.00 0.09 0.07 -0.02 0.04 0.00 -0.01 0.00 -0.03 -0.00 -0.02 -0.03 0.00 -0.07 -0.02 -0.06 0.13 -0.01 0.05 -0.30 0.11 -0.37 -0.34 0.08 0.06 -0.41 -0.07 0.03 0.05 0.09 0.04 -0.07 -0.26 -0.29 -0.09 -0.26 0.05 -0.25 -0.23 0.00 -0.07 -0.03 0.01 0.19 0.03 -0.01 -0.10 -0.04 0.01 0.07 0.00 -0.01 0.04 0.10 -0.00 -0.07 -0.06 0.01 -0.32 0.10 0.05 0.14 0.04 -0.02 -0.47 -0.21 0.07 -0.09 0.01 0.02 -0.10 -0.03 0.02 -0.04 -0.12 0.01 -0.39 -0.30 0.06 -0.15 -0.01 0.03 -0.04 0.04 0.01 0.07 0.11 -0.01 -0.08 0.01 -0.03 0.07 -0.00 0.02 -0.13 0.06 -0.17 -0.14 -0.00 0.07 -0.19 -0.01 0.07 0.04 0.03 0.02 -0.08 -0.07 -0.13 -0.07 -0.09 0.07 -0.10 -0.10 -0.02 -0.13 0.08 0.02 0.07 -0.03 -0.01 0.09 -0.17 -0.01 -0.20 0.30 0.03 0.16 0.05 -0.02 -0.02 -0.13 -0.00 0.36 -0.19 -0.06 -0.04 -0.09 0.01 0.19 0.08 -0.04 -0.02 -0.03 0.00 0.08 -0.05 -0.01 -0.05 0.09 0.01 -0.32 -0.27 0.06 -0.03 0.00 0.01 -0.07 -0.56 0.01 0.03 0.01 -0.01 -0.01 0.03 0.00 0.00 -0.01 0.00 -0.00 0.04 0.00 0.02 0.01 -0.01 -0.02 0.00 0.03 0.00 -0.01 -0.00 -0.03 0.04 0.02 0.00 -0.00 -0.00 0.01 0.03 -0.04 -0.04 -0.01 0.01 0.07 0.14 -0.01 0.09 -0.14 -0.01 -0.02 -0.01 0.00 -0.02 0.03 0.00 0.01 -0.07 -0.00 -0.26 0.10 0.04 -0.02 0.05 0.00 0.08 0.10 -0.01 -0.00 0.21 0.01 0.09 -0.03 -0.02 0.06 0.01 -0.01 -0.11 0.01 0.02 -0.22 0.17 0.04 0.07 0.74 -0.01 -0.15 -0.05 0.03 0.01 -0.03 -0.00 0.00 0.02 -0.00 -0.02 -0.22 -0.06 -0.14 -0.04 0.09 0.12 0.00 -0.07 -0.00 0.01 -0.00 0.06 -0.06 -0.00 0.01 0.04 0.00 -0.02 -0.05 0.06 -0.01 -0.00 0.00 0.01 0.03 0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.03 0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 0.00 0.02 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.02 0.02 0.00 0.01 0.10 -0.00 -0.02 -0.01 0.00 0.00 -0.03 -0.00 -0.01 -0.05 -0.01 0.06 0.65 0.17 0.46 0.06 -0.21 -0.41 0.02 0.20 -0.00 0.01 -0.01 0.10 -0.09 -0.01 -0.01 0.08 0.03 -0.00 -0.08 0.14 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.01 0.01 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.05 0.00 0.01 0.00 -0.00 -0.01 0.03 -0.00 0.01 0.01 -0.02 -0.06 -0.05 -0.09 -0.07 -0.17 0.17 0.07 0.09 0.20 -0.05 0.01 -0.01 0.55 -0.31 0.17 0.32 0.31 -0.24 -0.21 -0.30 0.20 -0.05 -0.04 0.00 0.09 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.12 0.04 -0.02 -0.06 0.07 0.01 -0.04 -0.06 0.01 -0.09 -0.08 0.02 -0.36 -0.27 0.05 -0.04 -0.42 -0.00 -0.02 0.08 0.00 0.07 0.04 -0.01 0.38 0.20 -0.06 0.35 -0.14 -0.06 0.08 0.09 -0.01 -0.05 -0.07 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.06 0.01 -0.08 0.01 -0.22 0.19 0.01 0.12 0.25 0.01 -0.00 -0.00 -0.09 0.04 -0.05 -0.07 -0.03 0.07 0.04 0.03 -0.00 0.00 0.02 0.00 -0.03 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.03 -0.01 0.01 0.02 -0.01 -0.00 0.05 -0.00 -0.00 0.02 0.02 -0.00 0.10 0.07 -0.01 0.02 0.09 -0.00 0.01 -0.02 -0.00 -0.02 -0.01 0.00 -0.09 -0.04 0.02 -0.10 0.05 0.02 -0.02 0.01 0.01 0.01 0.02 -0.00 0.04 -0.02 -0.00 -0.01 0.01 -0.07 -0.12 0.11 -0.15 0.07 -0.45 0.37 0.01 0.26 0.57 0.01 -0.00 0.02 -0.17 0.13 -0.01 0.00 -0.19 -0.04 0.01 0.14 -0.22 0.01 0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 -0.00 0.04 0.03 -0.01 0.00 0.04 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.03 -0.02 0.00 -0.02 0.00 0.00 -0.01 -0.07 0.00 0.01 0.00 -0.00 0.02 0.02 -0.01 -0.00 0.01 -0.01 -0.05 -0.06 -0.07 -0.05 -0.11 0.11 0.07 0.06 0.11 0.01 -0.02 -0.06 -0.08 -0.14 -0.20 -0.42 0.29 0.43 0.26 -0.09 0.57 0.12 -0.02 -0.02 -0.03 0.13 0.00 -0.13 -0.12 0.02 0.15 0.09 -0.03 -0.07 0.03 0.01 -0.03 -0.12 0.00 -0.41 0.29 0.07 -0.03 -0.06 0.00 0.10 0.16 -0.01 -0.07 0.41 0.02 -0.08 -0.01 0.01 0.06 0.16 -0.01 0.16 0.04 -0.03 0.24 -0.21 -0.04 0.05 -0.48 -0.01 0.02 -0.06 -0.00 0.01 -0.04 0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.02 -0.03 0.02 -0.01 0.01 0.02 0.00 0.01 0.01 0.00 0.01 0.01 0.04 -0.05 -0.05 -0.03 0.01 -0.06 0.08 -0.13 -0.02 0.02 0.14 -0.00 -0.13 -0.08 0.02 -0.09 -0.09 0.01 0.06 -0.07 -0.01 -0.03 0.22 0.01 -0.24 0.04 0.04 -0.04 0.12 0.01 -0.11 -0.20 0.01 -0.00 -0.42 -0.01 0.20 -0.17 -0.04 -0.07 0.18 0.01 -0.27 0.00 0.05 -0.41 0.20 0.07 -0.10 -0.36 0.02 0.09 -0.03 -0.02 0.00 -0.04 -0.00 0.00 0.01 -0.00 0.01 0.00 0.01 0.02 -0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.02 0.00 0.02 -0.03 -0.02 -0.02 0.01 -0.04 0.32 -0.16 -0.05 -0.25 0.11 0.03 0.12 -0.20 -0.02 -0.15 0.20 0.03 0.10 -0.04 -0.02 -0.10 0.13 0.02 -0.45 0.28 0.07 0.02 -0.09 -0.00 -0.01 -0.11 -0.01 -0.11 -0.11 0.01 -0.06 0.12 0.01 -0.03 -0.30 0.00 0.04 -0.07 -0.01 0.12 0.02 -0.02 -0.00 0.37 0.01 0.05 0.18 -0.01 0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.01 0.02 0.00 -0.13 -0.05 0.02 0.14 0.08 -0.02 0.03 -0.15 -0.01 0.00 0.13 0.00 -0.20 -0.26 0.03 0.11 0.29 -0.01 0.16 -0.23 -0.03 0.22 0.01 -0.04 0.41 0.09 -0.06 0.18 -0.33 -0.04 -0.24 0.05 0.04 0.09 0.04 -0.02 -0.12 -0.23 0.02 0.19 -0.24 -0.03 0.09 -0.12 -0.02 -0.07 -0.04 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.13 -0.02 -0.02 -0.14 -0.04 0.02 0.17 0.09 -0.03 -0.25 -0.16 0.04 0.18 0.12 -0.03 -0.08 -0.07 0.01 -0.14 0.14 0.02 0.32 0.15 -0.06 -0.25 -0.15 0.04 -0.10 0.06 0.02 -0.23 -0.03 0.04 0.10 0.21 -0.02 -0.35 -0.28 0.06 0.06 -0.25 -0.01 0.09 -0.28 -0.02 -0.15 -0.16 0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 0.04 -0.00 -0.02 -0.02 -0.00 0.04 -0.02 0.03 0.05 -0.01 -0.41 -0.43 0.59 -0.23 0.10 -0.27 0.28 -0.23 -0.14 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 0.01 -0.00 0.53 0.08 -0.50 0.05 0.27 0.27 0.04 -0.51 0.21 0.00 0.00 -0.00 -0.03 -0.04 0.05 -0.02 0.01 -0.02 0.02 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.03 -0.17 -0.02 0.16 0.02 0.06 0.06 0.03 -0.24 0.09 -0.03 0.01 0.07 0.23 0.26 -0.32 -0.29 0.10 -0.30 0.47 -0.43 -0.23 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.04 0.07 0.46 0.06 -0.40 -0.05 -0.17 -0.15 -0.07 0.61 -0.24 -0.01 0.00 0.03 0.09 0.10 -0.13 -0.12 0.04 -0.12 0.18 -0.16 -0.09 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.02 0.07 0.08 -0.00 0.05 -0.02 -0.07 0.05 -0.04 -0.06 -0.03 0.05 0.52 -0.18 0.58 0.39 -0.35 -0.22 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.05 -0.10 -0.03 0.08 0.16 0.60 0.63 -0.04 0.39 -0.17 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.07 0.02 -0.07 -0.04 0.04 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.08 0.00 0.02 -0.02 0.03 0.00 -0.08 -0.13 0.01 0.97 -0.02 -0.18 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 0.03 0.00 -0.01 0.41 0.74 -0.04 0.00 -0.00 -0.00 0.16 -0.27 -0.03 -0.41 -0.03 0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.02 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.06 -0.01 -0.02 0.00 0.00 0.21 0.38 -0.02 -0.01 0.02 0.00 -0.43 0.69 0.08 0.25 0.01 -0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.15 -0.24 -0.03 0.04 0.07 -0.01 0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 -0.00 -0.01 0.00 0.00 0.06 0.10 -0.00 0.04 -0.07 -0.01 -0.13 0.21 0.02 0.10 0.00 -0.02 0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.46 0.78 0.08 -0.14 -0.24 0.02 -0.07 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.03 0.00 -0.08 -0.01 0.01 0.12 0.24 -0.01 -0.00 0.00 0.00 0.21 -0.35 -0.04 0.85 0.05 -0.13 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 -0.02 -0.00 -0.01 0.02 0.00 -0.02 -0.00 0.00 -0.05 -0.07 0.01 -0.01 0.00 0.00 -0.15 0.25 0.03 0.49 0.80 -0.08 0.13 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 6 1 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 6 6 6 6 6 6 1 6 1 1 6 6 1 1 1 7 5 6 1 1 1 6 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 14.00307 11.00931 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 169.10628 1439.07364 2545.38300 3792.66463 0.09289 0.99277 0.07598 0.99549 -0.09409 0.01232 -0.01938 -0.07449 0.99703 asymmetric 1 0.06019 0.03403 0.02284 1.25410 0.70903 0.47585 534914.0 58.29 117.64 127.00 194.22 213.75 255.34 270.65 388.85 454.38 523.13 621.16 639.56 649.96 696.57 780.94 797.22 826.38 946.09 954.70 996.27 1123.12 1162.05 1184.29 1197.75 1214.47 1231.22 1268.29 1313.55 1376.77 1420.83 1432.82 1456.48 1470.52 1519.48 1567.68 1641.68 1652.26 1674.90 1739.64 1777.70 1841.41 1855.98 1905.95 1920.09 1945.41 2025.19 2053.81 2069.68 2085.80 2102.61 2111.69 2124.27 2180.21 2233.89 2361.18 2395.38 2427.52 4333.33 4349.07 4436.09 4442.15 4496.19 4504.80 4547.54 4571.47 4582.69 4585.22 4614.98 4629.59 0.203738 0.215618 0.216562 0.165447 -505.772161 -505.760281 -505.759337 -505.810452 135.302 45.683 107.581 0.000 0.000 0.000 0.889 2.981 41.284 0.889 2.981 31.008 133.525 39.721 35.289 1 0.594 1.981 5.234 2 0.600 1.962 3.848 3 0.601 1.957 3.698 4 0.613 1.918 2.874 5 0.618 1.904 2.691 6 0.628 1.870 2.355 7 0.633 1.856 2.246 8 0.674 1.728 1.595 9 0.703 1.643 1.332 10 0.737 1.547 1.107 11 0.793 1.401 0.853 12 0.804 1.373 0.813 13 0.810 1.357 0.791 14 0.840 1.285 0.699 15 0.898 1.156 0.559 16 0.910 1.131 0.536 17 0.931 1.087 0.496 0.794045e-76 -76.100155 -175.227082 0.409955e+18 17.612736 40.554824 0.688519e-90 -90.162084 -207.605871 1 0.510723e+01 0.708186 1.630658 2 0.251805e+01 0.401064 0.923483 3 0.232990e+01 0.367338 0.845827 4 0.150831e+01 0.178492 0.410993 5 0.136545e+01 0.135277 0.311486 6 0.113273e+01 0.054127 0.124633 7 0.106468e+01 0.027220 0.062677 8 0.714995e+00 -0.145697 -0.335480 9 0.596728e+00 -0.224224 -0.516294 10 0.502903e+00 -0.298515 -0.687357 11 0.403036e+00 -0.394656 -0.908730 12 0.387499e+00 -0.411730 -0.948043 13 0.379070e+00 -0.421280 -0.970034 14 0.344223e+00 -0.463160 -1.066465 15 0.291128e+00 -0.535916 -1.233991 16 0.282108e+00 -0.549585 -1.265466 17 0.266801e+00 -0.573813 -1.321253 0.355473e+04 3.550807 8.176035 1 0.563165e+01 0.750636 1.728402 2 0.306721e+01 0.486743 1.120768 3 0.288295e+01 0.459837 1.058814 4 0.208903e+01 0.319945 0.736699 5 0.195412e+01 0.290951 0.669939 6 0.173818e+01 0.240094 0.552837 7 0.167624e+01 0.224337 0.516556 8 0.137248e+01 0.137505 0.316618 9 0.127851e+01 0.106705 0.245698 10 0.120916e+01 0.082485 0.189928 11 0.114221e+01 0.057747 0.132968 12 0.113258e+01 0.054068 0.124497 13 0.112745e+01 0.052098 0.119959 14 0.110703e+01 0.044161 0.101684 15 0.107858e+01 0.032853 0.075646 16 0.107409e+01 0.031043 0.071478 17 0.106673e+01 0.028054 0.064598 0.100000e+01 0.000000 0.000000 0.864358e+08 7.936693 18.274912 0.133425e+07 6.125236 14.103877 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.2739 2.1238 0.2070 2.4852 -65.6141 -62.6472 -81.5060 -2.8885 -2.8836 -0.5562 4.3083 7.2752 -11.5835 -2.8885 -2.8836 -0.5562 437.9393 -146.0344 4.9248 142.4476 -49.9346 13.0109 180.1377 -80.8836 2.0206 -1.6934 -2944.0847 -2153.6848 -190.4436 340.7908 -45.6572 309.3316 0.1860 27.7258 19.8995 -851.9667 -634.3087 -475.6217 13.9041 -19.6863 168.3932 0 -505.9758986 3.125E-9 3.823E-6 0.203738 0.2156179 -505.7602807 -505.7593365 -505.8104518 3.2031307,5.4089475,-8.6120782,-2.1475299,-2.1439215,-0.4135036 C01 [X(C11H12B1N1)] -0.5012087 0.835569 0.0814399 -0.0476795 -0.120419 -0.0013578 0.064739 0.1744012 0.0267667 0.0450255 -0.0563204 -0.1421385 -0.3447495 0.2986602 -0.0274319 0.1382579 -0.5659489 -0.0190074 -0.0152162 -0.0968114 -0.1972474 0.1858155 0.1243853 -0.0151326 0.2683896 0.3065838 -0.0650447 -0.0759462 0.0669912 0.1248478 -0.1103345 0.1334151 0.0208304 -0.1244245 -0.376022 0.0201245 0.0272779 -0.0043062 0.0387266 0.1328208 0.0506199 -0.044907 -0.0069086 0.0776564 0.0092477 -0.0496359 -0.0121776 -0.1491775 0.1033303 -0.0954154 -0.0436482 -0.1277145 -0.2380383 0.0141483 -0.0481686 0.0308283 -0.1386963 0.0475336 -0.0919189 0.0015222 -0.1047919 -0.0735471 0.0122844 0.0047949 0.0085803 0.1295151 0.3617511 0.0239925 -0.0808453 0.1122133 0.2873565 -0.0177893 -0.0680838 -0.000526 -0.1028007 0.028996 0.0451016 0.0209111 0.1097295 -0.0637501 -0.0211173 0.0228686 -0.0157068 0.1474206 -0.1225362 0.0017643 0.0411968 -0.0068156 0.0750004 0.0014111 0.0427795 0.0026537 0.1509949 -0.4913427 0.0337364 0.0583451 0.2621185 -0.0027009 -0.0413868 0.0604545 -0.0181822 -0.1561717 0.4609216 -0.0335252 -0.0887279 -0.3484288 0.3680246 0.0588171 -0.0903131 0.0088195 0.0246155 0.0387618 0.1069622 0.0174776 0.0511196 -0.0428439 -0.0092743 0.0155909 -0.017115 0.1376474 0.0392897 -0.0867147 0.021048 -0.0917202 -0.051262 0.0160286 0.0235008 0.0149691 0.158481 -0.1449049 -0.0465541 0.0473399 -0.0016332 0.0676573 -0.0006912 0.0452752 0.0127101 0.1046108 -0.4328514 -0.0718018 0.0310961 -0.0036884 -0.6492498 0.0169625 0.0403358 0.0210324 -0.314952 0.9752111 -0.3223654 0.2662076 -0.2083656 1.5381422 0.1435813 0.2431616 0.1832431 0.5387248 -0.6667211 0.2055237 -0.201322 0.0746142 -0.1540029 0.0039939 -0.0590809 -0.0795982 -0.1594955 0.0009915 0.0141901 0.0874199 -0.0168156 0.0959596 0.0083943 0.0484803 0.032047 -0.0130288 0.0816323 -0.0566236 -0.0285613 -0.0384186 -0.009863 -0.1176816 -0.050211 -0.1218637 -0.0468894 0.1032709 0.0293901 -0.0036336 0.0538108 -0.1893977 0.0894863 -0.0532988 0.1135415 0.0353445 -0.1852233 -0.2555735 -0.082792 -0.1802198 -0.6790452 -0.1910761 -0.0931358 -0.0302071 -0.1332927 0.0440103 -0.0672918 0.0656225 -0.0195557 0.0328856 0.0673936 0.0655399 0.040562 -0.031404 -0.041841 0.0395686 -0.1173826 0.0389006 0.0944508 0.0409246 -0.1194742 0.0164176 -0.0506758 -0.0161526 0.1408932 0.0567252 0.1056082 -0.0224467 -0.0464962 0.0374793 -0.0995812 0.0450412 204.4704134|14.3345653|210.184047|-11.9013543|-1.4774783|100.4209922 0.000005017 -0.000000483 -0.000000786 -0.000005038 0.000006228 0.000001756 0.000001636 0.000001139 0.000001067 0.000000485 -0.000001458 -0.000001020 -0.000001556 -0.000005967 -0.000000312 0.000004499 0.000002757 0.000000863 0.000002699 -0.000000982 -0.000000508 0.000003131 -0.000002492 -0.000002572 0.000000379 -0.000003779 -0.000001342 0.000002919 -0.000001099 0.000000321 -0.000007760 -0.000002459 -0.000000891 -0.000006355 -0.000005161 -0.000001058 -0.000000074 -0.000002776 -0.000002366 -0.000003366 -0.000001945 -0.000002393 -0.000004369 0.000000685 -0.000001205 0.000004989 0.000011335 -0.000004353 0.000005344 -0.000003213 -0.000002384 -0.000009601 0.000004156 0.000012622 -0.000006762 0.000002112 -0.000003075 0.000002783 -0.000003194 -0.000001662 0.000003505 0.000002289 -0.000001071 0.000004929 0.000003269 -0.000001452 0.000002460 0.000001586 0.000003206 0.000001037 -0.000000226 0.000004489 -0.000000933 -0.000000321 0.000004125 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0036,.0569,.1848;-2.6354,.066,.0022;-1.9863,1.3383,-.0895;-2.7415,2.5345,.0399;-4.1386,2.4595,.2661;-4.7574,1.2428,.3349;-4.5281,-.8929,.2317;-2.059,3.7686,-.0745;-4.7048,3.3796,.371;-5.8275,1.1815,.4977;-.7133,3.7707,-.3104;-.0524,2.5284,-.4372;-2.6145,4.6962,.0215;-.1538,4.6931,-.4062;1.0172,2.5096,-.6333;-.6457,1.365,-.3373;-1.8612,-1.307,-.0038;-.5046,-1.5032,.7619;.2939,-1.3849,.0162;-.3085,-.7617,1.5387;-.4041,-2.5134,1.1731;-2.5165,-2.5533,-.7126;-3.0577,-3.1194,.0608;-3.2349,-2.3137,-1.5003;-1.764,-3.2434,-1.1068; Gaussian 16 25-Mar-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP SP # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSymm Pop=(Regular,Orbitals=20,NBO,SaveNBOs) Guess=TCheck Geom=Check 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156.93539999999996 AuxInfo=1/0/N:18,22,6,11,5,8,1,12,4,2,3,17,16/E:(1,2)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,13.2/rA:25nC3C3C3C3C3C3HC3HHC3C3HHHN2BCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s1;s4;s5;s6;s8;s11;s8;s11;s12;s3s12;s2;s17;s18;s18;s18;s17;s22;s22;s22;/rC:-4.0036,.0569,.1848;-2.6354,.066,.0022;-1.9863,1.3383,-.0895;-2.7415,2.5345,.0399;-4.1386,2.4595,.2661;-4.7574,1.2428,.3349;-4.5281,-.8929,.2317;-2.059,3.7686,-.0745;-4.7048,3.3796,.371;-5.8275,1.1815,.4977;-.7133,3.7707,-.3104;-.0524,2.5284,-.4372;-2.6145,4.6962,.0215;-.1538,4.6931,-.4062;1.0172,2.5096,-.6333;-.6457,1.365,-.3373;-1.8612,-1.307,-.0038;-.5046,-1.5032,.7619;.2939,-1.3849,.0162;-.3085,-.7617,1.5387;-.4041,-2.5134,1.1731;-2.5165,-2.5533,-.7126;-3.0577,-3.1194,.0608;-3.2349,-2.3137,-1.5003;-1.764,-3.2434,-1.1068; NProcShared=64 Mem=60GB OldChk=Napht_Me.chk Chk=Napht_Me-NBO.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/6=300,29=2,38=1,172=1/1 2/12=2,15=1,40=1/2 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,70=2201,72=13,74=-58,116=-2/1,2,3 4/5=101/1 5/5=2,7=300,38=6,53=13/2 6/28=1,40=1,73=1,96=20/1,7 99/5=1,9=1/99 Napht_Me-NBO Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "Napht_Me-NBO.chk" Charge = 0 Multiplicity = 1 (5D, 7F) 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 1 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 7 No pseudopotential on this center. 17 5 No pseudopotential on this center. 18 6 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 1 No pseudopotential on this center. 21 1 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 1 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 1 No pseudopotential on this center. 25 25 25 1.00e+00 60 F 0.000000 1.380415 0.000000 2.405590 1.431254 0.000000 2.784368 2.471061 1.420480 0.000000 2.407805 2.838719 2.452729 1.417352 0.000000 1.413186 2.449172 2.804981 2.412350 1.366735 0.000000 1.085968 2.134100 3.397345 3.869873 3.375161 2.150491 0.000000 4.198293 3.747977 2.431407 1.414856 2.480820 3.718650 5.283906 0.000000 3.400949 3.924026 3.430519 2.162937 1.085345 2.137703 4.278406 2.711033 0.000000 2.165487 3.417563 3.888980 3.400584 2.130560 1.084197 2.462271 4.606735 2.471443 0.000000 4.986359 4.185297 2.754219 2.400873 3.712713 4.812584 6.049401 1.366222 4.068020 5.788945 0.000000 4.701926 3.595645 2.297287 2.731103 4.146930 4.938241 5.673176 2.386692 4.798168 6.003403 1.412853 0.000000 4.845639 4.630333 3.417965 2.165555 2.717691 4.076336 5.911414 1.085477 2.495014 4.785789 2.140369 3.387369 0.000000 6.055201 5.266436 3.835776 3.399227 4.617364 5.800608 7.123555 2.143535 4.800095 6.733486 1.083121 2.167277 2.497597 0.000000 5.647501 4.440338 3.269409 3.818586 5.233967 5.990688 6.563191 3.370574 5.874236 7.063552 2.165521 1.087585 4.289470 2.488095 0.000000 3.641370 2.400312 1.363625 2.429470 3.709825 4.168073 4.527098 2.800718 4.586533 5.251898 2.406812 1.309827 3.886160 3.364999 2.040357 0.000000 2.546723 1.576227 2.649645 3.941280 4.409776 3.873516 2.709076 5.079923 5.494545 4.709157 5.214802 4.262623 6.050351 6.251252 4.821580 2.954306 0.000000 3.874250 2.753091 3.315757 4.671968 5.399505 5.080221 4.103828 5.559421 6.452513 5.967485 5.385776 4.230343 6.590308 6.315147 4.512715 3.074759 1.570038 0.000000 4.536080 3.268949 3.553384 4.957372 5.872763 5.702800 4.851777 5.665947 6.914660 6.655110 5.263173 3.954665 6.740833 6.109072 4.013960 2.927362 2.156589 1.098957 0.000000 4.019619 2.908697 3.142656 4.362422 5.163908 5.025935 4.419306 5.117678 6.151504 5.943069 4.911771 3.846370 6.116262 5.793225 4.144458 2.855837 2.255592 1.091681 1.751992 0.000000 4.532048 3.605930 4.351211 5.676996 6.284825 5.810551 4.529777 6.615024 7.339329 6.597137 6.464178 5.304365 7.628267 7.381742 5.523888 4.169062 2.227900 1.095328 1.760444 1.791998 0.000000 3.135310 2.717707 3.976719 5.148085 5.358901 4.530956 2.774003 6.370487 6.415747 5.135856 6.588337 5.654376 7.287301 7.628043 6.174655 4.358183 1.576437 2.706371 3.129627 3.626799 2.831857 0.000000 3.316483 3.213845 4.587167 5.662807 5.686406 4.689682 2.673644 6.961375 6.711620 5.134294 7.287505 6.417057 7.828338 8.347868 6.983763 5.107479 2.172769 3.101984 3.774146 3.911745 2.940453 1.100704 0.000000 3.008342 2.877455 4.109318 5.110821 5.169168 4.281886 2.586632 6.356853 6.170503 4.788540 6.692809 5.891083 7.199992 7.732108 6.488145 4.646404 2.267140 3.637115 3.951535 4.495348 3.898715 1.092698 1.765645 0.000000 4.192443 3.597451 4.698612 5.971171 6.328318 5.582612 3.867406 7.093744 7.395686 6.218311 7.136936 6.057419 8.064421 8.128477 6.407516 4.804171 2.230681 2.847191 2.991665 3.908510 2.753201 1.094512 1.747164 1.784058 0.000000 1.2540993 0.7090254 0.4758505 1 -505.975898595 PT2536S 2021-03-25T14:40:03.000 -10.30041 -10.29969 -10.29762 -10.29590 -10.27587 -10.24738 -10.24001 -6.84342 -1.05568 -0.95914 -0.91628 -0.85849 -0.84922 -0.80166 -0.76714 -0.74486 -0.73052 -0.70076 -0.62458 -0.61196 -0.60472 -0.55096 -0.54179 -0.52124 -0.51434 -0.50529 -0.50289 -0.49455 -0.48473 -0.46432 -0.46174 -0.45705 -0.43786 -0.43669 -0.39983 -0.38999 -0.38399 -0.34178 -0.33178 -0.31080 -0.00458 0.03676 0.03829 0.04414 0.04646 0.04911 0.06251 0.06375 0.06738 0.07883 0.08275 0.08678 0.09217 0.09512 0.09768 0.10648 0.11466 0.11800 0.12442 0.12848 0.13653 0.14254 0.14764 0.15036 0.15917 0.16090 0.16395 0.16793 0.17050 0.17600 0.17774 0.18422 0.18627 0.18835 0.19480 0.19514 0.20111 0.20452 0.20637 0.21257 0.21419 0.21853 0.22232 0.22611 0.23075 0.23161 0.23830 0.24313 0.24848 0.25247 0.25455 0.25934 0.26510 0.27451 0.28119 0.28525 0.28777 0.28970 0.29322 0.29559 0.30450 0.30768 0.31412 0.31885 0.32907 0.33138 0.34166 0.34290 0.35004 0.35376 0.35910 0.36134 0.36746 0.37313 0.37593 0.38123 0.38670 0.39324 0.40078 0.40270 0.40777 0.41328 0.42587 0.43404 0.44061 0.44544 0.45917 0.46143 0.48373 0.50158 0.53027 0.55358 0.56510 0.57027 0.58027 0.58647 0.59742 0.60457 0.61240 0.62712 0.63868 0.64372 0.65090 0.65488 0.65739 0.66349 0.67238 0.67985 0.68298 0.69061 0.69780 0.71068 0.71283 0.71624 0.73758 0.73958 0.75246 0.76676 0.77037 0.78599 0.79006 0.80083 0.80173 0.80832 0.82723 0.83043 0.83805 0.84507 0.85898 0.86528 0.86991 0.87768 0.89250 0.90792 0.91679 0.93220 0.93818 0.94720 0.96554 0.96861 0.98243 0.99603 1.00063 1.00894 1.01817 1.02520 1.04070 1.05248 1.06170 1.06867 1.08617 1.10931 1.11745 1.13578 1.14330 1.15764 1.16144 1.17835 1.18251 1.19356 1.20906 1.22489 1.23092 1.26384 1.28850 1.30410 1.32749 1.37793 1.39066 1.39624 1.42367 1.44061 1.47020 1.53284 1.53990 1.55233 1.57186 1.59104 1.59688 1.60962 1.61976 1.62926 1.63488 1.64845 1.66330 1.66969 1.67605 1.70223 1.71301 1.72195 1.74626 1.76289 1.77500 1.78734 1.79304 1.80382 1.81074 1.82127 1.82207 1.83244 1.85812 1.87493 1.87821 1.88264 1.91140 1.94149 1.96048 1.97675 1.98077 1.99685 2.00377 2.00831 2.01891 2.04130 2.04747 2.06376 2.07208 2.08410 2.11849 2.12702 2.16108 2.17208 2.18806 2.21801 2.23017 2.24039 2.25313 2.28808 2.31440 2.32448 2.35051 2.36012 2.38951 2.42737 2.44639 2.47378 2.50200 2.52630 2.54204 2.54804 2.57063 2.57481 2.58481 2.60428 2.60865 2.64178 2.66897 2.67554 2.67842 2.69373 2.71434 2.72174 2.75901 2.76785 2.77302 2.79986 2.80808 2.81410 2.81659 2.82756 2.83162 2.84106 2.84790 2.85500 2.85617 2.87385 2.89465 2.91104 2.93186 2.93541 2.96853 2.98162 3.02011 3.03515 3.06412 3.08914 3.12591 3.13516 3.14821 3.16406 3.20797 3.31462 3.35539 3.43842 3.45689 3.49300 3.51626 3.59561 3.61987 3.63398 3.68434 3.72220 3.77026 3.77788 3.85481 3.87791 3.94511 3.97670 4.04154 4.05555 4.08616 4.12919 4.14540 4.16757 4.27195 4.29264 4.58549 4.64756 4.93732 5.36200 14.80720 23.72516 23.96888 24.05969 24.08705 24.13295 24.14217 24.15346 24.18003 24.24705 24.29832 24.32278 35.84091 41 42 43 44 45 46 47 48 49 50 O|O|O|O|O|V|V|V|V|V -0.38999 -0.38399 -0.34178 -0.33178 -0.31080 -0.00458 0.03676 0.03829 0.04414 0.04646 -0.00700 -0.00399 -0.00057 -0.00067 0.00184 0.00312 -0.00392 0.00468 -0.00673 0.00699 -0.01124 -0.00629 -0.00093 -0.00110 0.00294 0.00500 -0.00637 0.00772 -0.01097 0.01134 0.05384 0.01909 -0.00611 -0.01292 0.00671 -0.01935 -0.00498 0.01157 0.02444 0.00401 -0.04200 0.00032 0.01845 0.00467 -0.00274 0.00527 -0.00090 0.00910 -0.00460 0.02029 -0.00546 -0.04406 0.00787 -0.10186 0.07880 -0.08287 -0.08507 0.01368 0.07120 -0.01745 0.03027 0.01740 0.00250 0.00400 -0.00886 -0.01478 0.02047 -0.02920 0.03687 -0.03427 0.07742 0.02413 -0.00662 -0.02097 0.01232 -0.02795 -0.00822 0.01462 0.03525 0.00002 -0.06112 -0.00002 0.02512 0.00740 -0.00408 0.00816 -0.00077 0.01416 -0.01063 0.02407 -0.00732 -0.06926 0.01172 -0.16332 0.12463 -0.13090 -0.13102 0.02327 0.10974 -0.02470 0.04614 0.03944 0.00471 -0.00427 -0.01601 -0.03227 0.03779 -0.01744 0.05885 -0.16023 0.04657 0.03299 -0.01343 -0.02219 0.00545 -0.04717 -0.04613 0.02478 0.03416 0.04396 -0.03257 0.00112 0.06029 0.00724 -0.00732 -0.00055 0.02277 0.03591 0.02186 0.06261 -0.00362 -0.06161 0.01380 -0.14727 0.12439 -0.19799 -0.23263 0.02758 0.18977 -0.05965 0.00661 0.22098 -0.05979 0.06525 -0.04201 0.10281 -2.55482 -14.39424 0.00152 -2.79711 -0.02633 0.00969 -0.14317 -0.11259 0.09547 -0.14922 -1.42310 -2.89698 -0.01454 0.43388 0.05153 0.04226 0.15726 0.08185 -0.12132 0.00263 0.34396 -0.14486 0.43782 1.04263 0.00289 0.00108 0.02259 0.00135 -0.00280 -0.20874 -0.12307 0.36623 0.14055 -0.01872 -0.00021 0.00081 -0.00029 -0.00227 -0.00511 -0.00635 0.00351 0.00129 0.00251 0.00078 -0.00003 -0.00247 0.00037 0.00552 0.01929 0.02075 -0.00773 0.00126 -0.00181 0.00101 -0.00216 -0.00241 0.00122 -0.00925 -0.00734 -0.00663 0.01499 -0.00140 0.00016 -0.00011 0.00293 0.00188 0.00075 0.00092 0.00225 0.00281 -0.00111 -0.00390 -0.00014 -0.00378 0.02164 -0.00167 -0.01007 -0.00282 0.00025 -0.00229 0.00335 0.00424 0.00349 0.00282 0.02259 -0.00030 0.00447 -0.00073 0.00188 0.00078 -0.00071 0.00235 0.00004 0.00221 0.03639 -0.00043 0.00694 -0.00120 0.00304 0.00127 -0.00110 0.00396 0.00019 0.00380 -0.08291 -0.02571 -0.00082 -0.00078 0.01657 0.01522 -0.00146 -0.00109 -0.01130 -0.00031 0.12134 -0.01106 -0.06234 -0.00625 0.01141 0.00143 -0.00307 0.00478 0.00351 0.00088 0.01453 -0.02752 0.00529 -0.00391 0.12602 0.09686 -0.00520 -0.00325 -0.02976 0.00562 -0.09605 0.00047 -0.02035 0.00337 -0.00807 -0.00402 0.00071 -0.01698 -0.00399 -0.02028 -0.12145 -0.03838 -0.00196 -0.00128 0.02639 0.02258 -0.00337 -0.00288 -0.01987 -0.00464 0.18031 -0.01673 -0.08716 -0.00890 0.01740 0.00211 -0.00378 0.00854 0.00293 -0.00110 0.02244 -0.04355 0.00942 -0.00608 0.20163 0.14953 -0.00837 -0.00665 -0.04835 0.00758 -0.18093 0.01665 -0.10641 0.00696 -0.02054 -0.00073 0.05632 0.01215 0.07209 0.09474 -0.09931 0.00558 -0.03422 -0.00601 0.01342 0.03282 0.00205 0.02668 0.01649 0.04998 0.10895 0.01026 -0.13918 -0.01296 0.01423 0.00675 -0.04504 -0.07060 0.05940 -0.00758 0.02055 -0.03980 0.01107 -0.00670 0.20311 0.25387 -0.01068 -0.00489 -0.07976 0.01667 0.19109 0.03602 -0.07246 0.20803 -0.16710 -0.01070 0.92683 -4.89188 2.66028 7.00473 -0.04072 0.07121 -0.23461 -0.06073 0.09106 0.20368 -1.66992 -4.37112 -0.34008 2.04045 0.03321 0.01816 -0.17615 -0.02536 0.08286 0.11251 -1.13293 -6.04150 0.27189 -1.14246 0.00683 -0.01213 0.03555 0.02588 0.03860 0.39239 0.29326 0.57616 0.17996 -0.44483 -0.00256 -0.00043 -0.00003 -0.00402 0.00243 -0.00185 -0.00551 0.00339 0.00261 -0.00073 -0.00024 0.00427 -0.00051 0.01654 -0.00904 0.01184 0.01835 -0.00384 -0.01867 0.00361 0.00027 -0.00886 0.00059 0.01109 0.00403 -0.00344 0.02445 0.00177 0.01584 -0.00122 0.00322 0.01137 -0.00559 0.00294 -0.00583 -0.00615 0.00976 0.00263 0.01139 -0.00199 0.01099 -0.00701 -0.00972 0.00069 0.00447 0.00313 -0.00020 -0.00402 -0.00498 -0.00274 -0.00148 0.00434 0.01360 0.00063 -0.00272 -0.00238 0.00240 0.00611 0.00388 -0.00134 -0.00230 0.00691 0.02210 0.00101 -0.00440 -0.00387 0.00392 0.01011 0.00628 -0.00210 -0.03038 0.00397 -0.06449 0.01995 0.00248 -0.00358 0.02952 0.00459 0.01126 0.00256 -0.05218 0.02208 0.05902 0.00333 -0.01149 -0.00769 0.00580 -0.00211 0.01501 0.00364 0.01198 -0.04933 0.00974 0.11645 0.03026 -0.00325 0.14681 -0.00139 0.03475 0.00040 0.00604 -0.01978 -0.06700 -0.00307 0.01370 0.01276 -0.01327 -0.03654 -0.01861 0.00472 -0.04796 0.00328 -0.10266 0.03283 0.00539 -0.00414 0.04584 0.01058 0.01327 0.00371 -0.07427 0.03023 0.08989 0.00487 -0.01652 -0.01050 0.00913 -0.00567 0.02313 0.00751 0.01893 -0.07894 0.01578 0.19139 0.05064 -0.00426 0.23330 -0.00456 0.05458 -0.00145 0.00879 -0.03816 -0.12070 -0.00427 0.01804 0.01337 -0.02228 -0.00789 -0.12101 0.04452 -0.05604 0.01005 -0.06171 0.03089 0.00148 -0.00763 0.06814 -0.07803 0.06051 -0.00133 -0.09105 0.05494 -0.08764 -0.00534 -0.01812 -0.01293 -0.00855 0.00909 0.05777 0.05414 0.02023 -0.07018 0.00635 0.16717 0.04021 -0.02265 0.38075 0.01622 0.07854 0.01310 0.10296 -0.07617 0.06882 -0.02984 -0.15929 -0.31760 3.87578 29.98181 -4.13928 -0.54142 -0.01232 0.04967 0.09288 0.03166 -0.08468 -0.20698 -0.47345 -5.68880 0.60664 0.33598 0.08207 0.03590 -0.13033 -0.00378 -0.02437 -0.14736 -0.64909 -2.17737 0.93744 5.07731 0.00868 -0.01376 -0.02092 -0.02419 -0.03400 -0.18924 0.40068 0.65656 -0.40251 -0.15686 0.00097 0.00248 0.00217 0.00102 0.00514 0.00780 -0.00203 0.00256 0.00574 -0.00075 -0.00064 -0.00958 0.00177 -0.00414 -0.01607 -0.02211 0.00414 -0.00311 -0.02218 0.00378 -0.00056 0.00611 0.00571 0.01122 -0.01423 -0.01309 -0.01092 0.00329 0.01873 -0.00388 0.01242 0.00103 -0.00657 -0.00085 -0.00137 -0.00233 -0.00080 -0.00092 -0.00566 0.00305 0.00072 0.00108 -0.03735 0.00039 -0.00089 -0.00202 -0.00175 0.00201 0.00503 0.00053 0.00123 -0.00161 -0.01025 -0.00046 0.00134 0.00120 -0.00050 0.00310 -0.00183 0.00074 0.00197 -0.00261 -0.01638 -0.00072 0.00216 0.00195 -0.00076 0.00532 -0.00308 0.00110 -0.01030 0.00147 0.04517 0.02070 -0.00454 0.00007 -0.01479 0.00263 0.01700 -0.00096 0.02457 -0.00910 -0.07398 -0.00312 0.00581 0.00313 -0.00164 0.00092 -0.00243 0.00304 0.00008 0.04144 -0.01358 0.11689 -0.01196 0.00560 -0.09170 0.01853 0.09392 -0.02040 -0.00626 0.00774 0.04543 0.00164 -0.00635 -0.00609 0.00084 -0.02757 0.01281 0.00056 -0.00989 0.00413 0.06659 0.03354 -0.00700 0.00020 -0.02349 0.00142 0.02773 0.00110 0.03751 -0.01390 -0.10209 -0.00425 0.00852 0.00481 -0.00185 0.00343 -0.00527 0.00485 -0.00092 0.06709 -0.02122 0.19088 -0.01976 0.00832 -0.14414 0.02959 0.14586 -0.03267 0.00822 -0.00139 0.14807 0.01062 -0.00967 -0.00661 0.01722 0.06846 -0.01182 -0.04123 -0.01712 -0.01201 0.11992 0.03411 -0.00391 -0.00199 -0.02856 -0.01972 0.05665 -0.05144 0.02238 -0.00799 -0.15988 -0.00907 0.00668 0.00075 -0.00766 0.08003 -0.01939 0.01251 -0.00001 0.05984 -0.02806 0.17595 -0.01514 0.02284 -0.24415 0.05390 0.26698 -0.05033 0.00037 0.07150 0.03222 -0.07056 -0.04426 -0.03430 0.07241 9.30781 -3.18526 -4.90233 0.03884 -0.00818 -0.06450 0.06803 0.04695 0.21593 -0.45585 -8.17516 2.47672 4.81526 0.22870 0.00502 -0.23191 -0.00507 -0.00117 0.06554 0.86061 11.32730 -1.94800 2.47929 -0.00931 -0.01362 0.01243 0.01971 0.03365 0.06916 -0.13016 1.73442 0.38615 -0.79024 -0.00033 -0.00042 0.00068 -0.00213 -0.00592 0.00640 -0.00292 0.00202 -0.00098 -0.00019 0.00032 0.00143 0.00179 0.00709 0.01974 -0.02247 0.01057 -0.00021 0.00325 -0.00003 -0.00293 0.01333 0.00101 -0.00919 0.00508 -0.01467 -0.02601 -0.00252 -0.01694 0.00201 -0.00683 0.00290 -0.00576 0.00149 0.00246 -0.00523 0.00336 0.00344 0.00147 -0.00221 0.00657 0.00015 -0.00488 -0.00185 0.00141 -0.00163 -0.00454 0.00532 -0.00550 -0.00053 0.00265 0.00005 0.00672 0.00027 0.00001 0.00032 0.00012 0.00592 -0.00212 0.00172 0.00420 0.00008 0.01083 0.00044 0.00002 0.00052 0.00023 0.00964 -0.00343 0.00285 -0.00376 0.00962 -0.03183 -0.00104 -0.02013 0.01676 0.00041 0.01209 -0.00934 -0.00067 -0.01619 0.00297 0.01622 0.00074 0.00134 -0.00184 -0.00074 -0.01595 0.00537 -0.00028 0.00362 0.00889 -0.00031 -0.00471 -0.12463 0.11100 -0.01140 -0.00717 -0.03976 0.00775 -0.01210 -0.00005 -0.03282 -0.00121 -0.00014 -0.00178 -0.00140 -0.03111 0.00917 -0.01425 -0.00506 0.01384 -0.04680 -0.00190 -0.03216 0.02630 -0.00008 0.01662 -0.01426 -0.00376 -0.02224 0.00383 0.02258 0.00105 0.00237 -0.00285 0.00013 -0.01890 0.00550 -0.00390 0.00559 0.01491 -0.00119 -0.00750 -0.19960 0.17384 -0.01727 -0.01039 -0.06127 0.01176 -0.02297 -0.00431 -0.00727 -0.00335 -0.00111 -0.01164 0.00051 -0.10890 0.05909 0.01281 -0.00556 0.00514 -0.02069 -0.00052 -0.02889 0.03877 0.00255 -0.03313 -0.01115 -0.02465 -0.02856 -0.00216 0.05552 0.00368 0.00361 0.00214 -0.00652 -0.10255 0.02644 0.01577 0.00495 0.01162 -0.00439 -0.00861 -0.19238 0.25862 -0.03939 -0.01251 -0.12650 0.02895 0.08223 -0.00836 -0.20135 0.07280 0.08622 0.07021 -2.00632 -23.12084 5.39460 7.08760 0.06271 0.00725 0.06885 0.07269 -0.02371 0.10278 0.21374 -3.64906 0.60513 -1.13786 -0.00978 -0.00090 0.10333 0.01672 -0.00151 0.07227 0.19502 -0.66795 0.34327 -1.60419 -0.00932 0.01403 -0.01229 -0.01093 -0.03691 0.16252 -0.11424 0.45023 -0.49526 0.21842 -0.00058 -0.00127 -0.00046 -0.00458 -0.00033 -0.00110 0.00540 0.00140 -0.00545 -0.00013 -0.00135 0.00471 -0.00045 0.01784 0.00259 0.00502 -0.02031 0.00512 0.01646 -0.00364 -0.00200 0.00347 0.00202 0.01214 0.00894 0.00624 -0.01702 0.00151 -0.00054 -0.00017 0.00562 0.00296 -0.00312 0.00300 0.00043 0.00041 -0.00335 -0.00434 0.00482 -0.00323 0.00702 0.00039 -0.01212 0.00143 0.00197 0.00099 -0.00262 -0.00339 0.00131 -0.00182 0.00804 0.00147 -0.00070 -0.00028 0.00002 -0.00097 0.00147 0.00672 0.00196 0.00511 0.01285 0.00237 -0.00115 -0.00044 0.00001 -0.00157 0.00241 0.01077 0.00321 0.00817 -0.03866 -0.01505 0.00865 -0.01563 -0.01172 -0.00860 0.01329 0.01585 -0.01069 0.02095 0.05003 0.00240 -0.02164 0.00153 0.00346 -0.00099 0.00008 0.00368 0.00770 -0.00108 0.01311 -0.01893 -0.00257 -0.10406 -0.07844 -0.06586 0.09434 -0.01315 -0.03076 0.00536 -0.03849 -0.00699 0.00396 0.00122 -0.00000 0.00438 -0.00741 -0.02915 -0.00904 -0.02114 -0.05559 -0.02223 0.01196 -0.02513 -0.01853 -0.01388 0.01980 0.01647 -0.01610 0.02003 0.06974 0.00460 -0.02796 0.00260 0.00450 -0.00200 0.00045 0.00373 0.01172 -0.00262 0.01962 -0.03048 -0.00358 -0.16704 -0.12488 -0.10496 0.14389 -0.01965 -0.05160 0.01036 -0.04991 -0.00547 -0.00099 0.00466 0.00018 0.02069 -0.03804 -0.23431 -0.03182 -0.15948 -0.04856 -0.02402 0.00669 -0.02153 -0.01663 -0.01118 0.03839 0.07460 -0.03656 0.12759 0.05401 -0.00221 -0.00325 0.00442 0.00712 0.00289 0.00910 -0.00135 0.02562 -0.02861 0.01701 -0.02430 -0.00233 -0.15142 -0.12219 -0.15180 0.26506 -0.03530 -0.06230 0.00390 -0.06382 -0.10076 -0.12050 -0.16841 0.20518 0.11005 0.37965 8.39151 -1.62410 -2.49279 -0.03051 -0.02466 -0.04093 -0.03173 0.03052 0.03749 0.32317 4.90472 -0.60094 3.22234 0.03561 0.02061 0.12628 0.09584 -0.07542 0.08590 0.77777 0.71079 -0.09428 -1.41817 0.00619 -0.00683 0.01176 -0.01654 -0.02387 -0.11064 0.31600 -0.69279 0.07331 -0.55036 -0.00099 0.00096 -0.00013 0.00219 -0.00028 0.00048 0.00213 0.00255 -0.00348 0.00191 -0.00047 -0.00287 0.00040 -0.00624 -0.00226 0.00349 -0.00669 0.00125 0.00596 -0.00157 -0.00045 0.00439 -0.00045 0.00881 -0.02062 0.02522 0.00926 -0.00332 -0.01504 0.00319 0.00561 0.00367 -0.00319 -0.00040 -0.00147 0.00063 0.00022 0.00703 0.00075 0.00415 0.00201 0.00068 -0.00397 0.00123 -0.00307 0.00392 0.00135 0.00122 -0.00467 -0.00093 0.02867 -0.00676 -0.01696 -0.00236 0.00199 -0.00161 0.00173 0.00151 0.00411 -0.00249 0.04585 -0.01188 -0.02237 -0.00282 0.00324 -0.00459 0.00883 -0.01470 0.00867 -0.02767 0.04015 -0.00140 -0.00605 -0.00471 -0.00534 -0.01476 -0.01997 0.23821 0.04861 0.42104 0.01844 0.01076 0.02536 0.00631 -0.02696 -0.11447 -0.09372 0.67207 0.29624 1.90252 0.00386 -0.00031 -0.00050 -0.00107 0.00100 -0.00136 -0.00106 -0.00312 0.00069 -0.00464 -0.00205 -0.00058 0.00070 0.00036 -0.00055 -0.00031 0.00120 -0.00508 0.00059 -0.00591 -0.00055 -0.00350 0.00061 -0.00843 0.00654 -0.00948 -0.01132 0.00220 0.00785 -0.00114 -0.00416 0.00107 0.00354 0.00030 -0.00065 -0.00091 0.00136 0.00684 -0.00096 -0.00569 -0.00662 0.00171 0.00576 0.00049 -0.00106 -0.00148 0.00225 0.01114 -0.00157 -0.00936 -0.01561 0.02195 -0.01261 0.00067 0.01339 -0.02087 -0.00569 0.00702 -0.01693 -0.00680 -0.02052 0.00831 0.02610 0.00148 -0.00314 -0.00190 -0.00008 -0.01915 0.00959 0.01165 -0.00980 0.09058 0.00235 0.00312 0.08130 -0.11367 -0.04133 -0.01440 -0.08628 0.01361 0.01967 -0.00507 -0.01762 -0.00145 0.00321 0.00491 -0.00776 -0.03526 0.00539 0.03444 -0.02179 0.03377 -0.01741 0.00106 0.02182 -0.03260 -0.00914 0.00504 -0.02470 -0.01033 -0.02838 0.01129 0.03917 0.00224 -0.00441 -0.00270 0.00114 -0.02019 0.01049 0.00748 -0.01629 0.14578 0.00324 0.00491 0.13116 -0.17801 -0.06352 -0.02080 -0.13337 0.02163 0.02296 0.00133 -0.01205 -0.00212 0.00281 0.01136 -0.01797 -0.17616 0.03971 0.09109 -0.01477 0.02881 -0.06262 -0.00168 0.01953 -0.04826 -0.01469 0.11200 -0.07040 -0.01959 -0.02295 0.00662 0.05848 0.00284 -0.00524 -0.00441 -0.00384 -0.05231 0.03307 0.05403 -0.01375 0.12095 0.01077 0.00539 0.12076 -0.27304 -0.11830 -0.05713 -0.24410 0.03677 -0.22526 -0.07786 0.39934 -0.03742 0.09556 0.18360 -0.44595 -9.00828 1.25660 -6.83683 0.13715 0.00184 0.03021 0.00459 0.00931 0.05487 0.64823 6.32050 -1.76894 -3.91266 0.09605 0.01690 -0.03685 0.01508 -0.01560 -0.00171 0.11326 1.20223 0.06786 0.91936 -0.02313 0.01274 -0.00687 0.00229 -0.00190 -0.24822 -0.27663 -1.25336 -0.24517 0.68329 0.00115 -0.00210 -0.00030 0.00546 -0.00293 -0.00147 -0.00838 0.00293 0.00001 0.00016 -0.00170 0.00608 0.00223 -0.01767 0.00965 0.00566 0.02674 -0.00095 -0.00284 0.00176 0.00040 -0.00454 0.00307 -0.01149 0.00018 0.00055 0.01231 -0.00176 -0.01520 0.00212 0.00228 0.00131 -0.00709 -0.00332 0.00245 0.00159 0.00423 -0.00018 -0.00136 0.00102 -0.00042 -0.00120 -0.01466 -0.00239 0.00049 0.00011 0.00126 -0.00657 -0.00043 0.00591 -0.01778 -0.00194 0.02953 0.00055 -0.00084 0.00017 -0.00055 -0.00217 -0.00090 0.00376 -0.02661 -0.00222 0.04441 0.00072 -0.00151 -0.00023 -0.00263 -0.02341 0.00442 -0.00380 -0.01393 -0.00135 0.02379 0.00028 -0.00156 -0.00327 0.02813 0.34701 -0.12335 0.01370 0.02064 -0.00090 0.00168 0.00604 -0.00606 -0.01998 0.14972 1.42167 -0.61874 -0.23682 -0.00087 0.00077 -0.00082 -0.00005 -0.00176 0.00179 -0.00063 -0.00336 -0.00042 -0.00188 -0.00002 0.00033 -0.00016 0.00002 0.00009 -0.00016 0.00053 0.00687 -0.00213 0.00061 0.00035 0.00102 -0.00034 -0.00040 -0.01044 0.01184 -0.00198 -0.00031 -0.00777 0.00166 0.02825 0.01092 -0.00845 0.00013 -0.00064 -0.00105 0.00162 0.00086 0.00262 -0.00185 0.04621 0.01595 -0.01462 0.00027 -0.00056 -0.00095 0.00477 -0.01010 0.00736 -0.02499 0.01884 0.00562 -0.01000 0.00089 -0.00077 -0.00074 0.02021 0.40250 -0.02836 0.51670 -0.00873 -0.00282 -0.01636 -0.00308 0.00921 0.02793 0.11703 2.88742 -0.27314 3.37825 0.00151 -0.00002 -0.00017 -0.00137 -0.00091 -0.00096 0.00134 -0.00583 -0.00059 -0.00538 0.00316 0.00025 -0.00167 0.00015 0.00024 -0.00006 -0.00003 0.00015 0.00037 -0.00110 0.00030 -0.00168 -0.00007 -0.00874 -0.00671 -0.00816 0.01143 -0.00077 -0.00537 0.00202 -0.00603 0.00058 -0.01160 -0.00035 -0.00031 -0.00062 0.00107 0.00689 -0.00055 -0.00732 -0.00962 0.00091 -0.01857 -0.00056 -0.00049 -0.00101 0.00174 0.01106 -0.00084 -0.01171 0.01122 0.00779 0.03851 -0.01663 0.01126 0.01092 0.01969 -0.01190 0.00326 0.01381 -0.02732 0.00072 -0.06893 -0.00166 -0.00050 -0.00137 -0.00116 -0.01473 0.00804 0.02095 -0.01555 0.07271 -0.00186 -0.09899 0.06564 0.05821 0.11810 -0.00236 0.00732 0.00193 0.02826 -0.00252 0.05411 0.00162 0.00146 0.00306 -0.00523 -0.03148 0.00144 0.03069 0.01555 0.01370 0.05062 -0.02707 0.01807 0.01719 0.03115 -0.01125 0.00253 0.01351 -0.04000 0.00061 -0.09717 -0.00231 -0.00085 -0.00216 -0.00125 -0.01966 0.01087 0.02416 -0.02451 0.11680 -0.00101 -0.15942 0.10431 0.09324 0.18264 -0.00493 0.00976 0.00488 0.04459 -0.00628 0.13945 0.00481 0.00315 0.00987 -0.02609 -0.22622 0.05365 0.23956 0.01961 0.01143 0.04431 -0.02657 0.01885 0.03192 0.05015 -0.04576 0.01894 0.08163 -0.03384 -0.00050 -0.10605 -0.00339 -0.00021 -0.00291 -0.00321 -0.05310 0.02660 0.08191 -0.02185 0.09876 -0.00026 -0.14780 0.10735 0.14184 0.32803 -0.00288 0.03343 -0.00395 0.02148 0.06778 0.01113 0.04694 -0.11056 -0.36877 -0.54138 -3.98689 1.01058 5.11728 0.06373 -0.00342 0.03272 -0.00257 0.02504 0.14024 0.18715 0.72859 -0.04669 -0.12899 -0.07627 -0.01405 -0.05159 -0.01648 0.01802 0.05362 -0.31094 -2.94622 0.93330 3.45547 -0.01530 0.01378 -0.00336 -0.02259 0.02208 0.11385 0.38302 -0.05961 0.12914 0.08943 0.00034 0.00325 0.00121 0.00190 0.00388 -0.00735 0.00011 0.00114 -0.00695 -0.00045 0.00155 -0.01090 0.00054 -0.00527 -0.01202 0.02323 0.00049 0.00436 0.01861 -0.00436 0.00043 -0.00006 0.00052 0.01010 0.00344 -0.00947 0.01085 -0.00362 -0.01252 0.00353 -0.00044 -0.00115 0.00047 -0.00092 -0.00213 0.00465 -0.00046 -0.00241 0.00355 0.00360 0.00112 -0.00154 -0.00620 0.00156 0.00093 -0.00159 0.00243 0.00573 -0.00449 -0.00459 0.00472 0.00002 0.01187 0.00047 0.00012 0.00078 0.00006 0.00502 -0.00227 -0.00377 0.00761 0.00001 0.01926 0.00077 0.00019 0.00127 0.00009 0.00793 -0.00364 -0.00592 -0.01259 0.00396 -0.01812 -0.01878 -0.00858 0.01633 -0.01650 -0.01040 0.01648 0.01157 0.02663 0.00242 0.07419 0.00336 0.00021 0.00085 -0.00045 -0.00236 -0.00230 0.00043 -0.00174 -0.01207 0.00931 -0.10102 -0.04746 0.08397 -0.08478 0.01956 0.08083 -0.02020 -0.02150 0.00002 -0.05799 -0.00230 -0.00065 -0.00396 -0.00005 -0.01994 0.00891 0.01334 -0.01727 0.00545 -0.02106 -0.03033 -0.01371 0.02629 -0.02616 -0.01522 0.02521 0.01634 0.04210 0.00297 0.11582 0.00534 0.00048 0.00196 -0.00066 -0.00423 -0.00496 0.00299 -0.00355 -0.01809 0.01373 -0.16442 -0.07547 0.13508 -0.13440 0.03072 0.12656 -0.03051 -0.03518 0.00101 -0.09919 -0.00763 0.00100 -0.00960 -0.00781 -0.16402 0.09621 0.17103 -0.00662 0.00742 -0.00693 -0.02446 -0.01422 0.03549 -0.04402 -0.01635 0.03580 0.01049 0.00134 0.00417 0.02489 0.00460 -0.00111 -0.00509 0.00954 0.04369 -0.02908 -0.07693 -0.00399 -0.01943 0.00910 -0.14491 -0.07806 0.18440 -0.22326 0.04946 0.22111 -0.05527 -0.21423 -0.08371 -0.16914 -0.08155 0.11152 0.24292 -0.36464 -2.97812 1.24884 3.09489 0.04548 0.01905 0.04813 0.02251 -0.03407 -0.07891 -0.03244 -0.84639 0.10288 0.60285 -0.05462 0.00267 -0.02121 -0.00171 -0.00942 -0.05329 -0.05183 -0.54571 0.10123 0.24285 -0.00658 -0.01137 -0.01047 -0.01588 -0.01138 0.15529 -0.27881 0.11066 0.18705 -0.20718 0.00049 0.00000 0.00113 -0.00175 -0.00070 -0.00208 0.00245 0.00246 -0.00201 -0.00179 0.00272 0.00028 0.00541 0.00558 0.00278 0.00684 -0.00549 0.00080 0.00483 -0.00118 -0.00028 0.01549 0.00512 -0.00838 0.01854 0.02319 0.02389 0.00144 0.01464 -0.00214 -0.01117 0.00311 -0.03007 0.00010 0.00059 0.00056 0.00051 0.00601 0.00266 -0.00407 -0.00890 0.00352 -0.02497 -0.00235 0.00341 0.00374 0.00431 -0.00163 0.00491 0.00327 -0.00574 0.00251 0.03463 0.00111 -0.00205 -0.00078 0.00113 -0.00115 0.00155 -0.00222 -0.00998 0.00424 0.04794 0.00153 -0.00338 -0.00154 0.00026 -0.01759 0.01064 0.02094 -0.00170 0.00244 0.02186 0.00038 -0.00221 -0.00366 0.04299 0.44247 -0.16151 -0.36121 -0.00495 -0.00050 0.00406 -0.00403 0.00357 0.01106 0.20997 2.59440 -0.92458 -1.82756 -0.00111 0.00190 -0.00049 0.00006 0.00102 -0.00218 -0.00118 -0.00456 -0.00049 0.00214 -0.00041 0.00018 0.00037 0.00004 -0.00008 -0.00032 0.00096 0.00598 -0.00188 -0.00689 -0.00080 0.00723 0.00009 0.00017 0.00665 -0.01199 -0.00527 -0.00107 -0.01311 0.00160 -0.00838 -0.00304 -0.02920 -0.00108 0.00009 -0.00043 0.00030 0.00111 0.00100 0.00088 -0.01597 -0.00416 -0.05308 -0.00157 -0.00018 -0.00184 -0.00052 -0.01265 0.00828 0.02861 -0.00604 -0.00289 -0.02396 -0.00078 0.00058 -0.00517 0.03906 0.40367 -0.13692 -0.59153 0.00837 0.00003 0.00958 0.00297 -0.00300 -0.03925 0.23164 2.25527 -0.81580 -3.66837 0.00150 0.00076 0.00439 -0.00136 0.00099 0.00136 0.00289 0.00267 -0.00103 -0.00400 -0.00001 0.00013 -0.00083 -0.00001 -0.00001 -0.00011 0.00058 0.00564 -0.00151 -0.00677 -0.00133 0.00586 -0.00036 -0.00830 0.00549 0.00718 0.01507 -0.00110 0.00057 0.00132 -0.02322 0.00686 -0.05370 -0.00149 0.00001 -0.00058 0.00088 0.00104 0.00207 0.00074 -0.04053 0.01017 -0.09676 -0.00264 -0.00042 -0.00191 0.00239 -0.00634 0.00283 0.00708 -0.02314 0.00174 -0.06824 -0.00416 0.00181 0.00350 0.00910 0.21887 -0.03094 -0.19433 -0.01625 -0.00165 -0.02834 -0.00960 0.00432 0.04087 0.02544 1.38915 -0.33265 -1.25260 0.00105 -0.00036 0.00206 -0.00143 -0.00064 0.00189 -0.00155 0.00456 0.00146 -0.00418 0.00156 0.00019 0.00425 0.00017 0.00001 -0.00002 0.00004 -0.00054 0.00032 0.00019 -0.00050 -0.00071 0.00008 -0.00805 -0.00360 0.01029 -0.01000 0.00132 0.01024 -0.00147 -0.01697 0.00017 -0.03490 -0.00124 -0.00061 -0.00187 0.00145 0.00311 0.00291 -0.00133 -0.02745 0.00028 -0.05670 -0.00202 -0.00100 -0.00306 0.00241 0.00500 0.00482 -0.00211 0.03393 -0.02516 0.11553 0.00324 -0.01749 -0.01825 -0.00701 -0.00718 -0.02126 -0.00007 -0.06721 0.00215 -0.17982 -0.00585 0.00027 -0.00346 0.00230 0.00277 0.00946 0.00331 -0.00002 -0.07301 -0.02204 -0.00001 -0.08929 -0.10255 -0.03620 -0.01227 -0.09090 0.01436 0.07913 -0.00086 0.16056 0.00577 0.00333 0.00961 -0.00854 -0.01535 -0.01540 0.00685 0.05277 -0.03789 0.17162 0.00480 -0.02667 -0.02784 -0.01007 -0.00960 -0.03079 -0.00148 -0.10024 0.00342 -0.26391 -0.00873 0.00037 -0.00493 0.00357 0.00400 0.01530 0.00566 -0.00022 -0.11316 -0.03250 0.00028 -0.13715 -0.15463 -0.05284 -0.01732 -0.13519 0.02251 0.12528 0.00139 0.27599 0.01106 0.00192 0.01467 -0.00497 -0.01406 -0.04138 -0.00215 0.03315 -0.03239 0.14516 0.00547 -0.02587 -0.03220 -0.01744 -0.01907 -0.05890 -0.00615 -0.08088 0.00055 -0.22985 -0.00528 0.00107 -0.00524 0.00426 0.02044 -0.00769 -0.02695 0.00324 -0.10203 -0.02900 -0.00046 -0.13614 -0.19888 -0.07941 -0.03195 -0.19893 0.02845 0.10153 -0.03072 0.18874 0.01429 0.02014 0.01257 0.10649 0.97962 -0.16665 -0.77304 -0.02715 0.01358 -0.01121 0.00579 -0.01506 -0.03755 -0.01715 -0.03456 -0.09856 0.02204 -0.01286 0.01228 -0.04209 0.00070 -0.00846 -0.00885 0.01670 0.12991 -0.19091 -0.26236 0.00361 -0.00617 0.00393 0.01261 -0.00792 -0.12216 -0.05101 0.06839 -0.16573 0.08451 0.00529 -0.00240 0.01129 0.00463 0.00043 -0.00216 0.00556 0.00012 -0.00210 0.00071 0.00068 0.00541 0.00371 -0.01314 -0.00116 0.00797 -0.01810 0.00216 0.00432 -0.00179 -0.00144 -0.00496 -0.00051 -0.00811 -0.01044 -0.00041 -0.01085 0.00155 0.00460 -0.00120 0.00046 0.00151 0.00248 -0.00249 0.00006 0.00255 -0.00449 -0.00199 -0.00071 0.00160 0.00629 -0.00259 0.00580 -0.00138 -0.00145 0.00008 -0.00219 -0.00086 -0.00010 -0.00025 -0.00438 -0.00259 -0.00149 0.00008 0.00126 -0.00034 0.00082 -0.00094 -0.00041 -0.00231 -0.00663 -0.00401 -0.00225 0.00011 0.00204 -0.00048 0.00123 -0.00141 -0.00060 -0.00391 0.07025 0.10024 -0.02399 -0.00145 -0.03304 -0.03966 0.02861 0.01220 0.06751 -0.01364 -0.12760 0.04893 0.03939 0.00369 -0.02165 -0.01553 0.01429 0.00217 0.02771 -0.00503 0.00965 0.07594 0.00031 -0.00192 0.00373 0.05976 -0.04751 -0.01737 -0.10593 0.01323 0.01408 0.01155 0.00357 0.00042 -0.00708 0.00201 0.00188 -0.00225 -0.00110 0.01531 0.09872 0.13534 -0.02937 -0.00176 -0.05051 -0.06412 0.04493 0.01712 0.10785 -0.02474 -0.17487 0.06609 0.05638 0.00552 -0.03223 -0.02668 0.02139 -0.00064 0.04344 -0.01093 0.01324 0.10477 -0.00046 -0.00282 0.00555 0.09568 -0.07349 -0.02444 -0.16850 0.01338 0.02874 0.00405 0.00133 -0.02464 0.02035 -0.01924 -0.20078 0.08881 0.07355 -0.05024 0.05143 0.07169 -0.01075 0.01155 -0.05656 -0.13907 0.12100 0.20545 0.09960 0.03303 -0.09847 0.02846 0.03675 0.01327 -0.03004 -0.06077 0.04446 -0.17348 0.04021 -0.19032 0.00409 0.04905 -0.00789 0.00219 -0.00632 0.06702 -0.16474 -0.06101 -0.37250 0.07222 0.14515 -0.01042 -0.01561 -0.01701 -0.03305 -0.00497 0.19090 0.37153 -0.04813 -1.12794 0.02365 0.08449 0.00290 0.07534 0.00546 -0.18367 0.37630 1.01445 0.04086 1.46720 -0.02077 0.03110 0.05538 0.03843 0.02669 -0.03053 0.18122 0.04735 0.14198 0.12596 0.00496 0.04837 0.00454 0.03634 0.01594 -0.00400 -0.18844 -0.00595 -0.53173 0.86419 0.01052 0.00194 -0.00209 -0.00083 -0.00001 -0.00032 -0.00055 0.00505 0.00339 0.00510 0.01453 0.00886 -0.00458 0.00126 -0.01179 -0.01004 0.00668 -0.00098 0.00184 -0.00102 0.00821 -0.01546 -0.00501 -0.00047 0.01820 0.01593 -0.00050 -0.00182 -0.00890 0.00286 0.01485 0.01785 -0.00505 -0.00084 -0.00654 -0.00605 -0.00213 0.00173 0.00274 0.00215 0.02449 -0.01343 -0.00525 -0.00133 0.00653 0.00437 0.00025 0.00310 -0.00031 0.00384 -0.00711 -0.01322 0.00699 0.00088 0.00500 0.00340 -0.00072 0.00712 -0.00318 0.00537 -0.01147 -0.02123 0.01128 0.00143 0.00797 0.00552 -0.00102 0.01134 -0.00515 0.00864 -0.08588 -0.11151 0.00737 0.00107 0.03648 0.01723 -0.00439 -0.00634 -0.01042 0.00317 0.04832 -0.00309 -0.03439 -0.00457 -0.00113 0.00012 -0.00153 0.00122 0.00370 0.00686 -0.01136 -0.05080 0.01435 -0.00053 0.00434 -0.00241 0.00316 -0.00003 0.01326 -0.00354 0.03131 0.05776 -0.03311 -0.00467 -0.02224 -0.01893 -0.00137 -0.02796 0.01536 -0.02371 -0.12628 -0.16320 0.01055 0.00276 0.05069 0.02357 -0.00054 -0.01048 -0.01233 0.00427 0.06672 -0.00317 -0.04982 -0.00644 -0.00334 -0.00148 -0.00305 0.00063 0.00823 0.01096 -0.01726 -0.07400 0.02202 -0.00042 0.00555 -0.00204 0.00471 -0.00303 0.01756 -0.00416 0.02467 0.05702 -0.03316 -0.00313 -0.01261 0.01793 0.04376 -0.18048 0.05163 -0.12066 -0.10647 -0.13819 0.00646 -0.00256 0.04565 0.01051 -0.04122 0.00876 -0.04041 0.01562 0.06383 0.00057 -0.03197 -0.00547 -0.00191 0.00696 0.01526 0.02047 0.00993 0.01739 -0.00912 -0.05740 0.01653 -0.00160 0.00409 -0.00669 -0.00966 0.04400 0.02025 -0.01315 -0.04111 -0.09133 -0.02215 -0.09157 -0.00427 -0.17057 0.03555 -2.10380 0.59834 -1.84315 0.01966 0.02769 -0.00292 0.01748 -0.00403 0.03880 0.04438 0.08812 -0.15600 0.28980 0.01512 -0.01551 0.00107 -0.02163 -0.01047 -0.02520 -0.00566 0.04811 0.11842 0.06147 0.00733 0.02795 -0.00031 0.01511 -0.00710 0.00595 0.01305 -0.15596 -0.06569 0.01666 0.00265 -0.00220 -0.00340 -0.00034 -0.00087 -0.00498 0.00369 0.00221 0.01083 -0.00088 0.00907 0.00488 -0.00069 -0.00023 -0.00255 -0.00633 0.00561 0.00112 0.01324 -0.00305 0.00774 -0.00551 -0.00622 -0.00045 0.00163 0.00198 -0.00039 0.00010 -0.00235 0.00021 0.00424 0.00467 -0.00575 -0.00078 0.00252 0.00811 -0.00655 -0.00255 -0.01085 0.00185 0.00750 -0.00578 -0.00288 -0.00044 0.00153 0.00019 -0.00194 -0.00022 -0.00238 0.00022 -0.03882 -0.03009 -0.01155 -0.00013 0.01907 0.02226 -0.01515 -0.00480 -0.03371 0.00792 -0.05609 -0.04764 -0.01273 -0.00157 0.02970 0.03636 -0.03644 -0.00501 -0.06063 0.01051 -0.02683 -0.01556 -0.00280 0.01105 0.02390 0.09652 -0.03991 0.15584 -0.14026 0.08976 -0.03595 -0.02327 0.00456 -0.01118 0.00888 0.13815 -0.30964 -0.20944 -0.35399 -0.24219 -0.00226 -0.00453 0.00157 0.00028 0.00099 0.00305 -0.00111 0.00008 -0.00547 0.00162 0.00508 0.00034 0.00065 -0.00029 -0.00093 -0.00153 -0.00039 0.00019 0.00138 -0.00071 -0.00480 -0.00673 -0.00087 -0.00006 0.00212 0.00146 -0.00134 -0.00281 -0.00312 -0.00060 0.02242 -0.04275 -0.01818 -0.00310 0.00279 -0.00717 0.00647 0.00237 0.01866 -0.00058 0.03560 -0.07006 -0.02812 -0.00588 0.00322 -0.02293 0.00640 0.00042 0.03213 -0.00284 0.02242 -0.03734 -0.01868 0.00777 0.00947 0.00927 0.04086 0.12873 0.05246 0.09444 -0.01843 -0.04367 -0.00484 -0.01115 0.00664 0.02079 -0.07656 0.70826 0.09033 -0.20010 -0.00625 -0.00642 0.00140 0.00004 0.00140 -0.00041 -0.00064 -0.00019 0.00048 -0.00104 0.00209 0.00294 0.00106 0.00067 -0.00083 -0.00026 0.00099 0.00176 -0.00319 0.00060 -0.00281 0.00098 0.00171 0.00044 0.00032 0.00052 0.00101 0.00236 0.00153 0.00009 -0.04856 -0.00832 0.03302 0.00365 -0.00132 -0.00868 0.01009 0.00096 0.01415 -0.00623 -0.07575 -0.01062 0.05580 0.00579 -0.00447 -0.02206 0.02194 -0.00800 0.03093 -0.01783 -0.03625 -0.00121 0.04599 0.00746 -0.00544 -0.01153 0.04691 0.21632 0.03670 0.14642 -0.00935 -0.03128 0.02397 -0.02027 0.00269 0.00470 0.03185 0.45009 0.31274 0.25630 -0.00520 -0.00769 0.00023 0.00004 0.00322 0.00193 0.00084 -0.00044 0.00043 -0.00007 -0.00266 -0.00117 0.00076 -0.00005 0.00003 -0.00028 -0.00047 -0.00278 0.00056 -0.00292 0.00188 -0.00296 -0.00040 -0.00024 0.00039 -0.00044 0.00008 0.00057 0.00231 0.00090 -0.00749 0.01278 0.00325 0.00086 -0.00678 -0.00359 0.00114 0.00855 0.00355 0.01076 -0.01206 0.02053 0.00520 0.00142 -0.01093 -0.00587 0.00201 0.01369 0.00562 0.01727 -0.00043 -0.06922 -0.00412 0.00259 0.01436 0.00921 0.00068 0.00454 -0.00785 0.01160 0.09018 -0.08047 -0.02267 -0.00425 0.03494 0.01190 -0.00340 0.00602 -0.00596 0.01380 0.00538 -0.04853 -0.00689 0.00393 -0.00026 -0.00199 0.01321 0.00184 0.00408 0.00024 0.03324 -0.05593 -0.01339 -0.00528 0.03263 0.02039 -0.01113 -0.03647 -0.01285 -0.04811 0.00212 -0.09982 -0.00656 0.00356 0.01894 0.01159 0.00165 0.00797 -0.00741 0.01947 0.12950 -0.11895 -0.03158 -0.00700 0.05234 0.01772 -0.00828 0.01129 -0.00459 0.02288 0.00812 -0.07060 -0.01080 0.00526 -0.00050 -0.00215 0.01696 0.00185 0.00298 0.00088 0.02610 -0.05992 -0.02002 0.00767 0.01297 -0.01498 0.03232 -0.17831 -0.09675 -0.20359 -0.00593 -0.08666 -0.00241 0.00364 0.01679 0.00691 0.00139 -0.01370 -0.01210 -0.00800 0.11243 -0.10278 -0.03836 0.00173 0.03513 0.00309 0.01861 0.00524 -0.04477 0.01560 0.00614 -0.05643 -0.00610 0.01083 -0.00719 0.00341 0.04847 -0.01485 -0.01163 -0.01195 -0.02243 0.06974 0.04022 0.06199 0.04020 0.19877 -0.22712 -3.16930 -0.72107 -3.08657 -0.02281 0.00192 0.00370 0.00298 0.00692 -0.01126 -0.01824 0.23682 -0.01619 0.23741 0.00225 0.02907 0.01077 0.02545 0.01675 0.07740 -0.07370 -0.36576 -0.02531 0.18221 -0.00173 0.02622 0.01095 0.02104 -0.01249 0.03925 0.09585 -0.18740 -0.13215 -0.06264 0.00365 0.00330 -0.00094 -0.00047 0.00149 0.00473 -0.00442 -0.00027 -0.00759 0.00184 0.01154 0.00351 -0.00253 -0.00064 0.00130 0.00244 -0.00210 -0.00149 -0.00589 -0.00060 0.00185 -0.00640 -0.00032 -0.00028 0.00296 0.00651 -0.00693 -0.00306 -0.01347 0.00040 0.00696 0.00715 -0.00212 -0.00050 -0.00033 0.00123 -0.00052 0.00054 -0.00075 0.00076 0.00657 -0.00138 -0.00211 -0.00023 -0.00141 -0.00684 0.00420 0.00119 0.01401 -0.00300 -0.03259 0.02548 0.00503 0.00270 -0.01887 -0.02045 0.01704 0.00482 0.03529 -0.00750 -0.05063 0.03935 0.00847 0.00264 -0.02866 -0.03821 0.02528 0.00658 0.07483 -0.03054 -0.02803 0.01533 -0.00172 -0.00007 -0.02448 -0.09850 0.04164 0.24605 0.19588 0.30283 -0.02411 0.01938 0.01181 0.01975 0.01628 -0.12944 0.14876 0.97897 0.67839 1.43938 -0.00236 -0.00294 0.00019 0.00037 -0.00015 0.00118 -0.00004 -0.00165 -0.00288 -0.00275 0.00427 -0.00398 -0.00107 -0.00053 0.00221 0.00292 -0.00338 -0.00144 -0.00456 -0.00132 0.00403 -0.00606 -0.00097 -0.00004 0.00207 0.00137 -0.00133 0.00318 -0.00173 0.00591 0.02953 0.04756 -0.00303 -0.00500 0.00401 0.00659 -0.00926 -0.00197 -0.01265 -0.00004 0.04592 0.07445 -0.00264 -0.00897 0.00639 0.01739 -0.02364 -0.01732 -0.02649 -0.01137 0.02880 0.04339 -0.00794 0.00094 -0.01097 0.00337 0.01274 0.20734 -0.00522 0.25046 -0.01203 0.05020 0.00262 0.03436 0.00163 -0.01130 0.11528 0.95434 -0.20839 1.51602 0.00193 -0.00077 -0.00003 -0.00076 0.00172 0.00002 -0.00224 -0.00173 0.00108 -0.00310 0.00530 -0.00673 -0.00167 0.00048 0.00075 -0.00035 0.00264 0.00205 0.00039 0.00245 0.00266 0.00139 -0.00053 -0.00045 0.00037 -0.00025 -0.00032 -0.00219 0.00079 -0.00323 -0.05094 0.00265 0.01152 0.00247 -0.00379 0.00899 -0.00705 -0.00363 -0.02093 0.00410 -0.07883 0.00251 0.01816 0.00393 -0.00349 0.02418 -0.01639 -0.01704 -0.04817 -0.00225 -0.03737 -0.00080 0.00692 0.00663 -0.01044 0.01941 0.00722 0.19538 -0.04501 0.29173 -0.00372 0.02740 0.02489 0.01744 0.00231 0.06604 -0.04550 -0.05606 -0.08697 0.75415 0.00470 -0.00523 -0.00121 -0.00001 0.00162 0.00034 0.00092 0.00281 0.00032 0.00403 0.00214 -0.00523 -0.00083 -0.00024 0.00296 0.00187 -0.00049 -0.00103 0.00100 -0.00154 -0.00236 -0.00295 -0.00009 0.00038 -0.00017 -0.00044 0.00156 -0.00066 0.00080 -0.00135 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 2 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 12 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 H 1S 2S 3S 4S 5PX 5PY 5PZ 16 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 17 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 18 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 19 H 1S 2S 3S 4S 5PX 5PY 5PZ 20 H 1S 2S 3S 4S 5PX 5PY 5PZ 21 H 1S 2S 3S 4S 5PX 5PY 5PZ 22 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 23 H 1S 2S 3S 4S 5PX 5PY 5PZ 24 H 1S 2S 3S 4S 5PX 5PY 5PZ 25 H 1S 2S 3S 4S 5PX 5PY 5PZ 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|2 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|12 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 H 1S|2S|3S|4S|5PX|5PY|5PZ|16 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|17 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|18 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|19 H 1S|2S|3S|4S|5PX|5PY|5PZ|20 H 1S|2S|3S|4S|5PX|5PY|5PZ|21 H 1S|2S|3S|4S|5PX|5PY|5PZ|22 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|23 H 1S|2S|3S|4S|5PX|5PY|5PZ|24 H 1S|2S|3S|4S|5PX|5PY|5PZ|25 H 1S|2S|3S|4S|5PX|5PY|5PZ 1.10446 0.88466 0.23852 0.23030 0.16488 0.75846 0.53067 0.52446 0.42090 0.46157 0.18080 0.24614 0.36123 -0.11690 0.10521 0.05191 0.02055 0.00412 0.00935 0.00536 0.01727 0.02411 1.10445 0.88470 0.23634 0.23546 0.16114 0.75704 0.53683 0.54793 0.41701 0.46246 0.16087 0.18386 0.37527 -0.00399 -0.01179 -0.01883 -0.01103 0.00370 0.00879 0.00558 0.01754 0.01815 1.10452 0.88475 0.21891 0.23783 0.16909 0.76403 0.50608 0.54352 0.44036 0.40805 0.06814 0.22480 0.33227 0.19571 0.23528 0.13737 0.15102 0.00602 0.01471 0.01093 0.03037 0.03650 1.10436 0.88483 0.23383 0.23451 0.17167 0.75804 0.53328 0.53463 0.44826 0.39160 0.18709 0.17424 0.36326 -0.33727 -0.14782 -0.01262 -0.10555 0.00482 0.01098 0.00922 0.02193 0.02436 1.10442 0.88467 0.22994 0.23946 0.16890 0.75743 0.52428 0.52966 0.43071 0.44988 0.17545 0.22880 0.35671 0.12984 -0.11126 0.13529 0.03223 0.00405 0.00844 0.00704 0.01902 0.01999 1.10440 0.88469 0.23064 0.23987 0.16886 0.75536 0.52106 0.53420 0.43246 0.44691 0.25544 0.15034 0.36495 0.17327 0.09329 0.02697 0.00868 0.00373 0.00409 0.01109 0.02257 0.01698 0.27335 0.48826 0.03515 -0.04763 0.00639 0.01246 0.00556 1.10446 0.88463 0.24211 0.23143 0.16205 0.76190 0.53495 0.52696 0.41612 0.44492 0.18136 0.21541 0.33823 -0.74817 -0.08168 0.05148 0.03489 0.00430 0.01027 0.00572 0.01690 0.02269 0.27170 0.49285 0.03317 -0.02572 0.00725 0.01163 0.00582 0.27221 0.49349 0.02228 -0.04778 0.01435 0.00423 0.00594 1.10437 0.88468 0.23886 0.23132 0.17277 0.75276 0.53004 0.52492 0.44123 0.46769 0.18312 0.23777 0.37001 0.46300 0.06204 0.06519 0.00181 0.00416 0.00830 0.00526 0.01609 0.02167 1.10452 0.88464 0.23312 0.23403 0.16351 0.76473 0.52907 0.51441 0.41828 0.44624 0.24019 0.09022 0.32840 -0.20951 0.05596 0.01464 0.02778 0.00477 0.00560 0.01661 0.03645 0.02432 0.27146 0.49155 0.02335 -0.05682 0.00694 0.01219 0.00532 0.27129 0.49178 0.01919 -0.03794 0.00696 0.01188 0.00585 0.27394 0.49448 0.02490 -0.06325 0.01431 0.00307 0.00517 1.09562 0.89552 0.25800 0.30187 0.20858 0.88812 0.58620 0.65815 0.49113 0.78478 0.28391 0.36994 0.43057 -0.13238 -0.09569 -0.11015 -0.05551 0.00379 0.00501 0.00602 0.01305 0.00749 1.13284 0.85397 0.16615 0.19713 0.08768 0.66555 0.34834 0.41227 0.20511 0.33624 0.06113 0.05486 0.04076 0.01400 -0.01901 0.00973 0.04215 0.01349 0.01850 0.02093 0.03028 0.03380 1.10421 0.88493 0.22531 0.21333 0.21272 0.72529 0.53517 0.50215 0.50766 0.50808 0.36726 0.34994 0.35532 0.15262 -0.02862 0.02878 0.00435 0.00242 0.00800 0.00959 0.00824 0.00290 0.26263 0.47789 0.04448 0.01209 0.01064 0.00542 0.00880 0.26966 0.47800 0.06165 -0.01401 0.00631 0.00880 0.00891 0.26853 0.48416 0.06729 0.01651 0.00631 0.01136 0.00618 1.10421 0.88494 0.21489 0.22452 0.21162 0.72372 0.50828 0.53035 0.50449 0.52030 0.37218 0.37267 0.34929 0.17706 0.00937 -0.01849 0.00236 0.00276 0.01103 0.00592 0.00341 0.00751 0.26299 0.48242 0.04559 0.01197 0.00730 0.00855 0.00890 0.26990 0.47598 0.06663 0.00886 0.00857 0.00618 0.00897 0.26763 0.47937 0.05492 0.00881 0.00884 0.00912 0.00612 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 C C C C C C H C H H C C H H H N B C H H H C H H H -0.228058 -0.071489 -0.720253 0.512341 -0.324946 -0.449866 0.226470 0.639075 0.203301 0.235272 -0.787053 0.072031 0.246007 0.230981 0.247375 0.105995 0.274106 -0.679651 0.178055 0.180680 0.139639 -0.722395 0.172279 0.154913 0.165190 -0.00000 alpha 41 42 43 44 45 46 47 48 49 50 O O O O O V V V V V -0.389987 -0.383990 -0.341778 -0.331784 -0.310799 -0.004582 0.036761 0.038292 0.044137 0.046460 1.432098 1.235097 1.841737 1.160391 1.235373 1.292905 1.264715 0.148790 1.042199 0.151241 5.037462388153D+02 -1.2739 2.1238 0.2070 2.4852 -65.6141 -62.6472 -81.5060 -2.8885 -2.8836 -0.5562 4.3083 7.2752 -11.5835 -2.8885 -2.8836 -0.5562 437.9393 -146.0344 4.9248 142.4476 -49.9346 13.0109 180.1377 -80.8836 2.0206 -1.6934 -2944.0847 -2153.6848 -190.4436 340.7908 -45.6572 309.3317 0.1860 27.7258 19.8995 -851.9668 -634.3087 -475.6217 13.9041 -19.6863 168.3932 GINC-IRENE3395 ZOUBRITL 2021-03-25T00:00:00.000 0 Napht_Me-NBO 0 1 Version=ES64L-G16RevC.01 HF=-505.9758986 RMSD=2.507e-09 Dipole=-0.5012084,0.8355691,0.0814399 Quadrupole=3.2031304,5.4089475,-8.6120779,-2.1475277,-2.1439215,-0.4135038 PG=C01 [X(C11H12B1N1)] 0 -4.0036426529 0.0568654816 0.1848435337 0 -2.6353926067 0.0659867941 0.0022101043 0 -1.9863377988 1.3383124504 -0.0894521977 0 -2.7414572592 2.5344826128 0.039911314 0 -4.1386342441 2.4595094354 0.2661020544 0 -4.7573850333 1.2428018305 0.334919599 0 -4.528052693 -0.8929354186 0.2317468733 0 -2.0590301381 3.768586502 -0.0745335277 0 -4.7047585488 3.3795525076 0.3709718576 0 -5.8275439094 1.1815240137 0.4976731022 0 -0.7133198789 3.7706646418 -0.3103772622 0 -0.0523504404 2.5284077101 -0.4371512923 0 -2.6144656255 4.6962325584 0.0215101912 0 -0.153763872 4.6930890881 -0.4061911228 0 1.017228473 2.5095600836 -0.6333319126 0 -0.6456867079 1.3649539651 -0.3372777811 0 -1.8611892225 -1.306989494 -0.0038133186 0 -0.5046214505 -1.5031704641 0.7618606141 0 0.2938996499 -1.3849032446 0.0161503777 0 -0.3084747851 -0.7617073159 1.5387300275 0 -0.4041091197 -2.5133931306 1.1730670995 0 -2.5164870043 -2.5533376128 -0.7125841626 0 -3.0577484759 -3.1194460541 0.0607895189 0 -3.2349040932 -2.3136989532 -1.5002643402 0 -1.7639674729 -3.2434395073 -1.1068310295