Gaussian 16 GINC-IRENE5455 PENASFRA no2_nmeimidazole_h2 AS64L-G16RevC.02 6-Jun-2023 Gaussian 16 7-Dec-2021 AS64L-G16RevC.02 RwB97XD GenECP FOpt # opt freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm pop=(regular,orbitals=20) optcyc=300 scfcyc=300 178.87820000000002 0 1 AuxInfo=1/0/N:1,2,13,4,7,6,5,15,16,19,20,17,18/E:(8,9)(10,11,12,13)/CRV:2.3,3.3,4.3,5.4,10.1,11.1,12.1,13.1/rA:20nCC3HC3NNB4HHHHHC3HNNO1O1O1O1/rB:;s2;s2;s1s2;s4;s4;s6;s7;s1;s1;s1;s5s6;s13;s7;s7;s16;s16;s15;s15;/rC:4.0658,-.0062,-.7186;1.552,-.0081,-.8035;1.5114,-.0172,-1.8796;.57,.0006,.1346;2.7403,-.0034,-.1116;1.1499,.0105,1.3869;-.9796,.0034,.3231;-.1394,.0202,1.8727;-1.0735,.0217,1.6733;4.1932,.8869,-1.3289;4.8143,-.0119,.0743;4.1863,-.8962,-1.335;2.4596,.0077,1.2089;3.2163,.0128,1.9751;-1.78,-1.2798,-.0943;-1.772,1.279,-.1313;-1.71,1.5638,-1.3139;-2.3903,1.9209,.6999;-1.6563,-1.653,-1.2466;-2.4743,-1.8368,.7388; /ccc/products/gaussian-16-C.02/system/default/g16/g16 Output=no2_nmeimidazole_h2.log nprocshared=128 mem=30GB chk=no2_nmeimidazole_h2.chk # opt freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm pop=(regula 1/6=300,18=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=300,18=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=300,18=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 no2_nmeimidazole_h2 Add virtual bond connecting atoms H9 and H8 Dist= 1.81D+00. Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 1 1 1 1 2 2 2 4 4 5 6 7 7 7 8 13 15 15 16 16 5 10 11 12 3 4 5 6 7 13 13 9 15 16 9 14 19 20 17 18 1.4578 1.0893 1.0903 1.0892 1.0769 1.3581 1.3752 1.3801 1.561 1.35 1.3218 1.3536 1.5689 1.5689 0.9552 1.0769 1.2175 1.2192 1.218 1.2187 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 5 5 5 10 10 11 3 3 4 2 2 6 1 1 2 4 4 4 4 9 9 15 7 5 5 6 7 7 19 7 7 17 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 7 7 7 7 7 9 13 13 13 15 15 15 16 16 16 10 11 12 11 12 12 4 5 5 6 7 7 2 13 13 13 9 15 16 15 16 16 8 6 14 14 19 20 20 17 18 18 109.7595 108.7438 109.7374 109.3558 109.8717 109.3519 131.5381 122.3672 106.0948 108.8494 143.2393 107.9113 125.185 126.6074 108.2074 107.1036 100.9156 118.2169 117.9009 103.9431 104.0541 109.2844 98.0637 109.7448 123.3557 126.8994 116.7845 118.8451 124.3703 116.4596 119.1402 124.3969 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 10 10 11 11 12 12 3 3 5 5 3 3 4 4 2 7 2 2 2 6 6 6 1 1 2 2 4 4 4 15 16 4 4 9 9 16 16 4 4 9 9 15 15 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 13 13 13 13 13 13 9 9 9 15 15 15 15 15 15 16 16 16 16 16 16 2 13 2 13 2 13 6 7 6 7 1 13 1 13 13 13 9 15 16 9 15 16 6 14 6 14 5 14 8 8 8 19 20 19 20 19 20 17 18 17 18 17 18 61.0043 -118.8046 -179.4057 0.7853 -59.8336 120.3574 179.9886 -0.0116 0.0036 -179.9966 0.1773 -179.9842 -179.836 0.0025 -0.0085 179.9916 -179.7014 67.8427 -67.2466 0.2984 -112.1575 112.7532 179.8275 -0.201 -0.0081 179.9634 0.0101 -179.9601 -0.2403 122.7175 -122.8932 -56.9773 122.8684 -167.7487 12.097 81.6446 -98.5097 61.6407 -117.7209 172.3379 -7.0237 -77.1291 103.5092 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 71 out of a maximum of 120 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00040 0.00061 0.00336 0.00704 0.01180 0.01602 0.01929 0.02442 0.02625 0.03903 0.04452 0.04987 0.05548 0.06307 0.06937 0.07665 0.07683 0.07826 0.12957 0.13681 0.15892 0.16021 0.16154 0.16298 0.16470 0.21295 0.22592 0.23337 0.24439 0.24964 0.25660 0.26446 0.27939 0.30163 0.31650 0.32712 0.34307 0.34870 0.34917 0.35042 0.36550 0.36624 0.37956 0.47522 0.48173 0.54038 0.58790 0.62561 0.74956 0.93439 0.96491 0.96742 1.35635 12.29522 -4.73019072e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 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 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 2.75471 2.05831 2.05619 2.05815 2.03194 2.57605 2.61119 2.61310 3.02396 2.50940 2.50764 2.26458 3.01483 2.99809 5.82411 2.03490 2.33487 2.28956 2.32107 2.30118 1.91051 1.90412 1.90860 1.91168 1.91816 1.91068 2.26863 2.12635 1.88807 1.82617 2.34889 2.10578 2.18751 2.19970 1.89594 1.93489 1.96776 1.88090 1.97256 1.86032 1.88136 1.89668 1.12858 1.87965 2.19775 2.20575 2.01049 2.13828 2.13440 2.09535 2.05067 2.13681 1.08031 -2.07128 -3.11125 0.02035 -1.02199 2.10961 3.12690 -0.09123 0.00358 3.06864 0.01085 -3.12221 3.13596 0.00290 -0.00903 -3.08728 -1.85579 2.37927 0.28324 1.19970 -0.84843 -2.94446 -3.14147 -0.00793 -0.00848 3.12506 0.01105 -3.12244 -0.79488 1.26537 -2.98424 0.99006 -2.14605 -1.12650 2.02057 3.13336 -0.00276 0.13386 -2.97978 2.32037 -0.79328 -1.95311 1.21643 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00002 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 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00004 -0.00000 0.00000 -0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -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 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00002 0.00002 -0.00002 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00002 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00003 -0.00003 -0.00001 0.00000 -0.00002 0.00003 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00003 0.00010 0.00002 0.00009 0.00003 0.00010 0.00008 0.00011 0.00001 0.00004 -0.00001 -0.00007 0.00005 -0.00001 0.00000 -0.00003 -0.00005 -0.00004 -0.00006 -0.00001 -0.00001 -0.00002 -0.00005 -0.00008 0.00001 -0.00002 -0.00001 0.00003 0.00001 -0.00002 0.00002 0.00004 0.00011 0.00002 0.00009 0.00002 0.00009 -0.00025 -0.00020 -0.00024 -0.00019 -0.00022 -0.00018 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 -0.00000 0.00000 0.00004 0.00000 0.00001 -0.00008 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00002 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00004 0.00002 -0.00003 0.00001 0.00001 -0.00007 0.00000 -0.00007 0.00000 -0.00006 0.00001 0.00003 0.00004 0.00001 0.00003 0.00004 -0.00003 0.00005 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00002 0.00000 -0.00000 -0.00000 -0.00005 -0.00007 0.00001 -0.00001 -0.00000 0.00002 -0.00000 0.00001 0.00000 -0.00009 -0.00007 -0.00008 -0.00006 -0.00008 -0.00006 0.00000 -0.00001 -0.00001 -0.00003 -0.00002 -0.00003 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00002 -0.00001 0.00001 0.00004 -0.00000 0.00002 -0.00006 0.00000 -0.00004 0.00003 -0.00002 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00003 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00002 -0.00000 0.00002 -0.00002 -0.00001 0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00001 -0.00001 0.00003 -0.00004 0.00001 -0.00002 0.00001 0.00000 -0.00004 0.00010 -0.00005 0.00009 -0.00004 0.00011 0.00010 0.00015 0.00002 0.00006 0.00002 -0.00010 0.00010 -0.00003 -0.00001 -0.00005 -0.00006 -0.00006 -0.00007 -0.00001 -0.00001 -0.00002 -0.00010 -0.00016 0.00002 -0.00003 -0.00001 0.00004 0.00001 -0.00000 0.00002 -0.00005 0.00004 -0.00006 0.00003 -0.00005 0.00003 -0.00025 -0.00021 -0.00025 -0.00021 -0.00024 -0.00021 2.75470 2.05832 2.05619 2.05815 2.03194 2.57605 2.61120 2.61311 3.02394 2.50939 2.50765 2.26462 3.01483 2.99811 5.82405 2.03490 2.33483 2.28959 2.32105 2.30120 1.91051 1.90411 1.90861 1.91167 1.91815 1.91069 2.26866 2.12633 1.88805 1.82617 2.34890 2.10577 2.18751 2.19969 1.89595 1.93489 1.96778 1.88089 1.97256 1.86032 1.88134 1.89670 1.12860 1.87965 2.19776 2.20574 2.01052 2.13824 2.13442 2.09534 2.05068 2.13681 1.08027 -2.07118 -3.11131 0.02043 -1.02202 2.10972 3.12700 -0.09109 0.00360 3.06870 0.01087 -3.12231 3.13606 0.00287 -0.00904 -3.08732 -1.85585 2.37921 0.28317 1.19969 -0.84844 -2.94448 -3.14157 -0.00808 -0.00846 3.12503 0.01104 -3.12240 -0.79487 1.26537 -2.98422 0.99001 -2.14601 -1.12656 2.02060 3.13330 -0.00272 0.13361 -2.97999 2.32012 -0.79349 -1.95335 1.21622 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000041 0.000006 0.000466 0.000085 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.666376e-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 1 1 1 1 2 2 2 4 4 5 6 7 7 7 8 13 15 15 16 16 5 10 11 12 3 4 5 6 7 13 13 9 15 16 9 14 19 20 17 18 1.4577 1.0892 1.0881 1.0891 1.0753 1.3632 1.3818 1.3828 1.6002 1.3279 1.327 1.1984 1.5954 1.5865 3.082 1.0768 1.2356 1.2116 1.2283 1.2177 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 10 10 11 3 3 4 2 2 6 1 1 2 4 4 4 4 9 9 15 7 5 5 6 7 7 19 7 7 17 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 7 7 7 7 7 9 13 13 13 15 15 15 16 16 16 10 11 12 11 12 12 4 5 5 6 7 7 2 13 13 13 9 15 16 15 16 16 8 6 14 14 19 20 20 17 18 18 109.4642 109.0979 109.3546 109.531 109.9025 109.474 129.9828 121.8308 108.1782 104.6318 134.5814 120.6523 125.335 126.0337 108.6293 110.8609 112.7443 107.7678 113.0195 106.5884 107.7938 108.6717 64.663 107.6963 125.9218 126.3802 115.1926 122.5143 122.2924 120.0549 117.4946 122.4302 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 10 11 11 12 12 3 3 5 5 3 3 4 4 2 7 2 2 2 6 6 6 1 1 2 2 4 4 4 15 16 4 4 9 9 16 16 4 4 9 9 15 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 13 13 13 13 13 13 9 9 9 15 15 15 15 15 15 16 16 16 16 16 2 13 2 13 2 13 6 7 6 7 1 13 1 13 13 13 9 15 16 9 15 16 6 14 6 14 5 14 8 8 8 19 20 19 20 19 20 17 18 17 18 17 61.8971 -118.6756 -178.2615 1.1657 -58.5555 120.8718 179.1581 -5.2272 0.2053 175.8199 0.6217 -178.8895 179.6773 0.1661 -0.5176 -176.8879 -106.3289 136.3221 16.2284 68.7375 -48.6114 -168.7052 -179.9927 -0.4543 -0.4858 179.0526 0.6329 -178.9028 -45.543 72.5005 -170.9841 56.7264 -122.9596 -64.5437 115.7703 179.5281 -0.158 7.6699 -170.7288 132.9472 -45.4514 -111.9051 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 7 No pseudopotential on this center. 7 5 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 1 No pseudopotential on this center. 13 6 No pseudopotential on this center. 14 1 No pseudopotential on this center. 15 7 No pseudopotential on this center. 16 7 No pseudopotential on this center. 17 8 No pseudopotential on this center. 18 8 No pseudopotential on this center. 19 8 No pseudopotential on this center. 20 8 No pseudopotential on this center. 20 20 20 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 178.87820000000002 AuxInfo=1/0/N:1,2,13,4,7,6,5,15,16,19,20,17,18/E:(8,9)(10,11,12,13)/CRV:2.3,3.3,4.3,5.4,10.1,11.1,12.1,13.1/rA:20nCC3HC3NNB4HHHHHC3HNNO1O1O1O1/rB:;s2;s2;s1s2;s4;s4;s6;s7;s1;s1;s1;s5s6;s13;s7;s7;s16;s16;s15;s15;/rC:4.0658,-.0062,-.7186;1.552,-.0081,-.8035;1.5114,-.0172,-1.8796;.57,.0005,.1346;2.7404,-.0034,-.1116;1.1499,.0105,1.3869;-.9795,.0034,.3231;-.1394,.0202,1.8727;-1.0735,.0217,1.6733;4.1933,.8869,-1.3289;4.8143,-.0119,.0743;4.1863,-.8962,-1.335;2.4596,.0077,1.2089;3.2163,.0128,1.9751;-1.78,-1.2798,-.0943;-1.772,1.279,-.1313;-1.71,1.5638,-1.3139;-2.3903,1.9209,.6999;-1.6563,-1.653,-1.2466;-2.4743,-1.8368,.7388; 0.000000 2.515297 0.000000 2.805882 1.076858 0.000000 3.598439 1.358116 2.223448 0.000000 1.457842 1.375157 2.153184 2.184273 0.000000 3.596693 2.227129 3.286575 1.380050 2.185269 0.000000 5.151788 2.770909 3.325232 1.560974 3.745217 2.380381 0.000000 4.939566 3.166024 4.099548 1.877361 3.497281 1.377783 1.762793 0.000000 5.668773 3.609568 4.393954 2.251499 4.210978 2.241797 1.353647 0.955166 0.000000 1.089265 2.837872 2.883200 4.006938 2.094159 4.172057 5.501589 5.456497 6.123814 0.000000 1.090337 3.378333 3.837489 4.244691 2.082232 3.892451 5.799158 5.270097 6.101148 1.778370 0.000000 1.089230 2.830291 2.867717 4.005132 2.093858 4.177366 5.499446 5.462618 6.128436 1.783119 1.778298 0.000000 2.509032 2.207677 3.230829 2.173610 1.350043 1.321777 3.551390 2.682461 3.563551 3.196711 2.613818 3.204611 0.000000 2.824546 3.239062 4.215025 3.223443 2.140391 2.148551 4.509409 3.357304 4.300473 3.554599 2.483365 3.567042 1.076949 0.000000 6.015395 3.636206 3.951558 2.685899 4.697093 3.527421 1.568927 2.872358 2.305943 6.472894 6.717114 6.105922 4.618415 5.560236 0.000000 6.006398 3.627289 3.939241 2.681433 4.691079 3.528631 1.568899 2.875021 2.307650 6.096895 6.714707 6.456070 4.617193 5.560892 2.559067 0.000000 6.014928 3.656724 3.632775 3.120956 4.869004 4.229177 2.376540 3.873471 3.421511 5.941931 6.853878 6.388846 5.115782 6.123065 3.094886 1.218024 0.000000 6.885300 4.639270 5.062974 3.573601 5.539408 4.080951 2.410156 3.170855 2.507634 6.966222 7.485484 7.438248 5.238371 6.058129 3.353761 1.218719 2.155466 0.000000 5.977754 3.632485 3.620929 3.098123 4.831138 4.192499 2.380213 3.851018 3.416125 6.377728 6.804863 5.892060 5.072265 6.074284 1.217499 3.139028 3.217871 4.135212 0.000000 6.946074 4.683328 5.104200 3.606734 5.592570 4.119098 2.406964 3.191523 2.507867 7.493341 7.542843 7.039045 5.288319 6.110040 1.219157 3.310333 4.044949 3.758816 2.155125 0.000000 1.2962121 0.4934557 0.4509223 -14.65870 -14.54431 -14.49279 -10.39476 -10.35772 -10.35110 -10.32895 -6.93366 -1.34552 -1.33945 -1.18201 -1.16927 -1.16637 -1.05017 -0.90160 -0.87702 -0.84147 -0.77468 -0.75520 -0.72790 -0.69281 -0.66603 -0.65009 -0.63587 -0.61976 -0.61091 -0.60787 -0.60519 -0.60132 -0.57143 -0.53489 -0.53179 -0.53137 -0.49987 -0.45963 -0.41247 -0.41001 -0.40461 -0.39750 -0.39132 -0.38835 -0.38304 -0.35067 -0.01709 0.00226 0.02994 0.03555 0.04544 0.05413 0.06693 0.06813 0.07167 0.07479 0.08437 0.08661 0.08814 0.10396 0.10723 0.12196 0.12800 0.13557 0.14768 0.15412 0.15542 0.15742 0.16537 0.16835 0.17000 0.18181 0.18391 0.18492 0.19603 0.19862 0.20063 0.21073 0.21398 0.22671 0.22783 0.23388 0.23908 0.24333 0.24791 0.25696 0.26734 0.27076 0.27956 0.28256 0.28826 0.29698 0.30838 0.30913 0.31768 0.31872 0.32659 0.33085 0.33154 0.34059 0.34559 0.34755 0.35717 0.36430 0.36563 0.37663 0.38286 0.38802 0.39093 0.39481 0.40532 0.40948 0.41782 0.42161 0.42586 0.42810 0.43372 0.44996 0.45845 0.46413 0.47802 0.49284 0.51098 0.51597 0.51833 0.52047 0.53973 0.54347 0.56327 0.56546 0.58186 0.58659 0.60118 0.60938 0.62968 0.63730 0.64260 0.66536 0.68321 0.69019 0.69648 0.70806 0.72969 0.74753 0.75907 0.76453 0.78649 0.80773 0.83453 0.83689 0.85927 0.89144 0.89954 0.90590 0.91704 0.94914 0.97052 0.98016 1.00161 1.00312 1.01492 1.02148 1.03952 1.05519 1.06341 1.06880 1.08538 1.09240 1.11949 1.12374 1.15183 1.15553 1.17611 1.18001 1.20548 1.21446 1.21984 1.23831 1.24193 1.24487 1.25682 1.28507 1.28924 1.30114 1.30953 1.32789 1.34548 1.36777 1.37776 1.40779 1.41959 1.42695 1.46085 1.47911 1.49550 1.50845 1.57453 1.60343 1.62004 1.63348 1.63535 1.65961 1.70682 1.72327 1.74685 1.76118 1.76453 1.77071 1.78465 1.81311 1.83291 1.83915 1.85784 1.86101 1.89818 1.90464 1.90546 1.91948 1.92995 1.97029 1.99228 2.01633 2.03350 2.09039 2.09606 2.15297 2.15511 2.20522 2.22982 2.26010 2.27447 2.29861 2.32246 2.34587 2.38167 2.40549 2.41422 2.42835 2.46293 2.51843 2.52341 2.53828 2.54321 2.57532 2.58867 2.62678 2.65053 2.65281 2.69788 2.71979 2.75127 2.77618 2.80936 2.82756 2.86845 2.87293 2.88579 2.88705 2.89701 2.91240 2.92192 2.93850 2.94304 2.95618 2.96936 2.98017 2.99697 3.04813 3.05098 3.06020 3.09316 3.15794 3.20121 3.20389 3.22478 3.25949 3.35090 3.38810 3.43329 3.47556 3.47751 3.54268 3.55215 3.57295 3.62868 3.65784 3.67403 3.69375 3.78901 3.80861 3.82373 3.86975 3.87275 3.87373 3.96406 3.98254 3.99659 4.01614 4.03481 4.13503 4.50309 4.55191 4.61178 4.64882 4.67847 4.84324 5.03802 5.10706 5.14045 5.14218 5.15234 5.17056 5.18804 5.26967 5.29227 5.36648 5.68592 5.74988 6.34832 6.38259 14.71876 23.88436 24.02407 24.04014 24.30223 35.52570 35.53882 35.57877 35.75091 50.01123 50.03469 50.13250 50.13285 44 45 46 47 48 49 50 51 52 53 O|O|O|O|O|V|V|V|V|V -0.39750 -0.39132 -0.38835 -0.38304 -0.35067 -0.01709 0.00226 0.02994 0.03555 0.04544 -0.00005 0.00017 0.00177 -0.00017 -0.00001 -0.00084 -0.00016 -0.02109 0.00039 -0.01360 -0.00007 0.00028 0.00293 -0.00027 -0.00001 -0.00141 -0.00027 -0.03400 0.00062 -0.02218 -0.00340 0.00159 0.01219 -0.00117 -0.00009 -0.00356 -0.00078 0.02460 -0.00055 -0.00902 0.00029 -0.00200 -0.00168 -0.01208 0.01113 0.00006 0.00488 0.00033 0.02186 -0.00021 -0.00436 -0.00028 -0.00824 0.00076 -0.00012 0.00103 0.00027 -0.00505 -0.00025 -0.01811 -0.00036 -0.00085 -0.01013 0.00089 0.00010 0.00526 0.00082 0.08984 -0.00148 0.06313 -0.00513 0.00252 0.01995 -0.00193 -0.00013 -0.00571 -0.00132 0.04661 -0.00097 -0.01470 0.00041 -0.00287 -0.00240 -0.01699 0.01563 0.00007 0.01001 0.00085 0.05452 -0.00023 -0.00602 -0.00054 -0.01285 0.00118 -0.00017 0.00202 0.00049 -0.01008 -0.00036 -0.03165 0.00667 -0.00218 -0.00491 0.00126 -0.00079 -0.00325 0.00312 0.57690 -0.01368 0.38077 -0.00831 0.00260 0.01290 -0.00159 -0.00002 -0.00515 -0.00287 -0.07130 0.00219 -0.15369 0.00045 -0.00308 -0.00275 -0.02282 0.00330 0.00066 0.02288 -0.00047 -0.01749 -0.00165 -0.00624 -0.00049 -0.01070 0.00097 -0.00064 0.00304 0.00060 0.06419 -0.00304 0.01899 0.01848 -0.00531 0.03057 -0.00088 -0.00151 -0.05723 0.01746 7.01811 -0.12275 5.03473 -0.01236 0.00337 -0.00976 0.00013 -0.00014 0.02133 -0.00855 -0.54110 -0.01132 -0.46361 0.00004 -0.00022 -0.00013 -0.00667 -0.01273 0.00023 0.09335 0.00626 0.27353 -0.00363 -0.01126 0.00379 0.00314 -0.00029 -0.00100 -0.00652 -0.00409 0.17086 -0.02313 -0.07251 0.00041 0.00003 0.00081 -0.00007 0.00002 0.00101 -0.00006 0.00106 -0.00000 -0.00167 -0.00134 0.00019 0.00025 0.00001 -0.00004 -0.00105 0.00018 -0.00326 0.00023 0.00310 -0.00011 -0.00006 0.00033 0.00201 -0.00739 0.00002 0.00549 0.00028 0.01343 -0.00017 -0.00066 -0.00009 -0.00169 0.00018 0.00001 -0.00095 0.00002 0.00410 0.00003 0.00225 0.00008 -0.00049 -0.00044 -0.00332 0.00491 0.00006 -0.00466 -0.00035 -0.02232 -0.00012 -0.00469 0.00045 -0.00112 0.00010 0.00002 -0.00526 0.00017 -0.00929 -0.00003 0.00248 -0.00777 0.00076 -0.00187 0.00016 0.00003 -0.00866 0.00027 -0.01564 -0.00005 0.00426 -0.01263 0.00155 0.00044 -0.00003 0.00006 -0.00652 0.00040 0.00129 -0.00039 0.00381 0.00210 0.02637 0.00676 0.07090 0.14188 -0.00068 -0.05856 -0.00166 -0.08450 0.00186 0.00644 -0.00089 0.00169 -0.00062 -0.00119 0.00676 0.00014 -0.00776 0.00106 -0.01879 0.02293 -0.00208 0.00830 -0.00079 -0.00016 0.02699 -0.00105 0.06379 0.00001 -0.02037 -0.02068 0.00246 0.00053 0.00010 0.00010 -0.00927 0.00017 0.00264 -0.00045 -0.00953 0.00327 0.04225 0.01116 0.11743 0.22942 -0.00124 -0.09133 -0.00243 -0.12524 0.00303 0.01122 -0.00148 0.00358 -0.00112 -0.00190 0.00940 0.00030 -0.00747 0.00151 -0.02371 0.06192 -0.00293 -0.01287 0.00169 0.00047 0.04375 -0.00635 -0.03482 0.00521 -0.11524 -0.00704 0.00093 0.01454 -0.00088 0.00035 0.02881 0.00334 -0.05567 0.00073 0.12790 0.00362 0.03936 0.00862 0.09206 0.21288 -0.00156 -0.16341 -0.00595 -0.28028 0.00396 0.02259 -0.00094 -0.00115 -0.00041 -0.00154 0.01843 -0.00244 -0.08651 0.00616 -0.21862 0.73054 -0.12663 0.55952 -0.06583 0.01218 -0.03345 0.25282 2.09474 0.18906 -2.69094 -0.11252 0.03005 -0.06041 0.00609 -0.00385 0.02448 -0.06122 -1.10549 -0.05333 0.08571 0.00266 0.00858 0.00197 0.00667 0.03047 -0.00262 -0.19439 -0.01360 -0.21901 -0.01459 0.15666 -0.02687 0.08355 -0.01164 0.00211 -0.11551 0.03958 -0.48539 0.06184 -1.97826 0.00419 -0.00106 -0.00504 0.00047 -0.00016 0.00461 0.00026 -0.00145 -0.00011 0.00327 -0.00316 0.00069 0.00246 -0.00021 0.00009 -0.00113 -0.00027 0.00086 -0.00005 -0.00008 0.00018 0.00208 0.00055 0.00683 0.01135 0.00001 0.00392 0.00017 0.00964 -0.00018 -0.00184 0.00040 0.00162 -0.00028 -0.00013 -0.00357 0.00001 0.00044 -0.00005 0.00165 -0.00034 -0.00106 0.00034 0.00133 -0.01344 -0.00018 -0.00151 0.00018 0.01634 0.00055 0.00195 -0.00063 -0.00424 0.00034 -0.00003 0.00395 0.00032 0.00399 -0.00002 0.00740 0.00652 -0.00117 -0.00389 0.00034 0.00004 0.01257 0.00064 0.01517 -0.00005 0.02475 0.00501 0.00104 0.00031 -0.00102 -0.00064 0.00853 -0.00195 -0.22139 0.00518 -0.36496 0.03450 -0.00523 0.00112 -0.00245 0.00078 -0.06083 0.00121 -0.88115 0.02124 -1.85143 -0.00121 0.00016 -0.00022 0.00001 0.00000 -0.00029 0.00004 0.00009 -0.00001 -0.00277 0.00017 0.00221 0.00059 0.00610 0.01219 -0.00011 -0.00810 -0.00018 -0.01322 0.00032 0.00013 0.00011 0.00154 -0.00024 -0.00012 0.00011 0.00001 0.00690 0.00004 0.00134 0.00991 -0.00193 -0.00628 0.00091 0.00005 0.01017 0.00066 -0.00073 -0.00018 0.00387 0.01615 -0.00313 -0.01010 0.00150 0.00007 0.01621 0.00108 -0.00145 -0.00029 0.00633 0.04513 -0.00947 -0.03620 0.00440 0.00032 0.03694 0.00176 -0.00308 -0.00026 -0.00085 0.00229 0.01965 0.00302 0.04414 0.13872 0.00051 0.03284 0.00065 0.00959 -0.00275 -0.00193 -0.00182 -0.01800 0.00143 -0.00112 0.00161 -0.00051 0.00520 -0.00018 -0.00265 -0.04407 0.00814 0.02618 -0.00432 -0.00013 -0.04394 -0.00292 0.01110 0.00070 -0.01559 0.06273 -0.01331 -0.05639 0.00720 0.00028 0.04547 0.00185 0.00296 -0.00050 -0.00512 0.00389 0.03263 0.00468 0.07006 0.22419 0.00051 0.04959 0.00112 0.02041 -0.00436 -0.00300 -0.00317 -0.02864 0.00240 -0.00180 0.00464 -0.00071 0.00260 -0.00010 0.00181 -0.05733 0.01879 0.08782 -0.00850 -0.00198 -0.09730 -0.00514 0.02206 0.00308 0.03198 0.02335 -0.01235 -0.04235 0.00314 0.00121 0.10767 0.01151 -0.04708 -0.00199 0.15341 0.00371 0.02636 0.00430 0.05949 0.21493 0.00350 0.08412 0.00174 0.01735 -0.00888 0.02348 -0.00067 -0.03008 0.00187 -0.00223 0.01234 -0.00537 0.04796 0.00004 -0.16938 -0.58739 0.12563 -0.45760 0.05576 -0.01030 1.22173 -0.24184 1.36629 -0.20640 -2.20183 -0.24127 0.03854 -0.09151 0.01323 -0.00176 -0.02382 -0.00558 0.75850 -0.07210 0.61637 -0.00178 -0.01350 0.00054 -0.00030 0.00985 0.00566 0.34539 0.03556 0.27594 -0.01512 0.15756 -0.02159 0.19083 -0.02508 0.00192 0.33331 0.06875 2.16236 0.02492 -2.04707 0.00317 -0.00017 0.00094 0.00017 0.00010 -0.00420 -0.00035 0.00301 -0.00042 -0.00220 0.00364 -0.00091 -0.00489 0.00054 -0.00011 -0.00680 0.00132 -0.00598 -0.00043 0.01403 -0.00031 -0.00453 -0.00120 -0.01012 -0.01075 -0.00026 0.00610 0.00054 0.03005 0.00007 -0.00089 -0.00006 -0.00265 0.00018 0.00011 0.00341 0.00024 0.00163 -0.00027 0.00133 -0.00003 -0.00051 -0.00019 -0.00179 0.01538 -0.00023 -0.01062 -0.00022 -0.00404 0.00069 0.00110 -0.00067 -0.00547 0.00054 0.00001 0.00238 0.00042 0.00011 -0.00011 0.00440 0.00176 -0.00109 -0.00895 0.00088 0.00001 0.00390 0.00069 0.00031 -0.00018 0.00733 0.00728 -0.00225 -0.01398 0.00133 0.00011 0.00660 0.00009 -0.00754 0.00015 -0.01245 -0.00101 0.00342 0.00439 0.03110 -0.05778 -0.00040 0.03863 0.00225 0.14553 0.00038 0.00917 0.00047 0.01635 -0.00165 0.00039 0.00702 -0.00098 0.00323 -0.00080 -0.00026 -0.00513 0.00348 0.02873 -0.00279 -0.00005 -0.01176 -0.00222 -0.00204 0.00067 -0.02602 0.01051 -0.00351 -0.02294 0.00220 0.00013 0.00940 0.00025 -0.00925 0.00011 -0.01382 -0.00155 0.00536 0.00677 0.04771 -0.09004 -0.00051 0.05869 0.00340 0.22067 0.00065 0.01274 0.00084 0.02432 -0.00252 0.00060 0.00973 -0.00148 0.00581 -0.00121 0.00061 -0.01609 0.00429 0.03323 -0.00374 0.00000 -0.04338 -0.00487 0.03590 0.00021 -0.02773 0.01244 -0.00186 -0.00900 0.00076 0.00063 0.02490 -0.00133 -0.10291 0.00344 -0.12361 -0.00169 0.00548 0.00720 0.05290 -0.09020 -0.00132 0.08620 0.00550 0.34562 0.00095 0.01869 -0.00035 0.02386 -0.00209 0.00075 0.01883 -0.00235 0.01367 -0.00249 0.03701 -0.09108 0.01902 0.06042 -0.00716 -0.00139 -0.11240 -0.02999 -0.64815 0.00780 -1.61335 0.02127 -0.00415 -0.04458 0.00358 0.00232 0.07704 0.00996 -1.24624 0.03421 -0.29642 -0.00059 -0.00179 0.00245 0.02005 -0.01643 -0.00052 0.05037 0.00906 0.39168 0.00756 -0.00103 0.00492 0.06613 -0.00598 -0.00098 -0.00553 0.00152 0.49213 -0.01253 0.54764 -0.00026 0.00013 0.00056 0.00007 0.00028 -0.00138 0.00002 0.00189 0.00012 0.00334 0.00088 0.00005 0.00179 -0.00012 0.00003 0.00063 -0.00024 0.00259 -0.00008 -0.00693 -0.00031 -0.00327 -0.00073 -0.00831 -0.01945 0.00019 0.00397 -0.00009 -0.01322 -0.00042 0.00038 -0.00018 -0.00160 0.00021 0.00015 0.00146 0.00010 0.00410 0.00006 0.00146 -0.00010 -0.00181 -0.00053 -0.00534 -0.00906 0.00007 0.00623 0.00022 0.01072 -0.00027 -0.00846 -0.00016 -0.01312 0.00105 0.00009 -0.00281 0.00056 -0.00253 -0.00027 0.00980 -0.01376 -0.00026 -0.02135 0.00172 0.00015 -0.00455 0.00091 -0.00398 -0.00044 0.01609 -0.02880 0.00053 -0.03336 0.00240 0.00026 -0.00551 0.00086 -0.00978 -0.00010 0.01017 -0.00084 -0.02341 -0.00798 -0.07847 -0.02569 -0.00071 -0.02703 0.00120 0.10496 0.00315 0.00930 0.00531 0.06360 -0.00529 -0.00007 0.00861 -0.00310 0.00879 0.00049 -0.04008 0.04089 0.00088 0.06244 -0.00503 -0.00047 0.01206 -0.00266 0.00881 0.00128 -0.04999 -0.04355 0.00083 -0.04900 0.00353 0.00037 -0.00575 0.00116 -0.01520 -0.00007 0.01750 -0.00123 -0.03586 -0.01233 -0.12117 -0.04015 -0.00098 -0.04040 0.00178 0.15967 0.00482 0.01379 0.00785 0.09373 -0.00774 -0.00008 0.01046 -0.00464 0.01185 0.00071 -0.06118 0.05892 -0.00052 0.10111 -0.00776 -0.00062 0.02447 -0.00572 0.09381 0.00223 -0.08174 -0.02334 -0.00153 -0.06002 0.00489 0.00034 -0.01501 0.00153 -0.01229 -0.00106 0.03648 -0.00140 -0.03567 -0.01212 -0.11854 -0.03587 -0.00216 -0.05521 0.00286 0.23989 0.00668 0.01783 0.00850 0.09705 -0.00819 -0.00039 0.03018 -0.00527 0.01149 0.00078 -0.08080 0.04610 -0.00999 0.01104 0.00188 0.00033 -0.43878 -0.00588 -1.19114 0.00711 0.94716 0.01206 -0.00961 -0.06189 0.00455 0.00237 0.07340 0.00702 -0.22590 -0.00025 0.37468 0.00040 0.00207 -0.00045 -0.00404 0.00064 -0.00248 -0.05599 0.00438 0.31405 0.00492 -0.04056 0.00786 0.01728 -0.00206 -0.00046 0.13128 -0.00865 0.27520 -0.00361 -0.39518 0.00263 -0.00065 -0.00278 0.00030 0.00013 0.00292 0.00006 -0.00049 0.00009 0.00045 -0.00081 0.00049 0.00425 -0.00037 0.00011 -0.00060 -0.00073 0.00369 0.00041 -0.01025 -0.00011 -0.00028 0.00015 0.00089 -0.00886 0.00002 -0.00164 -0.00009 -0.00543 0.00015 -0.00312 0.00013 -0.00281 0.00018 0.00007 -0.00304 0.00029 0.00258 -0.00014 0.00227 -0.00029 -0.00330 -0.00077 -0.00923 -0.01741 0.00016 -0.00542 -0.00030 -0.01975 -0.00008 -0.02622 0.00250 -0.00430 0.00034 0.00016 0.00112 0.00070 -0.00359 -0.00044 0.01098 -0.04323 0.00419 -0.00685 0.00052 0.00027 0.00179 0.00113 -0.00580 -0.00074 0.01768 -0.08534 0.01074 0.00493 -0.00168 0.00025 0.01526 0.00061 -0.00256 -0.00021 0.01239 0.00119 0.02125 0.00625 0.09200 -0.03540 0.00053 0.03614 0.00061 0.00610 -0.00223 -0.03000 -0.00015 -0.03788 0.00238 0.00061 0.02262 -0.00738 0.01586 0.00246 -0.06682 0.13898 -0.01343 0.02697 -0.00178 -0.00090 -0.00075 -0.00278 0.01040 0.00251 -0.04393 -0.15513 0.01906 0.00256 -0.00228 0.00033 0.02773 0.00165 -0.00348 -0.00096 0.02545 0.00216 0.03870 0.01144 0.17034 -0.06925 0.00092 0.06692 0.00097 0.00991 -0.00387 -0.05824 -0.00007 -0.07423 0.00448 0.00169 0.04044 -0.01303 0.03139 0.00437 -0.12101 0.28160 -0.04719 -0.04761 0.00297 -0.00208 0.01903 -0.00475 0.25533 0.00457 -0.28629 -0.12851 0.00722 -0.01921 -0.00079 0.00260 0.13945 0.00980 -0.07988 -0.00268 0.26098 -0.00268 0.01120 0.01272 0.15338 -0.05994 -0.00251 0.15727 0.00015 0.12882 0.00315 -0.05834 0.00738 0.02202 -0.00611 0.00198 0.09218 -0.01394 -0.03738 0.00259 0.00966 -0.20076 0.02276 0.00570 -0.00564 0.00045 -0.72712 -0.01666 -1.16819 -0.07267 1.72305 -0.02930 0.00283 -0.00032 -0.00059 -0.00125 -0.39342 -0.01730 0.07025 -0.01510 -0.09988 -0.00047 -0.00260 0.00244 -0.00051 -0.00926 -0.00380 -0.30285 -0.01317 -0.19306 -0.00010 -0.01512 -0.00186 0.01435 -0.00195 0.00268 -0.26182 0.02925 -0.46119 -0.00610 0.69116 -0.02248 0.00047 -0.02428 0.00214 0.00001 -0.00721 0.00129 -0.00063 -0.00066 0.00137 0.01683 -0.00235 -0.00156 0.00023 -0.00024 -0.01230 0.00098 0.00379 -0.00039 0.00465 -0.00136 -0.00545 -0.00125 -0.01184 0.00863 -0.00299 0.01245 0.00032 0.01013 -0.00061 -0.01443 0.00234 0.00096 0.00000 -0.00012 -0.06425 -0.00103 0.00189 -0.00014 -0.00256 0.00031 -0.00078 -0.00081 -0.01486 0.03941 0.00056 0.04591 0.00038 0.00406 -0.00140 0.00010 -0.00234 -0.02756 0.00280 0.00022 -0.00958 0.00478 -0.00596 -0.00161 0.04046 -0.00028 -0.00415 -0.05426 0.00584 0.00022 -0.01551 0.01053 0.00654 -0.00362 0.08158 0.05017 -0.01476 -0.09884 0.01003 0.00190 -0.07935 0.02000 -0.17823 -0.00986 0.52833 0.01418 -0.01444 -0.11159 0.01322 0.00381 0.11039 0.00229 -1.39232 -0.00736 2.06945 0.00721 0.00061 0.01614 -0.00145 -0.00009 0.00063 -0.00051 0.00136 0.00026 -0.00385 -0.00014 -0.00104 -0.00017 -0.00114 0.00159 -0.00033 0.00463 0.00021 0.01616 0.00012 0.00146 0.00002 0.00202 -0.00019 -0.00004 -0.00170 0.00059 -0.00486 -0.00052 0.01022 -0.01215 -0.00455 -0.06801 0.00654 0.00022 -0.00827 0.00177 -0.00104 -0.00052 -0.00263 -0.01524 -0.00869 -0.12312 0.01242 0.00018 -0.03072 0.00440 0.00335 -0.00166 -0.01977 -0.06910 0.00243 -0.06700 0.00683 -0.00007 -0.05815 0.01692 -0.02787 -0.00321 -0.00355 0.03805 0.00969 0.06159 -0.00536 -0.00601 0.16808 -0.00365 1.44044 0.01258 -1.83728 0.00137 -0.00075 -0.00599 0.00060 0.00008 -0.00067 0.00061 -0.00105 -0.00019 0.00470 -0.00063 -0.00398 0.00048 0.00087 0.00170 -0.00006 0.00326 0.00008 0.00379 -0.00008 -0.00481 0.00063 0.00080 -0.00023 0.00005 -0.00131 0.00094 -0.00348 -0.00049 0.01369 0.00260 -0.00131 0.00264 -0.01078 0.01425 0.00086 -0.00675 -0.00094 -0.01928 0.00012 0.00409 -0.00178 0.00482 -0.01570 0.02962 0.00328 -0.02169 -0.00052 -0.05282 0.00773 -0.00067 0.00104 0.00961 -0.00642 0.02668 -0.00031 -0.04764 -0.29918 -0.04939 -0.26858 -0.00687 0.00091 -0.00107 0.00301 0.01256 0.00364 -0.14761 -1.49071 -0.85849 -1.50493 -0.00025 -0.00005 0.00056 -0.00032 -0.00077 -0.00035 0.00023 0.00226 -0.00255 -0.00216 -0.00024 0.00012 -0.00036 0.00057 -0.00010 -0.00022 -0.00054 -0.00742 -0.00275 -0.00589 -0.00008 -0.00015 -0.00030 -0.00067 0.00084 0.00005 0.00075 0.00337 0.00376 0.00354 -0.00555 0.00065 -0.00027 0.00010 -0.00019 -0.00258 0.00020 0.00109 0.00024 -0.00095 -0.00969 0.00133 -0.00041 0.00014 -0.00015 -0.00522 0.00048 -0.00163 0.00074 0.01515 -0.00051 -0.00041 0.00352 -0.00007 -0.00000 -0.01445 0.00099 -0.33709 0.01010 -0.16880 0.01649 -0.00341 0.00690 -0.00053 0.00064 -0.03344 0.00861 -1.49092 0.07921 -0.67450 0.00036 0.00002 0.00080 -0.00008 -0.00002 -0.00056 -0.00002 -0.00394 0.00014 0.00008 0.00000 -0.00022 -0.00012 -0.00082 0.00063 0.00002 0.00040 0.00006 -0.00089 -0.00006 0.00038 -0.00011 -0.00056 0.00006 0.00002 0.00028 0.00007 -0.00853 0.00023 0.00058 0.00205 0.00154 0.00556 0.00995 -0.01410 0.00078 0.00643 -0.00033 0.01908 0.00009 0.00311 0.00219 0.00923 0.01415 -0.02933 0.00341 0.02102 0.00099 0.05265 0.00692 -0.00106 0.00108 0.01183 0.00417 -0.02726 0.00037 0.04429 -0.29776 0.05291 -0.27285 -0.00693 0.00254 -0.00027 -0.00279 -0.01276 0.00343 0.13894 -1.46211 0.88909 -1.51801 -0.00023 0.00022 0.00060 0.00023 0.00076 -0.00040 -0.00042 0.00237 0.00243 -0.00201 0.00024 0.00015 0.00048 0.00048 -0.00006 0.00021 -0.00058 0.00725 -0.00286 0.00596 -0.00011 0.00015 -0.00009 0.00070 -0.00084 0.00006 -0.00069 0.00326 -0.00390 0.00366 0.00474 -0.00012 0.00529 -0.00040 -0.00003 0.00293 -0.00029 -0.01070 0.00031 0.00295 0.00767 -0.00019 0.00854 -0.00065 -0.00005 0.00491 -0.00049 -0.01755 0.00052 0.00418 0.02036 -0.00118 0.01589 -0.00113 -0.00030 0.00768 -0.00094 0.01841 -0.00010 -0.02619 -0.00226 -0.02450 -0.00587 -0.06466 -0.13142 0.00124 -0.00546 -0.00207 -0.15799 -0.00246 -0.00363 -0.00041 -0.01068 0.00144 0.00112 -0.00103 -0.00038 0.01670 0.00105 -0.02922 -0.02467 0.00086 -0.02358 0.00168 0.00016 -0.01870 0.00162 0.05442 -0.00176 0.00418 0.03002 -0.00190 0.02212 -0.00159 -0.00046 0.01197 -0.00152 0.02925 -0.00007 -0.03597 -0.00366 -0.03993 -0.00956 -0.10521 -0.21478 0.00197 -0.00798 -0.00326 -0.24915 -0.00373 -0.00610 -0.00057 -0.01568 0.00216 0.00183 -0.00058 -0.00075 0.02536 0.00180 -0.03896 -0.03526 0.00363 -0.02502 0.00167 -0.00002 0.00789 0.00266 0.17243 -0.00119 -0.37450 0.02577 -0.00421 -0.00284 0.00074 -0.00045 -0.00663 -0.00037 0.09705 -0.00382 -0.00789 -0.00310 -0.03483 -0.00841 -0.09688 -0.20200 0.00356 -0.01914 -0.00596 -0.47952 -0.00755 -0.00289 -0.00017 0.00108 0.00061 0.00173 -0.01718 -0.00276 0.08389 0.00163 -0.05900 0.04244 -0.01099 -0.09190 0.01131 -0.00039 -0.01549 -0.03318 -0.25870 0.02954 -1.62624 -0.01398 0.00013 0.01145 -0.00115 0.00105 -0.02887 -0.00107 1.43451 -0.04008 -2.52534 0.00036 -0.00104 -0.00082 -0.01266 -0.01811 0.00102 -0.02543 0.00304 -0.61537 -0.02719 0.01355 0.00365 0.06333 -0.00568 -0.00055 -0.12702 0.00265 1.67075 -0.02193 -2.30763 0.00110 0.00037 0.00520 -0.00040 -0.00014 0.00032 -0.00021 0.00299 0.00036 -0.00116 -0.00063 -0.00104 -0.01132 0.00102 0.00004 -0.00095 0.00092 -0.00360 -0.00025 0.01740 0.00016 -0.00038 -0.00048 -0.00381 0.00816 0.00001 -0.00676 -0.00021 -0.01636 0.00010 -0.00060 -0.00033 -0.00454 0.00047 -0.00006 0.00101 0.00027 0.00206 0.00010 -0.00192 0.00009 0.00322 0.00118 0.01151 0.00093 0.00011 0.00848 -0.00009 -0.01128 -0.00059 0.00392 -0.00148 -0.00931 0.00100 0.00001 0.00048 0.00053 0.00631 -0.00023 0.00623 0.00759 -0.00221 -0.01221 0.00141 0.00003 0.00263 0.00131 0.00626 -0.00031 -0.01882 -0.00177 -0.00033 -0.01692 0.00155 -0.00024 0.02095 0.00425 -0.35627 0.00751 0.61949 -0.01151 0.00042 -0.02548 0.00166 -0.00018 0.11754 0.00852 -2.68200 0.03765 4.81254 0.00010 -0.00004 -0.00008 0.00001 -0.00001 0.00063 0.00012 -0.00695 0.00010 0.00583 -0.00019 -0.00202 -0.00049 -0.00523 -0.01098 0.00014 -0.00056 -0.00035 -0.02472 -0.00033 -0.00088 -0.00004 -0.00190 0.00020 0.00009 -0.00032 0.00014 -0.00478 0.00022 0.00895 -0.00480 0.00237 -0.00239 0.00679 -0.00909 -0.00763 -0.01144 0.00031 -0.00106 -0.00174 -0.00778 0.00386 -0.00384 0.01108 -0.01484 -0.01255 -0.01880 0.00039 -0.00171 -0.00284 0.03073 -0.00322 0.01036 -0.02738 0.02909 0.13328 -0.10260 -0.00157 0.02884 0.00733 0.04231 -0.01754 0.01432 -0.04825 0.03902 -0.06625 0.11987 0.00225 -0.01807 -0.00002 0.01790 -0.01531 -0.00131 -0.01178 0.01557 0.04879 -0.03139 0.00039 0.00960 0.00241 0.01737 -0.00961 0.00973 -0.02853 0.04408 0.03973 0.05958 0.00194 0.00533 0.00772 0.04718 -0.00314 0.01626 -0.04327 0.04406 0.20634 -0.16338 -0.00161 0.04249 0.01136 0.06462 -0.02720 0.02073 -0.07604 0.05777 -0.10482 0.18199 0.00478 -0.03030 -0.00166 0.02731 -0.02854 -0.00521 -0.01718 0.02383 0.07566 -0.04997 -0.00049 0.01533 0.00735 0.08405 -0.04035 0.03781 -0.09114 0.08209 0.08635 0.12641 -0.03455 0.00781 0.04300 0.00155 -0.02730 -0.00822 0.01954 0.02321 0.23835 -0.19132 -0.01053 0.06984 0.02575 -0.01413 -0.00944 0.00972 0.00477 0.01841 -0.12759 0.22743 -0.00193 -0.02942 0.01236 -0.00423 0.07603 0.04097 -0.02700 -0.00793 0.09021 -0.07036 0.02564 0.00958 -0.05948 0.07096 -0.08275 0.06042 0.10268 0.01161 -0.20863 -0.34128 0.10709 0.32997 0.77715 -0.05166 -0.00483 0.01860 0.07115 0.00867 0.07958 0.13577 -0.16208 0.24976 0.51785 -0.12047 0.01262 0.00704 0.12360 -0.01626 -0.00434 0.06060 -0.14804 0.19283 0.24156 -0.03714 0.05724 -0.02603 0.03598 -0.06679 0.05766 -0.19868 0.01780 -0.27766 -0.13566 -0.02972 0.01592 0.01069 0.01873 -0.01348 0.00228 -0.00295 0.00121 0.00037 -0.00401 0.01506 -0.00310 0.01584 -0.02374 0.00594 0.00675 -0.00435 -0.00050 0.00149 -0.00142 0.00845 0.02662 0.01131 -0.01690 0.00321 0.00160 -0.00162 0.00092 -0.00009 -0.00471 -0.01292 0.00250 -0.00723 0.00513 -0.00196 0.01441 -0.01166 -0.00057 0.00194 0.00129 0.00839 -0.01613 -0.00608 -0.00583 0.00325 0.00433 -0.00649 -0.00009 -0.00011 0.00149 -0.00509 -0.00126 -0.00302 -0.00650 0.00914 -0.00778 0.01137 0.00051 0.00097 -0.00259 -0.00825 -0.00204 -0.00486 -0.01062 0.01495 -0.01279 0.01869 0.00070 0.00156 -0.00422 0.02985 -0.00114 0.01369 0.02478 -0.02877 0.13784 0.11046 -0.00148 -0.02917 0.00475 -0.04397 -0.00823 -0.02052 -0.04640 0.03906 0.06336 0.11854 -0.00134 -0.01698 -0.00496 0.02264 0.01118 -0.00079 0.01401 -0.01644 0.03522 0.01648 0.00052 -0.00628 0.00186 0.01835 0.00487 0.01220 0.02741 -0.04462 0.04051 -0.05916 0.00107 -0.00460 0.01179 0.04536 -0.00323 0.02161 0.03909 -0.04373 0.21337 0.17539 -0.00161 -0.04291 0.00759 -0.06695 -0.01237 -0.03097 -0.07350 0.05793 0.10038 0.18007 -0.00371 -0.02875 -0.00547 0.03581 0.02148 -0.00529 0.02127 -0.02496 0.05409 0.02735 -0.00032 -0.01024 0.00659 0.09052 0.02427 0.04601 0.08701 -0.08085 0.08813 -0.12620 -0.03802 -0.00797 0.05742 0.00768 0.02087 -0.01282 -0.01633 -0.02043 0.24744 0.20920 -0.00819 -0.07115 0.01462 0.00805 -0.01797 -0.00117 0.00812 0.01853 0.12284 0.22326 0.00618 -0.02501 -0.02599 -0.02374 -0.06480 0.05708 0.01944 0.00429 0.06697 0.03211 0.02747 0.00020 -0.06126 0.08899 0.06227 0.04149 -0.10405 -0.00408 -0.21761 0.41363 0.14792 -0.30766 0.69557 -0.04340 0.01663 0.01005 -0.07405 -0.00474 0.08262 -0.08413 -0.17559 -0.24921 0.46874 0.11757 -0.02491 0.01010 0.12725 -0.01545 0.00756 0.06556 0.14278 0.21973 -0.20370 -0.05474 -0.04902 -0.02618 -0.03021 0.06236 0.04931 0.11002 0.01712 0.29055 -0.09146 -0.03306 -0.01088 0.00863 -0.02114 0.01340 0.00175 0.00195 0.00136 0.00014 -0.00439 0.01312 0.00315 0.01888 0.01908 -0.00518 0.00630 0.00405 -0.00038 -0.00112 -0.00175 -0.00657 0.02426 -0.01960 -0.01643 0.00524 -0.00064 0.00071 -0.00081 -0.00073 0.00445 -0.01282 -0.00315 -0.00400 -0.00241 0.00192 0.01443 0.01143 -0.00060 -0.00205 0.00069 -0.01006 -0.01049 0.00792 -0.00680 0.00300 -0.00479 -0.00753 0.00002 -0.00009 -0.00136 0.00190 0.00099 -0.00168 0.00268 -0.00099 0.00023 -0.00205 -0.00215 -0.00185 0.00250 0.00303 0.00153 -0.00271 0.00445 -0.00161 0.00038 -0.00344 -0.00362 -0.00311 0.00423 -0.03221 0.01504 -0.12668 -0.08501 0.01065 -0.09772 -0.08431 0.00577 0.02527 -0.00658 0.08439 -0.11534 0.12413 0.10817 -0.04613 -0.06265 -0.07340 -0.00070 0.01094 0.01238 -0.04830 -0.06624 0.04111 -0.01578 0.02056 -0.02561 -0.01354 0.00166 0.00458 -0.00884 -0.01163 -0.00564 0.00952 -0.01701 0.00635 -0.00113 0.01209 0.01290 0.01137 -0.01622 -0.04613 0.02264 -0.18815 -0.12521 0.01459 -0.14299 -0.12335 0.00965 0.03727 -0.01104 0.12150 -0.17305 0.18492 0.15896 -0.06734 -0.09118 -0.10790 -0.00196 0.01660 0.01834 -0.06937 -0.09606 0.05925 -0.02252 0.02923 -0.03791 -0.01938 0.00165 0.00649 -0.01220 -0.04294 -0.03900 0.02991 -0.01973 0.01795 -0.00430 0.01475 0.02160 0.01170 -0.02656 -0.04545 0.01684 -0.17492 -0.11566 0.01787 -0.17472 -0.15345 0.00386 0.04593 -0.00284 0.12269 -0.15281 0.16761 0.14595 -0.06738 -0.11275 -0.13317 -0.00107 0.01598 0.02613 -0.07506 -0.10396 0.06318 -0.02039 0.03412 -0.04465 -0.02369 0.01842 0.01428 -0.03322 -0.10067 -0.07280 -0.01830 -0.01671 0.06662 0.11318 -0.04415 0.16946 0.31782 -0.45492 0.00025 0.00376 -0.01300 -0.00340 0.00757 -0.07917 -0.04861 0.09256 0.05340 -0.14015 0.00006 -0.00938 0.01915 0.00164 -0.01166 -0.04945 -0.04562 -0.08168 -0.01591 0.10342 -0.02357 -0.01669 0.00101 -0.00184 0.00836 0.01362 -0.04821 -0.00516 0.02515 -0.09123 -0.00281 -0.00564 0.00307 -0.00079 0.00106 0.00115 0.00193 0.00034 0.00000 -0.00068 -0.00050 0.00065 -0.00776 -0.00421 -0.00090 0.00415 0.00350 0.00024 -0.00065 0.00035 0.00418 -0.00762 0.00692 0.00503 -0.00149 0.00119 0.00324 -0.00027 -0.00057 0.00017 0.00037 -0.00222 0.00258 0.00138 0.00022 0.00123 0.00147 -0.00008 -0.00058 -0.00027 -0.00077 -0.00054 0.00241 0.00037 0.00049 -0.00122 -0.00136 0.00002 0.00020 -0.00068 0.00090 -0.00129 0.00159 0.00270 -0.00141 0.00108 -0.00184 -0.00111 0.00029 0.00059 0.00148 -0.00204 0.00253 0.00440 -0.00234 0.00179 -0.00303 -0.00187 0.00049 0.00102 -0.05308 0.01717 0.02981 -0.06237 0.03934 -0.10620 -0.08356 0.00233 0.01475 0.00021 0.14237 0.10077 -0.03641 0.07234 -0.05350 -0.05500 -0.07655 0.00413 0.01330 -0.00950 -0.09392 -0.10280 0.12256 -0.02645 0.03268 -0.02166 -0.02107 0.00039 -0.00040 -0.00129 -0.00650 0.00701 -0.00951 -0.01618 0.00909 -0.00599 0.00971 0.00651 -0.00206 -0.00368 -0.07782 0.02453 0.04604 -0.09084 0.05763 -0.15607 -0.12179 0.00386 0.02260 0.00012 0.20916 0.15098 -0.05645 0.10476 -0.07853 -0.08021 -0.11286 0.00567 0.01864 -0.01402 -0.13855 -0.15174 0.18129 -0.03911 0.04774 -0.03127 -0.03142 0.00047 -0.00038 -0.00216 -0.01426 0.03749 -0.04275 -0.04491 0.01019 -0.01366 0.02479 0.00556 -0.00080 0.01436 -0.07214 0.03244 0.03644 -0.09079 0.05479 -0.18722 -0.15370 0.00125 0.02120 0.00655 0.19602 0.13255 -0.04146 0.10465 -0.07215 -0.09944 -0.13505 0.00998 0.03062 -0.02093 -0.12747 -0.14498 0.17264 -0.03168 0.04904 -0.03911 -0.03685 -0.00105 0.00200 -0.00044 -0.06087 0.02838 -0.00725 -0.04645 -0.03060 0.07147 -0.28423 -0.13325 -0.26833 0.10690 -0.01283 0.00327 0.00140 -0.00442 0.00773 -0.07314 -0.09180 -0.00134 0.02162 -0.03218 0.00904 0.02275 -0.00792 -0.00006 -0.00926 -0.04111 -0.01284 0.00336 0.02104 -0.01623 0.00524 -0.01961 0.01589 0.00998 0.00594 -0.03615 0.03696 0.04038 0.03103 -0.05884 0.00674 0.00632 -0.00819 0.00240 -0.00143 -0.00161 0.00051 -0.00002 0.00056 -0.00004 -0.00087 -0.00386 0.00230 0.00224 -0.00074 -0.00097 -0.00226 -0.00016 0.00087 0.00007 -0.00313 -0.00091 -0.00235 -0.00196 0.00113 -0.00179 -0.00215 -0.00003 0.00053 0.00053 0.00275 0.00478 -0.00058 -0.00043 0.00002 0.00360 0.00472 -0.00008 -0.00098 0.00025 0.00527 0.00339 -0.00386 0.00251 -0.00162 -0.00157 -0.00048 -0.00026 0.00025 0.00027 0.00160 -0.00180 -0.00197 -0.00237 0.00090 0.00034 0.00252 -0.00211 0.00173 0.00238 0.00257 -0.00285 -0.00322 -0.00395 0.00147 0.00058 0.00424 -0.00355 0.00293 0.00402 -0.04001 -0.03452 -0.11465 0.10986 -0.00790 -0.09387 0.07911 0.00570 -0.02482 -0.00861 -0.11333 -0.10427 -0.07358 0.12782 -0.04590 0.06356 -0.07823 0.00040 0.01238 -0.00999 -0.02452 0.08790 0.02846 0.00380 -0.01837 -0.03671 0.02340 0.00180 -0.00633 -0.00875 -0.00999 0.01052 0.01143 0.01521 -0.00578 -0.00196 -0.01503 0.01259 -0.01078 -0.01545 -0.05789 -0.05179 -0.17041 0.16201 -0.01046 -0.13722 0.11601 0.00938 -0.03666 -0.01393 -0.16491 -0.15779 -0.10977 0.18840 -0.06692 0.09249 -0.11499 0.00146 0.01864 -0.01465 -0.03480 0.12762 0.04080 0.00517 -0.02591 -0.05426 0.03391 0.00189 -0.00901 -0.01187 -0.03136 0.05249 0.02686 0.01470 -0.01940 -0.00493 -0.01971 0.02119 -0.00883 -0.02507 -0.05455 -0.04466 -0.15937 0.15040 -0.01416 -0.16824 0.14303 0.00418 -0.04468 -0.00674 -0.16063 -0.13479 -0.09938 0.17238 -0.06804 0.11470 -0.14230 0.00152 0.01886 -0.02368 -0.03860 0.13589 0.04286 0.00288 -0.03214 -0.06402 0.03992 0.01775 -0.01715 -0.03293 -0.08148 0.09462 -0.02573 0.01996 -0.07540 0.10590 -0.04548 0.17544 -0.31290 -0.50749 0.00091 -0.00805 -0.01068 0.00466 -0.00651 -0.07930 0.04368 0.08420 -0.04858 -0.13898 -0.00512 -0.01153 -0.01581 0.00562 -0.01379 0.05022 -0.05276 0.08263 -0.01976 -0.11595 -0.01814 0.02419 -0.00265 0.00073 -0.00852 -0.00118 0.04031 -0.00558 -0.02404 -0.08952 -0.00060 0.00729 0.00176 -0.00007 -0.00079 0.00168 -0.00275 0.00028 0.00026 -0.00051 -0.00086 -0.00237 -0.00700 0.00549 0.00112 0.00399 -0.00303 0.00022 0.00059 0.00042 -0.00597 -0.00650 -0.00383 0.00607 -0.00157 -0.00101 0.00271 0.00032 -0.00055 -0.00040 0.00151 0.00305 0.00238 -0.00261 -0.00020 0.00113 -0.00174 -0.00011 0.00065 -0.00017 0.00083 -0.00102 -0.00260 0.00094 0.00067 0.00147 -0.00159 -0.00001 0.00030 0.00073 0.00126 0.00121 0.00090 -0.00290 0.00134 0.00093 0.00157 -0.00104 -0.00017 0.00044 0.00204 0.00190 0.00142 -0.00471 0.00223 0.00153 0.00259 -0.00175 -0.00030 0.00077 -0.05788 -0.00227 0.04143 0.05858 -0.04147 -0.10302 0.07788 0.00230 -0.01501 -0.00138 -0.11966 0.14665 0.03149 0.05745 -0.05300 0.05882 -0.07403 -0.00455 0.01278 0.01250 -0.06117 0.13039 0.10737 0.00077 -0.03324 -0.03265 0.03122 0.00085 -0.00171 -0.00252 -0.00833 -0.00635 -0.00548 0.01745 -0.00876 -0.00493 -0.00807 0.00617 0.00130 -0.00294 -0.08451 -0.00228 0.06291 0.08486 -0.06086 -0.15137 0.11317 0.00371 -0.02295 -0.00237 -0.17504 0.21871 0.04833 0.08239 -0.07779 0.08599 -0.10902 -0.00629 0.01789 0.01832 -0.09021 0.19239 0.15891 0.00120 -0.04860 -0.04756 0.04631 0.00121 -0.00257 -0.00414 -0.02569 -0.03858 -0.02832 0.05017 -0.00791 -0.01264 -0.02020 0.00464 -0.00065 0.01607 -0.08181 -0.01298 0.05447 0.08650 -0.05697 -0.18189 0.14588 0.00185 -0.02173 0.00502 -0.16666 0.19572 0.03663 0.08440 -0.07103 0.10517 -0.12993 -0.01083 0.02924 0.02707 -0.08160 0.18267 0.15054 -0.00406 -0.05039 -0.05789 0.05404 -0.00029 -0.00638 -0.00290 -0.06802 -0.01043 0.00356 0.03952 0.03525 0.06962 0.34651 -0.11446 0.24492 0.13965 -0.01404 0.00055 0.00424 0.00434 -0.00657 -0.06591 0.09742 -0.00683 -0.01803 -0.03329 -0.00342 0.02487 0.00436 -0.00323 -0.00948 0.04260 -0.00930 0.00610 0.01379 0.00855 0.00985 0.01764 0.01108 -0.01189 -0.00592 -0.04699 -0.02938 0.03765 -0.02701 -0.06305 0.00467 -0.00826 -0.00750 -0.00076 0.00149 -0.00189 0.00010 -0.00007 -0.00073 0.00004 0.00018 0.00439 0.00167 -0.00275 0.00079 -0.00056 0.00190 -0.00017 -0.00075 -0.00002 0.00339 -0.00248 0.00171 -0.00200 0.00103 0.00191 -0.00266 0.00004 0.00065 -0.00051 0.00094 -0.00504 0.00070 0.00116 -0.00037 0.00367 -0.00455 -0.00009 0.00102 0.00046 -0.00471 0.00590 0.00355 0.00151 -0.00166 0.00112 0.00027 0.00025 0.00014 -0.00031 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 H 1S 2S 3S 4S 5PX 5PY 5PZ 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 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 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 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 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 O 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 O 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 O 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 20 O 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 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 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 H 1S|2S|3S|4S|5PX|5PY|5PZ|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 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|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 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|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 O 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 O 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 O 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|20 O 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 1.10434 0.88496 0.18165 0.23327 0.22329 0.73886 0.45640 0.55288 0.53315 0.49176 0.15147 0.34473 0.30783 0.16933 -0.00419 0.00749 -0.00937 0.00424 0.01635 0.01319 0.01710 0.00782 1.10439 0.88462 0.20794 0.19036 0.24174 0.75455 0.48317 0.47952 0.52680 0.46669 0.08845 0.34772 0.19638 0.09201 -0.03074 0.03185 0.13182 0.01945 0.02352 0.00714 0.00973 0.01514 0.26790 0.47921 0.00644 -0.04638 0.00345 0.00668 0.01605 1.10440 0.88458 0.24625 0.18377 0.20928 0.75442 0.55026 0.46625 0.48623 0.48971 0.23948 0.39082 0.10349 -0.14252 0.21108 0.03907 0.19711 0.02060 0.02440 0.01608 0.00868 0.00819 1.09532 0.89604 0.25533 0.28440 0.25552 0.85838 0.59128 0.64411 0.58806 0.61462 0.31927 0.54100 0.30233 -0.21640 -0.03046 -0.04481 -0.04171 0.00974 0.01117 0.00789 0.00564 0.00620 1.09553 0.89579 0.25664 0.24716 0.27234 0.87725 0.58773 0.57081 0.61487 0.73664 0.26760 0.50852 0.37986 -0.21291 -0.05140 -0.02889 -0.00310 0.00959 0.00813 0.00451 0.00606 0.00678 1.13235 0.85441 0.19436 0.15543 0.11644 0.66252 0.43085 0.36521 0.30952 0.04099 0.01916 0.03563 0.13878 -0.01146 0.01050 -0.01026 -0.00001 0.04311 0.01638 0.01300 0.03069 0.05393 0.18227 0.41558 0.03297 -0.07831 0.04400 0.00374 0.00888 0.26341 0.57253 0.11924 0.04868 0.00977 0.00107 0.00648 0.27073 0.47457 0.01752 -0.00854 0.00343 0.01091 0.00760 0.27006 0.48143 0.03974 0.01637 0.00852 0.00520 0.00859 0.27071 0.47463 0.01836 -0.00801 0.00341 0.01089 0.00766 1.10444 0.88478 0.23065 0.18669 0.21664 0.76181 0.50903 0.46917 0.49089 0.43590 0.12888 0.31344 0.09385 0.03462 0.05398 0.02401 0.04096 0.02471 0.03473 0.01534 0.01288 0.01731 0.26898 0.47896 0.01461 -0.06178 0.00939 0.00622 0.00983 1.09577 0.89575 0.23824 0.26097 0.24936 0.91743 0.55954 0.60174 0.57872 0.54006 0.32518 0.33792 0.16384 0.08933 0.05989 0.11865 0.19028 0.04067 0.03390 0.03503 0.01108 0.01097 1.09577 0.89575 0.23611 0.26123 0.25114 0.91759 0.55579 0.60209 0.58189 0.53924 0.33687 0.33384 0.15562 0.08101 0.04828 0.12132 0.19062 0.04065 0.03447 0.03718 0.00996 0.00943 1.08467 0.90855 0.32775 0.35585 0.26479 1.03114 0.68488 0.73658 0.58179 0.91101 0.52951 0.53915 0.24481 -0.19163 -0.00701 0.00722 -0.00824 0.00942 0.00481 0.00499 0.00031 0.00041 1.08467 0.90856 0.29117 0.32872 0.32851 1.03054 0.62158 0.68941 0.69275 0.91229 0.42938 0.45799 0.42369 -0.23894 0.00242 -0.00229 -0.01884 0.00328 0.00500 0.00530 0.00313 0.00315 1.08467 0.90856 0.33266 0.34890 0.26688 1.03126 0.69395 0.72423 0.58505 0.91042 0.53230 0.52247 0.25766 -0.19339 -0.00927 0.00773 -0.00869 0.00883 0.00457 0.00537 0.00050 0.00068 1.08467 0.90856 0.28824 0.33645 0.32372 1.03051 0.61705 0.70258 0.68411 0.91188 0.41023 0.48287 0.41825 -0.24061 0.00222 -0.00207 -0.01901 0.00340 0.00561 0.00460 0.00318 0.00303 13.1398 0.0075 1.4715 13.2220 -60.3159 -89.5097 -73.9153 -0.0435 -2.4241 -0.0449 14.2644 -14.9294 0.6650 -0.0435 -2.4241 -0.0449 136.2929 -0.4578 2.6982 30.4059 0.3598 -8.4363 24.2947 -0.1843 -0.0375 -0.1985 -1828.5299 -654.5013 -417.1092 -2.9583 15.0219 1.2203 -2.0051 -6.3362 1.1166 -553.8610 -409.0167 -193.9974 2.0760 -6.1986 0.3528 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 178.87820000000002 AuxInfo=1/0/N:1,2,13,4,7,6,5,15,16,19,20,17,18/E:(8,9)(10,11,12,13)/CRV:2.3,3.3,4.3,5.4,10.1,11.1,12.1,13.1/rA:20nCC3HC3NNB4HHHHHC3HNNO1O1O1O1/rB:;s2;s2;s1s2;s4;s4;s6;s7;s1;s1;s1;s5s6;s13;s7;s7;s16;s16;s15;s15;/rC:3.9475,.3643,-.7815;1.4456,.5729,-.5334;1.3447,1.2184,-1.3874;.4943,.0803,.3095;2.6728,.079,-.1342;1.1952,-.7043,1.2069;-1.0815,.3025,.4775;.7267,-1.256,1.9181;-1.3562,.9643,1.438;4.1515,1.4328,-.7261;4.7366,-.1836,-.2707;3.902,.049,-1.8229;2.4918,-.7018,.9245;3.2612,-1.2407,1.4509;-1.7536,-1.1269,.7018;-1.7502,.9851,-.789;-1.095,1.1553,-1.8138;-2.9074,1.3499,-.6855;-1.3122,-1.7712,1.6592;-2.6299,-1.5546,-.0173; 0.000000 2.522742 0.000000 2.805569 1.075255 0.000000 3.632519 1.363185 2.213172 0.000000 1.457730 1.381782 2.152376 2.223259 0.000000 3.559534 2.173182 3.232598 1.382794 2.143720 0.000000 5.184488 2.735192 3.194205 1.600212 3.810369 2.594042 0.000000 4.503995 3.141896 4.175016 2.104037 3.127541 1.014694 2.788129 0.000000 5.780588 3.448210 3.916967 2.340841 4.414634 3.057390 1.198362 3.081989 0.000000 1.089212 2.845741 2.891638 4.034470 2.090337 4.128362 5.487269 5.094150 5.936160 0.000000 1.088091 3.387047 3.836440 4.289928 2.084907 3.872431 5.886105 4.692521 6.431187 1.778416 0.000000 1.089128 2.823324 2.845549 4.020041 2.088904 4.132063 5.494655 5.077455 6.254652 1.783328 1.777722 0.000000 2.483101 2.201131 3.216858 2.231562 1.327918 1.326988 3.738560 2.099966 4.224586 3.167921 2.595387 3.178155 0.000000 2.833861 3.243977 4.216262 3.271632 2.144932 2.148383 4.710411 2.577213 5.116929 3.560917 2.501649 3.576640 1.076821 0.000000 6.076634 3.827534 4.411851 2.581477 4.663279 3.021420 1.595378 2.765453 2.252319 6.592478 6.630076 6.304165 4.272405 5.071680 0.000000 5.731406 3.232433 3.160844 2.657683 4.562129 3.938676 1.586523 4.299491 2.261666 5.919003 6.611633 5.821771 4.876108 5.923328 2.585137 0.000000 5.207479 2.904022 2.477440 2.861848 4.263325 4.222323 2.444904 4.802082 3.267894 5.365225 6.179152 5.118014 4.879802 5.947790 3.459870 1.228255 0.000000 6.926018 4.424441 4.311610 3.764812 5.749616 4.963140 2.404946 5.174588 2.657877 7.059484 7.807367 7.025245 5.996113 7.023370 3.064456 1.217733 2.143752 0.000000 6.179074 4.231783 5.027781 2.917687 4.745519 2.762204 2.397905 2.118835 2.744759 6.768086 6.544656 6.528865 4.019150 4.608722 1.235558 3.712500 4.546844 4.217140 0.000000 6.894027 4.626276 5.036245 3.541186 5.549875 4.105229 2.468016 3.886069 3.175644 7.444056 7.497271 6.964006 5.276914 6.079391 1.211583 2.796277 3.595420 2.993302 2.143369 0.000000 1.3485533 0.5553296 0.4192556 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 6 6 1 6 7 7 5 1 1 1 1 1 6 1 7 7 8 8 8 8 0.000827080 -0.000023258 0.003108860 0.001793051 -0.000014552 0.000224171 0.000407497 -0.000016930 0.000074127 -0.003473198 -0.000118497 -0.005087544 -0.001859328 0.000026167 0.001827064 -0.007566604 0.000043081 -0.004967470 -0.001738219 0.000267624 0.007312636 0.021811212 -0.000067509 0.002987084 -0.008452710 -0.000080760 -0.005013110 -0.000072103 0.000228945 0.000012153 -0.000588636 0.000009274 -0.001212512 -0.000074275 -0.000227628 0.000038235 -0.000904818 0.000047403 0.001514282 0.000364647 0.000029262 0.000857984 0.001081056 0.002420154 0.001165865 0.001119170 -0.002392829 0.001177921 -0.000306309 0.001251070 -0.001992265 -0.001052231 0.001575592 -0.000110111 -0.000095898 -0.001402253 -0.001956349 -0.001219385 -0.001554356 0.000038978 0.021811212 0.003696596 10 -701.249235982 PT212211.100S Tue Jun 6 16:41:45 2023 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 C C H C N N B H H H H H C H N N O O O O -0.426557 -0.272253 0.266645 -0.491639 0.047060 -0.049494 0.398456 0.390881 -0.021196 0.223783 0.170091 0.222357 -0.084715 0.273773 -0.354309 -0.335844 -0.020768 0.038538 -0.015336 0.040527 -0.00000 -14.63232 -14.55910 -14.54035 -10.41690 -10.36560 -10.35296 -10.34613 -6.87138 -1.32705 -1.31492 -1.20765 -1.14989 -1.13897 -1.07808 -0.91888 -0.88406 -0.82182 -0.76429 -0.75361 -0.74431 -0.71021 -0.65227 -0.63105 -0.62328 -0.61535 -0.61355 -0.60372 -0.59284 -0.58959 -0.58504 -0.55478 -0.55006 -0.54086 -0.51761 -0.44932 -0.43031 -0.39634 -0.39122 -0.38876 -0.37671 -0.36620 -0.36176 -0.35312 0.00693 0.01278 0.02039 0.02617 0.04269 0.05468 0.05961 0.07450 0.07564 0.07939 0.08396 0.09172 0.09999 0.10242 0.11073 0.11929 0.13312 0.13952 0.14619 0.15032 0.15301 0.15956 0.16484 0.17539 0.17772 0.18655 0.19267 0.19587 0.20002 0.20254 0.20938 0.22079 0.22340 0.22614 0.23205 0.24011 0.24424 0.24488 0.25195 0.25561 0.26410 0.26896 0.27882 0.28181 0.28668 0.29341 0.29958 0.30737 0.31757 0.31982 0.32375 0.32934 0.33842 0.34297 0.34358 0.34396 0.35173 0.35831 0.36633 0.37412 0.38100 0.38403 0.39707 0.39961 0.41202 0.41520 0.41753 0.42477 0.43071 0.44017 0.44848 0.45787 0.46450 0.47457 0.48281 0.49107 0.49612 0.50343 0.51057 0.52046 0.53547 0.54560 0.55197 0.57611 0.58027 0.59482 0.60873 0.62986 0.63951 0.64328 0.67181 0.67907 0.68570 0.69206 0.70000 0.71173 0.72218 0.73405 0.73896 0.74829 0.79826 0.80813 0.81267 0.82645 0.84752 0.86654 0.89037 0.91444 0.92335 0.96754 0.97433 0.98869 0.99946 1.01064 1.01954 1.02412 1.03306 1.06360 1.06567 1.06947 1.08890 1.10545 1.13648 1.15672 1.16765 1.17807 1.19897 1.20154 1.20758 1.21740 1.23124 1.24914 1.25783 1.27266 1.28368 1.28751 1.29467 1.30908 1.32588 1.34621 1.35529 1.36598 1.36864 1.38361 1.39914 1.45108 1.46329 1.48281 1.48705 1.49756 1.53392 1.60450 1.61568 1.63788 1.67732 1.68917 1.69708 1.71383 1.73004 1.75361 1.76664 1.77748 1.79839 1.81567 1.82348 1.84960 1.86649 1.87167 1.88327 1.89120 1.91360 1.93057 1.95257 1.97804 1.98294 2.00662 2.07162 2.10873 2.13504 2.17222 2.19873 2.21035 2.22753 2.24251 2.27014 2.27986 2.31409 2.36117 2.38063 2.41616 2.42665 2.46803 2.47170 2.49188 2.51286 2.53415 2.56968 2.57443 2.58051 2.60697 2.62664 2.67021 2.70920 2.72235 2.75655 2.78072 2.83544 2.86144 2.87448 2.88115 2.88493 2.89281 2.91077 2.91576 2.92085 2.93112 2.95486 2.96611 2.97007 2.97352 3.01226 3.02520 3.04867 3.06113 3.06210 3.08828 3.09711 3.21488 3.22875 3.24240 3.33776 3.36004 3.40482 3.47967 3.49349 3.51897 3.56067 3.58570 3.64479 3.67766 3.71294 3.73130 3.76401 3.80319 3.82550 3.85760 3.88442 3.89219 3.95454 3.97809 3.98522 4.00364 4.01459 4.11874 4.46728 4.57967 4.63058 4.65770 4.81798 4.95530 5.03218 5.12056 5.13946 5.15607 5.18334 5.19552 5.22212 5.30175 5.31131 5.36873 5.71111 5.73645 6.36267 6.38005 14.76678 23.84900 24.02072 24.03520 24.26478 35.53434 35.55765 35.59540 35.76019 50.03202 50.04561 50.13649 50.15690 44 45 46 47 48 49 50 51 52 53 O|O|O|O|O|V|V|V|V|V -0.38876 -0.37671 -0.36620 -0.36176 -0.35312 0.00693 0.01278 0.02039 0.02617 0.04269 -0.00020 0.00071 0.00036 0.00008 -0.00007 -0.00063 -0.00058 0.00111 -0.02004 -0.01630 -0.00032 0.00116 0.00059 0.00014 -0.00012 -0.00104 -0.00100 0.00177 -0.03231 -0.02655 -0.00314 0.00469 0.00266 -0.00064 0.00050 -0.00342 -0.00040 -0.00378 0.02530 -0.00513 0.00144 0.00093 -0.00016 0.00273 0.00676 -0.00226 -0.00104 -0.01084 -0.00042 0.01237 -0.00033 -0.00016 -0.00017 0.00303 0.00450 0.00065 0.00032 -0.00630 -0.00452 -0.01437 0.00097 -0.00356 -0.00172 -0.00041 0.00044 0.00261 0.00474 -0.00478 0.08460 0.07423 -0.00497 0.00723 0.00429 -0.00026 0.00086 -0.00561 -0.00090 -0.00861 0.04541 -0.00551 0.00209 0.00170 -0.00040 0.00367 0.00948 -0.00131 -0.00053 -0.03040 0.00051 0.02118 -0.00015 -0.00072 -0.00059 0.00404 0.00619 0.00318 0.00130 -0.01963 -0.01043 -0.02509 0.00144 -0.00986 -0.00731 -0.00954 -0.00248 0.02095 -0.01070 -0.02751 0.56102 0.45870 -0.00278 0.00986 0.00673 -0.00007 -0.00139 -0.01723 0.00518 0.00390 -0.05714 -0.16527 0.00697 -0.00289 0.00505 0.00574 -0.00303 -0.01936 -0.00895 0.02401 -0.03320 -0.00261 0.00203 -0.00587 0.00242 0.00260 -0.00523 -0.00793 -0.00584 0.01934 0.05814 0.03786 -0.08734 -0.06653 0.03205 -0.01951 -0.03788 -0.15226 0.14659 -0.36589 5.84203 5.62335 0.03516 0.03621 -0.01682 -0.00201 0.00860 0.06546 -0.04039 0.00865 -0.11210 -0.41583 0.00117 -0.01664 0.01339 0.01136 -0.01505 -0.07874 -0.01777 -0.08029 -0.15056 0.10257 -0.00632 0.00639 0.00103 -0.01083 -0.01044 -0.03346 -0.02506 -0.04599 0.27271 0.00120 0.00155 -0.00128 0.00026 -0.00150 -0.00545 0.00195 0.00099 -0.01292 -0.00109 -0.00142 -0.00050 0.00080 0.00023 0.00053 0.00137 -0.00288 -0.00169 0.01134 -0.00275 0.00077 0.00024 -0.00040 -0.00000 -0.00084 -0.00200 0.00065 0.00081 -0.00577 -0.00285 -0.00037 0.00018 -0.00063 0.00005 -0.00067 -0.00242 -0.00163 0.00016 -0.00268 0.00297 0.00181 0.00043 0.00004 -0.00029 0.00118 0.00340 -0.00258 -0.00251 0.01795 0.00235 -0.00029 -0.00511 0.00095 -0.00204 -0.00257 -0.00032 -0.00360 0.00193 0.00085 -0.00797 -0.00111 -0.00824 0.00155 -0.00319 -0.00431 -0.00047 -0.00601 0.00320 0.00141 -0.01347 -0.00156 -0.01837 0.01283 -0.00289 0.00226 0.01490 -0.00273 -0.00168 0.00908 0.00356 -0.00261 -0.05109 0.04303 -0.00708 0.02243 0.10650 0.00708 -0.00172 0.05048 0.00481 0.01196 -0.03954 0.01642 -0.01986 0.00051 0.08325 0.01787 0.00580 0.04330 -0.00223 -0.01100 0.02334 -0.00560 0.01035 0.01330 0.00015 0.01860 -0.00894 -0.00518 0.05504 -0.00152 -0.02902 0.01851 -0.00354 0.00166 0.02443 -0.00449 -0.00208 0.01354 0.00415 -0.01402 -0.08344 0.06866 -0.01293 0.03277 0.17273 0.01103 -0.00150 0.07369 0.00474 0.01559 -0.06397 0.02956 -0.03219 0.00427 0.13424 0.02743 0.00672 0.06246 0.00032 -0.01113 0.06891 0.00551 0.01667 0.03161 0.02364 0.06147 -0.06089 -0.00180 0.00831 0.00184 -0.01427 0.02252 0.02181 0.02290 0.01512 0.00998 -0.01219 0.01652 -0.00158 0.04292 -0.07878 0.06322 -0.01301 0.02905 0.15269 0.02115 -0.00283 0.17171 0.02591 0.12207 -0.04660 0.01443 -0.01848 0.01319 0.13404 0.05657 0.00866 0.14956 -0.02016 -0.15726 -0.01682 -0.63217 0.19824 0.46739 -0.01534 -0.81505 1.66066 -0.14422 -0.01998 -2.39668 0.12439 0.22217 -0.05362 -0.04532 0.04764 0.42916 -0.39371 0.00780 0.35321 0.22360 -0.04020 0.07603 -0.01395 -0.05144 -0.00145 -0.01964 -0.14880 0.04132 0.15696 1.12915 0.01557 -0.14011 0.04972 0.11126 0.01229 -0.00801 0.48218 0.13291 -0.25154 -1.66486 -0.00342 0.00249 -0.00349 0.00230 0.01116 0.00117 -0.00180 -0.00135 -0.00114 0.00244 -0.00032 -0.00148 -0.00051 -0.00514 -0.00423 0.00522 0.00427 -0.01271 -0.00029 0.00110 -0.00364 0.00301 0.00156 -0.00075 0.00445 -0.00348 -0.00154 0.00095 0.00091 -0.00420 -0.00478 0.00323 -0.00016 -0.00148 0.00387 -0.00361 0.00080 -0.00744 0.00143 -0.00192 0.00515 -0.00264 0.00054 -0.00002 -0.00865 0.00770 0.00338 -0.01627 -0.00223 -0.00182 0.00655 0.00433 0.00622 0.01107 -0.00183 0.00124 0.00038 -0.00136 0.00237 0.01016 0.00699 0.00022 0.00790 0.01331 -0.00185 0.00308 0.00594 -0.00291 0.01788 0.01661 0.00534 -0.01249 -0.00742 0.01344 0.00807 0.04130 0.04653 0.03301 -0.12581 -0.32775 0.02643 -0.06123 0.01606 0.04501 0.00727 0.16213 0.33798 0.14500 -0.33038 -1.80871 0.00060 0.00295 0.00281 0.00337 0.00088 -0.00070 -0.00214 0.00055 -0.00049 -0.00173 -0.00519 0.00192 -0.00219 0.00034 0.00909 0.00222 0.00248 0.00849 -0.00316 -0.00038 -0.00229 0.00317 0.00145 0.00284 0.00626 0.00033 -0.00080 0.00452 0.00493 0.00124 0.00409 -0.00689 -0.01108 0.00036 0.00082 0.01041 -0.00416 0.00172 -0.00034 0.00142 0.00660 -0.01118 -0.01785 0.00040 0.00128 0.01710 -0.00686 0.00286 -0.00072 0.00232 0.01486 -0.02424 -0.03963 0.00620 0.01813 0.02636 -0.01065 0.00868 -0.00026 -0.00250 -0.05056 0.03829 -0.00935 0.01362 0.09833 -0.03327 -0.01292 0.01716 0.00102 -0.00151 -0.04204 0.03048 -0.01347 0.01008 0.07487 -0.02281 -0.00873 0.01556 0.00626 0.00504 -0.01789 0.03173 0.04811 0.00433 -0.00269 -0.05128 0.02062 -0.00956 0.00593 -0.00417 0.01918 -0.03639 -0.05390 0.00148 0.02913 0.04131 -0.01882 0.01356 0.00712 -0.00226 -0.08001 0.06191 -0.01672 0.02247 0.15934 -0.04779 -0.02360 0.02243 0.00406 -0.00326 -0.06743 0.04789 -0.02241 0.01588 0.12085 -0.03659 -0.01638 0.02053 0.00413 0.00885 -0.02265 0.06596 0.11932 -0.04240 -0.01857 -0.12159 0.02805 -0.01796 0.05084 0.01419 0.00333 0.01323 -0.06068 0.03536 0.00531 0.04121 0.03168 0.01196 -0.08951 0.05540 -0.09200 0.04451 -0.01715 0.01386 0.15092 -0.12615 -0.02042 0.04056 0.00082 0.03413 -0.02424 0.06225 -0.01938 0.02367 0.12443 -0.03014 -0.01830 0.06227 0.04118 -0.05677 0.16993 0.71314 -0.18396 -0.38476 0.10495 0.65729 -1.07581 -0.25360 3.79698 -0.72739 -0.13251 0.26534 -0.07694 -0.24488 -0.11782 0.21553 -0.45546 0.04727 1.97066 -1.45199 0.06655 0.04118 -0.02985 -0.05336 0.04853 0.05897 -0.72688 -0.00631 -0.82555 1.26068 -0.07305 -0.12386 0.05845 0.09275 -0.02424 -0.50063 0.50475 -0.10194 0.75373 -1.25847 0.00579 -0.00295 0.00136 -0.00399 -0.00903 0.00033 0.00444 -0.02249 -0.00047 -0.00181 -0.00271 0.00355 -0.00515 0.00727 0.01063 0.00108 -0.00071 -0.00199 -0.00305 0.00189 0.00196 -0.00074 0.00154 -0.00090 -0.00522 0.00254 0.00170 -0.00646 -0.00328 0.00031 0.00396 -0.00315 -0.00022 0.00108 0.00061 0.00326 0.00324 -0.01233 0.00032 0.00060 -0.00220 0.00143 0.00294 -0.00005 0.01730 0.00382 0.00473 0.00174 0.00151 -0.00178 0.00178 -0.00092 -0.00038 0.00206 -0.00012 0.00201 -0.00107 0.00056 -0.00002 0.00193 0.00288 -0.00154 -0.00067 0.00329 -0.00019 0.00331 -0.00174 0.00094 0.00002 0.00330 0.00914 -0.00532 -0.00015 0.00353 -0.00539 0.00814 0.00007 -0.01835 -0.00820 -0.01182 -0.00100 -0.00754 -0.00136 -0.01477 -0.03759 0.01587 0.01528 -0.11692 -0.00684 -0.00931 0.00722 -0.00336 0.00391 -0.00866 -0.02724 0.01880 0.01022 -0.08967 -0.00378 0.00751 -0.00861 0.00580 0.00353 -0.00906 0.00043 -0.01089 0.00495 -0.00365 0.00115 -0.01387 0.01347 -0.00913 -0.00104 0.00425 -0.00869 0.01218 -0.00010 -0.02754 -0.01086 -0.01260 -0.00049 -0.01176 -0.00141 -0.02225 -0.05931 0.02479 0.02324 -0.17721 -0.00997 -0.01541 0.01105 -0.00542 0.00624 -0.01341 -0.04290 0.02767 0.01578 -0.13604 -0.00632 0.01131 -0.02097 -0.00012 -0.01336 -0.03178 0.00365 -0.02235 0.02751 0.00030 0.00109 0.02581 0.01655 0.00252 0.01007 0.01652 -0.00604 0.01702 0.00009 -0.04603 -0.08150 -0.12663 -0.00647 -0.00857 -0.00504 -0.02369 -0.05488 0.02924 0.03740 -0.27987 -0.02432 -0.04262 0.00941 -0.00752 0.00290 -0.01865 -0.03933 0.05664 0.02332 -0.21302 0.01284 0.06880 -0.08063 0.04476 -0.01443 -0.05336 -0.02723 -0.00853 -0.04081 0.07226 -0.65968 -1.41119 0.02552 -0.00425 0.00056 0.01787 0.01532 -0.00711 0.08251 -0.00375 -1.06663 -0.57893 0.00495 -0.00831 -0.00595 -0.00661 0.00597 0.02031 0.09187 -0.29483 -0.30057 -0.41889 -0.01277 0.02675 -0.01967 -0.01732 -0.01132 0.11524 -0.04236 -0.27616 0.57476 0.64774 0.00648 -0.00390 0.00245 -0.00165 -0.01399 -0.00719 -0.00347 0.01401 0.00007 0.00172 0.00390 -0.00191 0.00110 -0.00051 -0.00798 -0.00167 -0.00159 -0.00262 0.00164 -0.00504 0.00149 -0.00159 0.00020 -0.00116 -0.00335 -0.00107 -0.00052 0.00550 -0.00278 -0.00273 0.00520 -0.00471 0.00040 -0.00186 -0.01046 -0.00228 -0.00159 0.00670 0.00317 0.00114 0.00304 -0.00233 0.00115 -0.00108 -0.00655 -0.00125 0.00075 -0.00694 -0.00285 0.00309 -0.00192 -0.00009 0.00312 0.00015 -0.00094 -0.00217 0.00379 0.00030 -0.00279 0.00688 -0.00319 -0.00021 0.00503 0.00023 -0.00153 -0.00361 0.00624 0.00046 -0.00443 0.01131 -0.00086 0.00015 0.01372 0.00156 -0.00308 0.00318 0.00802 -0.01495 -0.01161 0.00347 0.02796 -0.01681 -0.00217 0.01459 -0.00799 0.02728 0.01832 -0.09748 -0.01163 0.00743 0.02663 -0.00674 0.01280 -0.00538 -0.00260 0.03277 0.01546 -0.07544 0.00255 -0.01915 0.01106 0.00218 -0.01417 0.00012 0.00474 0.01219 -0.02025 -0.00030 0.01095 -0.03658 -0.00209 -0.00020 0.02031 0.00291 -0.00528 0.00370 0.01265 -0.02284 -0.01740 0.00855 0.04548 -0.02570 -0.00275 0.02248 -0.01230 0.04014 0.02740 -0.14842 -0.01677 0.01110 0.04013 -0.01092 0.01977 -0.00772 -0.00464 0.04808 0.02338 -0.11516 0.00317 -0.03111 -0.00056 -0.01954 -0.03574 -0.01716 0.01123 0.00567 -0.04390 -0.01475 0.10249 -0.07729 0.02236 -0.00574 0.01160 -0.01156 0.00786 0.03287 0.00121 -0.02640 -0.02272 0.01554 0.03396 -0.03744 -0.00489 0.02154 -0.00573 0.06815 0.03815 -0.22468 -0.02546 0.03033 0.04214 0.00536 0.02270 -0.00640 -0.00847 0.07938 0.04201 -0.17132 -0.00110 -0.05347 0.13514 -0.02376 -0.04134 -0.05390 0.03359 0.19208 -0.28936 0.12983 -0.84411 0.41124 -0.00463 -0.02298 0.00018 0.00286 0.03434 -0.13479 0.19605 -0.09903 -0.20737 0.13037 -0.01184 -0.02973 0.01273 0.01795 0.01563 0.06561 0.14840 -0.25800 -0.25714 0.09974 0.01461 0.04758 -0.01697 -0.01661 -0.01667 0.14869 -0.04618 -0.20268 0.31794 -0.20110 0.00409 -0.00336 -0.00090 -0.00112 -0.00614 0.00509 0.00076 -0.00275 -0.00196 0.00131 0.00564 -0.00332 0.00221 -0.00153 -0.01008 -0.00172 -0.00132 0.01091 0.00228 -0.00305 -0.00085 0.00130 0.00150 -0.00040 -0.00083 0.00097 0.00061 -0.00293 -0.00130 -0.00148 0.00190 -0.00153 0.00341 -0.00089 -0.00820 -0.00087 0.00136 0.00195 0.00241 -0.00032 0.00717 -0.00506 0.00066 -0.00067 -0.01186 -0.00281 -0.00272 0.01506 -0.00131 0.00271 -0.01475 0.00945 0.00702 -0.00749 0.00196 0.00015 -0.00267 0.00061 -0.00160 -0.00018 -0.02430 0.01535 0.01143 -0.01265 0.00241 0.00073 -0.00401 0.00135 -0.00295 -0.00002 -0.04279 0.03545 0.02848 -0.01196 -0.00517 -0.00068 -0.01307 0.00244 -0.00209 0.00423 -0.04226 0.02983 -0.03411 0.02646 -0.06316 -0.00764 -0.02872 0.00001 -0.00022 -0.00038 -0.01049 -0.01074 0.00347 -0.08619 -0.02168 -0.00257 0.00240 0.00017 0.00451 -0.00298 0.07111 -0.04282 -0.03283 0.04097 -0.00086 -0.01295 -0.00073 -0.00537 0.02068 -0.00672 -0.07755 0.06442 0.05203 -0.02442 -0.01567 0.00494 -0.02236 0.00595 -0.01104 0.01029 -0.07545 0.05894 -0.05880 0.05282 -0.10588 -0.01761 -0.05858 -0.00360 0.00138 -0.00499 -0.02046 -0.00845 0.01020 -0.15258 -0.02688 -0.01726 -0.00551 -0.00578 0.00528 -0.00635 0.20230 -0.14804 -0.11883 0.18642 -0.00012 0.05572 0.21854 -0.03033 -0.27678 0.16520 -0.06822 0.06435 -0.02153 -0.00394 -0.04263 0.03135 -0.02556 0.00567 -0.05012 0.07628 -0.06273 0.02957 -0.02732 0.03368 -0.11342 -0.02463 -0.17622 0.05239 0.02011 -0.03568 -0.06831 -0.05613 0.05162 -0.13731 -0.06407 -0.04174 0.01359 -0.00845 0.05066 0.04995 -0.11151 0.20549 -0.04158 -0.08518 -0.04897 1.20202 -0.24049 0.64822 0.00262 0.13541 -0.01493 0.02547 -0.03050 -0.01548 -0.00526 -0.02779 -0.05504 0.03048 -0.05591 0.06371 0.00074 0.03382 -0.00969 -0.00277 0.00237 0.23676 0.31355 0.24970 0.08480 -0.18093 -0.00431 0.00830 -0.00317 -0.01670 0.00113 0.62835 0.16597 0.27208 -0.13407 0.37409 -0.00351 0.00236 -0.01212 0.01396 -0.01652 0.00812 0.02327 -0.00240 0.00214 -0.00085 -0.00384 0.00243 -0.00769 0.02491 0.00753 0.00945 0.01006 0.00540 0.00293 0.00073 0.00123 0.00292 0.00392 -0.02076 -0.00919 0.02742 0.02309 0.00727 -0.00123 -0.00038 -0.01498 0.01126 0.00773 0.00080 -0.00509 -0.02760 0.02857 -0.00243 -0.00053 -0.00061 0.00435 -0.00848 -0.00246 -0.00683 0.02538 -0.02066 0.00092 0.00281 -0.00197 -0.00134 0.00323 -0.00161 -0.00219 -0.00209 0.00175 -0.00097 -0.00062 0.00527 -0.00307 0.00687 0.01051 -0.01064 -0.00694 0.00078 0.00609 -0.00073 -0.00723 0.00929 -0.00632 0.03535 -0.04132 -0.04924 0.01745 0.03099 0.01276 -0.07796 0.10492 -0.02507 -0.18677 0.21025 0.02959 -0.01761 0.00452 0.00050 0.01946 -0.10995 0.03668 -0.03994 -0.50438 0.70126 0.00158 0.00134 0.00078 -0.00325 0.00138 0.00327 -0.00110 -0.00069 -0.00171 0.00014 0.00283 -0.00123 0.00060 -0.00020 -0.00055 0.00891 0.00115 -0.01052 0.00168 -0.00427 0.00071 -0.00095 0.00107 0.00118 -0.00171 0.00446 0.00356 -0.01039 -0.00370 0.00543 -0.00249 -0.01024 -0.02917 -0.04654 -0.06088 0.03973 0.02123 0.00552 0.00310 -0.00173 -0.00469 -0.01493 -0.04618 -0.07128 -0.09097 0.08001 0.04382 0.01567 0.00362 -0.00439 0.02525 0.04337 -0.06518 -0.05976 -0.04728 0.22753 0.12448 0.03545 0.06468 -0.05764 0.02481 -0.08971 0.00930 0.02057 -0.02073 -0.89364 -0.15454 -0.53387 0.08707 -0.26921 -0.00158 0.00009 -0.00088 -0.00146 -0.00168 0.00035 -0.00259 0.00016 0.00023 -0.00012 -0.00067 0.00340 0.00146 0.00169 0.00088 -0.00045 -0.00149 -0.00035 -0.00108 0.00021 -0.00008 0.00068 0.00234 0.00001 0.00278 0.00170 0.00085 -0.00060 -0.00106 0.00031 0.00033 0.00191 -0.00029 0.00395 0.01141 -0.00285 -0.00340 0.02140 0.00034 0.00197 -0.00205 0.00652 -0.00098 0.00772 0.02587 -0.00536 -0.00225 0.04877 -0.00355 0.00691 -0.00416 0.00711 -0.00962 0.00248 0.02486 0.03458 -0.03037 0.07883 -0.21892 -0.27033 -0.00239 0.01175 -0.01639 -0.01199 0.02278 0.05816 -0.02179 0.57245 -1.32334 -1.75271 0.00006 -0.00004 0.00018 -0.00020 -0.00072 -0.00137 -0.00068 0.00269 0.00175 -0.00178 -0.00012 -0.00014 0.00007 -0.00016 -0.00059 0.00042 -0.00027 0.00361 -0.00710 -0.00775 -0.00018 0.00016 -0.00011 0.00018 0.00069 0.00041 0.00006 -0.00110 -0.00217 -0.00095 -0.00329 0.00206 0.00129 -0.00039 -0.00095 -0.00209 0.00048 -0.00104 0.00195 -0.00288 -0.00533 0.00451 0.00177 -0.00044 -0.00126 -0.00377 0.00211 -0.00218 0.00253 0.00536 -0.00469 -0.00310 0.00257 0.00514 -0.00063 -0.00843 -0.01593 0.01227 -0.34776 -0.16274 -0.01316 -0.02744 0.01856 0.01884 -0.00418 -0.05730 0.01457 0.04072 -1.70097 -0.92753 0.00018 0.00006 0.00004 -0.00004 0.00011 -0.00067 -0.00033 0.00017 -0.00468 -0.00055 -0.00011 0.00024 0.00000 0.00009 0.00047 -0.00089 -0.00026 0.00105 0.00621 0.00071 0.00018 -0.00008 -0.00025 0.00022 0.00047 -0.00024 -0.00059 0.00142 -0.00643 -0.00030 0.00156 -0.00203 0.00006 -0.00452 -0.01050 0.00461 0.00233 -0.02049 -0.00271 0.00074 0.00487 -0.00492 0.00261 -0.00796 -0.02492 0.00540 0.00433 -0.04827 -0.00930 0.00594 0.00514 -0.00246 -0.00239 -0.00533 -0.02448 0.01035 -0.01494 -0.03086 -0.22884 -0.28484 -0.00125 0.00528 0.00329 -0.00662 -0.01578 -0.04243 -0.03019 -0.34911 -1.20376 -1.68529 -0.00061 0.00036 0.00007 -0.00003 0.00068 0.00077 0.00067 -0.00254 0.00321 -0.00016 -0.00005 0.00011 -0.00008 0.00005 0.00045 -0.00006 0.00012 -0.00048 0.00307 0.00301 0.00009 -0.00020 0.00009 -0.00029 -0.00078 -0.00024 0.00008 0.00300 0.00594 0.00745 0.00126 -0.00126 -0.00242 -0.00112 0.00064 0.00242 -0.00077 0.00075 -0.01271 0.00746 0.00207 -0.00209 -0.00390 -0.00186 0.00104 0.00407 -0.00131 0.00126 -0.02088 0.01178 0.01425 -0.00880 -0.00715 -0.00217 -0.01381 -0.00104 -0.00907 0.02273 0.02319 -0.02300 0.04925 -0.03087 0.01538 -0.01024 -0.09201 -0.04156 -0.02536 0.13490 -0.00535 0.02276 0.03391 -0.02690 0.00914 -0.01058 -0.07158 -0.03158 -0.01603 0.10339 0.02202 -0.01755 -0.00714 0.00831 0.01299 0.00597 -0.00313 -0.01537 0.00561 -0.00513 0.06508 -0.02403 0.02265 -0.01593 -0.01124 -0.00481 -0.02161 -0.00116 -0.01624 0.03550 0.03323 -0.02781 0.08091 -0.04970 0.02474 -0.01650 -0.15133 -0.06553 -0.03906 0.21374 -0.00723 0.02996 0.05588 -0.04451 0.01489 -0.01770 -0.11760 -0.05004 -0.02455 0.16384 0.03155 -0.02068 -0.02402 0.01930 0.02690 0.03488 -0.02107 -0.04623 0.01802 -0.01079 0.21648 -0.40246 0.02828 -0.01957 -0.01639 -0.01290 -0.01678 0.00342 -0.02136 0.07698 0.10500 -0.03479 0.07787 -0.04717 0.02715 -0.01137 -0.14906 -0.13603 -0.08506 0.41035 -0.02733 0.01406 0.04475 -0.04196 0.01605 -0.01605 -0.11323 -0.08164 -0.04370 0.31872 0.08529 0.00564 0.04263 -0.13173 0.05195 0.10819 0.03837 -0.10012 -0.29729 0.00481 -0.96780 -0.95265 0.01035 0.04552 -0.01660 -0.03401 -0.01138 0.07501 0.07278 0.04475 2.16139 -2.97571 0.02792 -0.02933 0.00212 0.01361 -0.00405 -0.13411 -0.14382 0.46172 -1.51820 1.87258 -0.02390 0.01291 0.00799 -0.00874 -0.02169 0.00243 0.04526 0.31272 1.52599 -1.71570 0.00030 0.00122 0.00082 0.00126 0.00588 -0.00017 0.00013 0.01231 0.00190 0.00027 -0.00383 0.00033 -0.00309 -0.00022 0.00033 -0.00408 -0.00184 0.01038 -0.00306 0.01044 0.00066 0.00018 -0.00005 0.00119 0.00156 0.00040 -0.00008 0.00297 -0.00331 -0.00181 -0.00130 0.00047 -0.00080 0.00194 0.00295 -0.00067 -0.00258 0.01145 0.00127 -0.00168 -0.00339 0.00260 0.00140 -0.00225 -0.00052 -0.00440 -0.00254 0.00900 0.00305 -0.00658 -0.00046 -0.00319 -0.00676 0.00043 0.00019 0.00081 -0.00070 -0.00049 0.00570 0.00521 0.00163 -0.00332 -0.01127 -0.00003 0.00015 -0.00117 -0.00274 -0.00280 0.02142 -0.03369 -0.00148 -0.00785 -0.00066 0.00632 -0.00297 -0.01424 -0.01711 0.00838 -0.50309 0.67291 0.00964 -0.00977 -0.01205 0.00348 0.00622 -0.07062 -0.06324 0.07911 -3.37887 5.25737 0.00040 -0.00068 0.00004 0.00004 -0.00127 -0.00033 -0.00112 0.00415 -0.00863 0.00705 0.00402 -0.00245 0.00100 -0.00103 -0.00773 -0.00553 -0.00379 0.02074 0.00634 -0.00667 0.00286 -0.00226 0.00083 -0.00089 -0.00601 -0.00445 -0.00217 0.01646 -0.00357 0.00874 -0.00547 0.00461 0.00005 0.00362 -0.01254 0.00430 0.01341 0.00032 0.00119 -0.00111 -0.00895 0.00746 0.00013 0.00583 -0.02052 0.00723 0.02196 0.00072 0.00204 -0.00195 0.01863 -0.01204 0.00202 -0.01223 0.02866 0.14730 -0.04832 0.02793 0.00457 0.00231 0.05124 -0.03514 0.00169 -0.02306 0.06499 -0.10292 -0.01692 -0.01608 -0.00242 -0.00557 -0.00726 0.01533 -0.00494 0.00608 -0.01448 -0.12966 0.03589 -0.02414 -0.00624 0.00222 0.02229 -0.01864 -0.00195 -0.01362 0.06001 -0.02719 -0.06617 -0.00634 -0.00804 0.00865 0.02857 -0.01600 0.00215 -0.02000 0.04368 0.22928 -0.07209 0.04077 0.00531 0.00574 0.08075 -0.05318 0.00300 -0.03481 0.09920 -0.16017 -0.02271 -0.02749 -0.00325 -0.00986 -0.01274 0.02465 -0.00795 0.00778 -0.02393 -0.20042 0.05611 -0.03728 -0.01132 0.00609 0.08828 -0.05346 0.00886 -0.06030 0.12193 -0.01435 -0.19791 0.02017 -0.00150 0.00152 -0.00614 -0.03048 0.01195 0.01396 0.02852 0.27935 -0.09799 0.07368 0.02284 -0.02030 -0.00311 0.00431 -0.00947 -0.01241 0.02708 -0.18921 -0.02661 -0.01674 0.01184 -0.02372 0.00955 -0.02282 0.00145 0.03146 0.01172 -0.24667 0.06141 -0.04119 -0.01403 -0.00815 -0.03089 0.06244 -0.03289 -0.11578 -0.01525 -0.33330 -0.18816 0.05701 0.29226 -0.25377 -0.10699 0.00527 -0.00713 -0.00239 -0.02555 0.01303 -0.27203 -0.05533 0.02672 -0.01289 -0.09965 0.08647 0.00957 0.02497 -0.08743 -0.07142 -0.08348 -0.02990 0.00067 0.06161 -0.01637 -0.03554 -0.02622 0.01988 0.07334 -0.27370 -0.04399 -0.08324 0.05798 -0.28698 -0.02866 0.01455 0.00252 0.00293 -0.01300 0.00103 -0.00043 0.00116 -0.00047 0.00046 -0.01896 0.01352 -0.00382 0.00794 -0.01690 -0.00489 0.00303 -0.00184 0.00092 -0.00123 -0.00548 -0.01604 0.00521 0.00545 0.00206 -0.00878 -0.00223 -0.00219 -0.00010 -0.00050 -0.00865 0.00801 -0.00123 0.00951 -0.00820 0.01199 -0.00451 0.00233 -0.00021 -0.00002 0.00521 -0.01949 0.00779 0.00452 0.01093 0.00702 0.00036 0.00157 0.00086 0.00001 -0.00028 0.00095 0.00356 -0.01363 -0.00065 0.00073 -0.00048 0.00067 -0.00008 0.00004 -0.00062 0.00164 0.00575 -0.02224 -0.00121 0.00124 -0.00079 0.00112 -0.00028 0.00032 0.00703 0.00297 -0.00230 0.04311 -0.00380 -0.00902 -0.06712 -0.01470 -0.00197 0.00038 0.00020 0.00790 0.01207 -0.04631 -0.00259 -0.01765 -0.19502 -0.03904 -0.00654 -0.00083 0.00503 0.00066 -0.03044 0.07324 -0.00122 -0.01098 -0.07450 -0.01575 0.00034 0.00357 0.00388 -0.00683 -0.01374 0.06174 0.00773 -0.00436 0.00331 -0.00419 0.00465 -0.00668 0.01242 0.00550 0.00045 0.06656 -0.00585 -0.01382 -0.10401 -0.02270 -0.00264 -0.00037 -0.00135 0.01265 0.01805 -0.07084 -0.00608 -0.02940 -0.30082 -0.06137 -0.00854 -0.00144 0.00995 -0.00038 -0.04903 0.11061 -0.00122 -0.01690 -0.11689 -0.02493 0.00150 0.00533 -0.00926 -0.00907 -0.04880 0.14704 -0.01790 -0.00599 -0.01050 -0.00293 -0.03328 0.05247 -0.01346 -0.01313 -0.06443 -0.00431 0.00894 -0.02209 -0.13293 -0.02047 -0.00289 -0.00324 0.02187 0.00891 0.00538 -0.01268 0.00181 -0.02259 -0.37254 -0.07487 -0.02470 -0.00025 -0.00758 0.01223 0.04369 0.02630 0.00506 -0.02572 -0.13288 -0.03163 0.00369 0.01910 -0.02680 0.11917 0.01171 -0.06328 0.02011 0.16656 0.03045 -0.05777 1.00251 -0.48458 -0.06157 0.02098 -0.00284 -0.07655 -0.01200 0.12631 0.03598 0.08145 0.39058 -0.40334 0.03745 -0.04094 -0.02200 0.08136 0.00259 -0.03127 -0.10908 -0.08404 -0.06539 0.07008 -0.03203 -0.00234 0.07856 -0.09955 0.02888 -0.18098 -0.17358 -0.06462 0.04621 -0.13435 0.01413 0.01423 0.01959 0.01565 -0.00361 -0.00185 -0.00821 -0.00154 -0.00012 -0.00046 0.00141 -0.00748 -0.03082 0.03093 -0.00627 -0.00050 -0.00810 -0.00120 -0.00056 0.00042 0.00765 0.01795 -0.00384 -0.01413 0.00202 -0.00023 -0.01045 0.00025 -0.00012 -0.00043 -0.01729 -0.01446 -0.00249 -0.02288 0.00103 -0.00224 -0.01175 -0.00096 -0.00030 0.00032 -0.02211 -0.02159 0.01838 0.00244 -0.00491 -0.00140 -0.00604 -0.00106 0.00011 -0.00073 0.00051 -0.00088 -0.00401 0.00208 -0.00186 0.00016 0.00068 -0.00109 -0.00164 -0.00156 0.00086 -0.00144 -0.00653 0.00345 -0.00307 0.00031 0.00115 -0.00183 -0.00273 -0.00255 -0.07164 -0.07789 -0.13813 -0.13370 0.01915 0.00761 0.04810 0.01330 0.00351 0.00009 -0.07812 -0.11468 0.06874 0.09766 -0.02100 0.01573 0.13995 0.01449 0.00259 0.00184 -0.06274 -0.06105 0.01085 -0.13695 0.01081 0.00694 0.05540 0.00882 0.00119 -0.00311 -0.00348 0.00496 0.02384 -0.01359 0.00982 -0.00229 -0.00417 0.00645 0.00880 0.00741 -0.10548 -0.11482 -0.20453 -0.19588 0.02808 0.01129 0.07062 0.01939 0.00608 0.00037 -0.11569 -0.16966 0.10344 0.14309 -0.03144 0.02276 0.20466 0.01994 0.00382 0.00419 -0.09262 -0.09042 0.01267 -0.20106 0.01619 0.01020 0.08146 0.01368 0.00176 -0.00647 0.00139 0.01497 0.07093 -0.02690 0.01604 0.01073 0.00145 0.00677 0.01997 0.02353 -0.10249 -0.11487 -0.19876 -0.19016 0.02374 0.01213 0.08331 0.02451 -0.00426 -0.00354 -0.11728 -0.16686 0.09250 0.13818 -0.02908 0.02826 0.25214 0.03289 0.00491 -0.00516 -0.08731 -0.08712 0.02953 -0.19282 0.01577 0.01255 0.10118 0.01100 0.00914 0.00711 -0.01572 -0.07388 0.06111 -0.04041 0.00028 -0.25701 -0.05496 -0.06902 -0.23832 0.06456 0.00628 0.01290 -0.02700 -0.01513 -0.00008 0.05229 0.06717 -0.00499 0.06976 0.02462 -0.01598 -0.00675 0.01610 0.01142 -0.00042 0.02520 0.12105 0.03149 0.01631 0.03493 -0.02041 -0.03269 -0.00209 -0.02564 -0.00613 -0.05578 0.07231 0.00585 -0.07855 -0.00584 -0.00623 -0.00667 -0.00305 -0.00777 0.00096 -0.00059 -0.00421 -0.00083 0.00015 -0.00007 -0.00240 -0.00253 -0.00801 -0.00106 0.00041 -0.00049 -0.00106 0.00022 0.00002 0.00041 -0.00497 -0.00624 0.00528 0.00427 -0.00133 -0.00061 -0.00552 -0.00143 -0.00026 0.00002 0.00117 0.00092 0.00466 0.00335 -0.00093 -0.00031 -0.00064 -0.00038 -0.00000 0.00009 0.00299 0.00479 -0.00058 -0.00152 0.00116 0.00021 0.00311 0.00199 0.00010 -0.00013 0.00077 0.00176 0.00049 0.00306 -0.00202 0.00093 0.00105 -0.00002 -0.00014 -0.00048 0.00124 0.00290 0.00070 0.00500 -0.00336 0.00156 0.00174 -0.00004 -0.00021 -0.00080 0.02367 0.03848 -0.03211 -0.07052 0.01666 0.00664 0.04958 0.01098 0.00134 0.00061 0.12461 0.11671 -0.09484 0.05422 0.01382 0.01167 0.14530 0.02534 0.00506 0.00161 0.02399 0.08889 0.23697 -0.07857 0.02611 0.00452 0.05043 0.00916 -0.00077 -0.00102 -0.00442 -0.00980 -0.00218 -0.01953 0.01193 -0.00521 -0.00592 0.00034 0.00001 0.00301 0.03613 0.05721 -0.04549 -0.10230 0.02495 0.00916 0.07231 0.01606 0.00211 0.00062 0.18406 0.17364 -0.14180 0.07823 0.02029 0.01698 0.21344 0.03714 0.00658 0.00325 0.03677 0.13231 0.35186 -0.11329 0.03888 0.00539 0.07389 0.01280 -0.00098 -0.00107 -0.01364 -0.02241 -0.02820 -0.04531 0.01920 -0.01330 -0.01094 -0.00012 0.00919 0.00015 0.03173 0.05316 -0.05418 -0.10153 0.02422 0.01052 0.09124 0.02059 0.00854 -0.00387 0.17812 0.16572 -0.12556 0.07858 0.02151 0.02187 0.25850 0.04611 0.01214 0.00088 0.03255 0.12330 0.32195 -0.11176 0.03365 0.01304 0.09051 0.01877 -0.00314 -0.00464 -0.04906 0.01225 -0.02836 -0.05021 -0.01973 0.08760 0.09387 0.09375 0.02620 -0.13905 0.00189 0.02113 -0.00732 -0.01014 -0.00462 0.02106 0.06053 0.02060 -0.03237 0.01724 0.01845 0.02150 -0.01109 0.00103 -0.00075 0.00882 0.12693 0.02615 -0.00723 0.03047 0.01095 0.01374 0.02927 -0.00031 0.00448 0.01288 0.07504 0.00943 -0.02564 0.03752 0.00081 -0.00069 -0.00112 0.00326 -0.00090 -0.00013 -0.00018 -0.00016 -0.00013 0.00011 0.00216 0.00598 0.01350 -0.00084 0.00132 -0.00055 -0.00268 -0.00059 -0.00002 0.00006 -0.00147 -0.00236 -0.00427 -0.00047 -0.00045 0.00051 0.00015 0.00039 -0.00005 -0.00005 0.00531 0.00549 -0.00284 -0.00302 0.00141 -0.00041 -0.00449 -0.00100 0.00011 -0.00012 0.00807 0.00809 -0.00575 0.00243 0.00041 -0.00021 -0.00496 -0.00111 -0.00024 0.00016 0.00125 -0.00354 0.00066 0.00005 0.00191 -0.00082 -0.00176 0.00074 -0.00231 0.00441 0.00202 -0.00583 0.00107 0.00008 0.00311 -0.00146 -0.00292 0.00124 -0.00377 0.00731 -0.00596 -0.02324 -0.01696 0.06874 -0.02139 -0.09735 0.02485 -0.02532 -0.00051 -0.00800 -0.13209 0.01442 0.01678 0.10007 -0.06781 0.06231 0.00227 0.01323 0.00016 0.00131 -0.02591 -0.05958 0.03745 0.02660 0.02835 0.08322 -0.03341 0.01904 0.00276 -0.00212 -0.00771 0.02186 -0.00396 -0.00016 -0.01143 0.00715 0.00986 -0.00402 0.01089 -0.02313 -0.00799 -0.03500 -0.02523 0.10103 -0.03002 -0.14150 0.03623 -0.03750 -0.00067 -0.01378 -0.19360 0.01885 0.02522 0.14816 -0.09811 0.09053 0.00283 0.01856 -0.00083 0.00251 -0.03838 -0.08728 0.05526 0.03886 0.04145 0.12141 -0.04946 0.02881 0.00507 -0.00449 -0.03309 0.04717 -0.01133 -0.00620 -0.03610 -0.01269 0.02337 -0.01310 0.03242 -0.04833 -0.00389 -0.03291 -0.02503 0.10097 -0.03332 -0.17771 0.04169 -0.04365 -0.00532 0.00027 -0.18799 0.02463 0.02426 0.13992 -0.10316 0.11142 0.00811 0.02239 0.00838 -0.00333 -0.03591 -0.08956 0.05624 0.04117 0.04636 0.15518 -0.06341 0.03404 -0.00660 0.01069 0.02352 0.05587 0.01028 0.03060 -0.07210 0.24636 0.09969 0.06381 -0.12583 0.26821 0.01496 0.00010 -0.00980 0.00753 0.01330 -0.12791 0.05308 -0.02859 0.01472 -0.09047 -0.00443 -0.00024 -0.00231 0.02455 -0.01256 0.11538 0.00997 0.02689 -0.03551 0.06441 -0.00608 -0.00793 0.00804 -0.00591 0.00385 0.05108 -0.03745 0.00975 0.05819 -0.09350 0.00377 0.00341 -0.00282 -0.00254 -0.00122 0.00692 -0.00058 0.00061 0.00027 0.00013 -0.00046 0.00216 0.00027 -0.00268 -0.00064 -0.00236 0.00198 -0.00075 -0.00029 0.00077 0.00409 -0.00154 0.00024 -0.00384 0.00226 0.00030 0.00100 0.00007 -0.00008 -0.00001 0.00336 0.00143 -0.00048 -0.00369 0.00058 0.00009 0.00095 0.00103 -0.00005 0.00038 0.00285 -0.00180 -0.00073 0.00057 0.00092 0.00489 -0.00084 0.00055 0.00062 -0.00041 0.00101 -0.00143 0.00100 -0.00161 0.00193 -0.00049 -0.00083 -0.00008 -0.00094 0.00062 0.00165 -0.00241 0.00167 -0.00262 0.00322 -0.00086 -0.00134 -0.00011 -0.00157 0.00104 -0.08472 -0.00328 0.02072 0.01341 -0.03358 -0.11090 0.02489 -0.02037 -0.00081 -0.00284 -0.08093 0.16606 -0.04262 -0.02709 -0.10770 0.07199 -0.00740 0.01004 0.00056 0.00447 0.07436 -0.08607 0.00794 0.04712 0.04414 0.09787 -0.01114 0.01653 0.00353 -0.00305 -0.00748 0.00858 -0.00557 0.00945 -0.01293 0.00380 0.00314 -0.00013 0.00544 -0.00399 -0.12431 -0.00393 0.03095 0.01915 -0.04914 -0.16322 0.03714 -0.02986 -0.00096 -0.00361 -0.11680 0.24713 -0.06336 -0.04187 -0.15799 0.10611 -0.01070 0.01443 0.00126 0.00672 0.11049 -0.12653 0.01088 0.07028 0.06444 0.14370 -0.01670 0.02322 0.00457 -0.00354 -0.01691 0.00756 -0.00467 0.03176 -0.01049 -0.00302 0.02095 0.01087 0.01254 -0.00960 -0.12152 -0.00938 0.02663 0.02507 -0.04485 -0.20109 0.05123 -0.03459 -0.00081 -0.01262 -0.11437 0.22235 -0.05732 -0.03197 -0.15012 0.12621 -0.00572 0.02130 -0.00088 0.00552 0.10157 -0.12127 0.01094 0.06857 0.06672 0.17266 -0.01611 0.03646 0.01228 -0.01544 -0.11798 -0.05321 -0.01444 0.06018 -0.01041 -0.04569 -0.10968 -0.06556 0.02128 -0.20028 -0.01239 -0.00749 0.00552 0.01062 -0.00684 -0.10993 0.03463 -0.02002 0.01096 -0.05491 -0.01654 -0.00537 -0.01135 -0.00394 -0.01662 0.07018 -0.01177 0.00780 0.00102 -0.01750 -0.00308 -0.00360 0.00849 0.00812 -0.00355 0.09824 -0.07021 -0.00397 -0.00154 0.02187 0.00590 -0.00472 -0.00018 0.00302 0.00231 -0.00326 0.00222 -0.00070 -0.00024 -0.00004 -0.00022 -0.00351 0.00091 0.00269 -0.00021 -0.00069 0.00048 -0.00029 0.00012 -0.00003 -0.00026 0.00434 -0.00173 -0.00022 -0.00221 -0.00401 -0.00060 -0.00103 -0.00029 -0.00010 -0.00351 -0.00349 0.00187 0.00163 -0.00014 0.00518 -0.00147 0.00085 0.00019 0.00012 -0.00390 0.00729 -0.00196 -0.00178 -0.00349 0.00017 -0.00009 0.00021 0.00000 -0.00008 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 H 1S 2S 3S 4S 5PX 5PY 5PZ 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 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 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 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 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 O 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 O 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 O 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 20 O 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 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 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 H 1S|2S|3S|4S|5PX|5PY|5PZ|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 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|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 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|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 O 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 O 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 O 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|20 O 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 1.10434 0.88495 0.18428 0.23205 0.22225 0.73923 0.46059 0.55038 0.53226 0.49459 0.16021 0.33633 0.30278 0.14865 -0.01136 0.00247 -0.00338 0.01285 0.01432 0.00564 0.01475 0.01076 1.10440 0.88463 0.20159 0.20924 0.22828 0.75670 0.47102 0.49904 0.52048 0.47056 0.08345 0.30385 0.27915 0.26490 0.01303 0.02716 0.00909 0.01298 0.01791 0.00974 0.01445 0.01764 0.26768 0.46469 0.01608 -0.03046 0.00415 0.00995 0.01274 1.10455 0.88461 0.24998 0.18229 0.19261 0.76503 0.56165 0.45298 0.46409 0.49051 0.20610 0.26052 0.19487 0.09484 0.07498 -0.02007 -0.05710 0.01469 0.02160 0.01039 0.01207 0.01634 1.09530 0.89604 0.25831 0.27331 0.26611 0.85702 0.59729 0.62224 0.60763 0.61280 0.33095 0.44503 0.38455 -0.24614 -0.02115 -0.04395 -0.02427 0.01003 0.00902 0.00534 0.00937 0.00785 1.09526 0.89593 0.25774 0.27450 0.27332 0.85401 0.59020 0.62722 0.62241 0.62975 0.28171 0.46326 0.42653 -0.16699 -0.02741 -0.00673 0.05633 0.00534 0.00860 0.00477 0.00748 0.00761 1.13200 0.85482 0.16664 0.14973 0.17187 0.63197 0.39304 0.35812 0.39807 0.03042 0.04854 0.05495 0.13606 0.01469 0.00266 0.01071 0.03451 0.02723 0.02427 0.02434 0.02880 0.02902 0.25639 0.37282 -0.06831 -0.00454 0.01260 0.01401 0.01606 0.26308 0.51734 0.15123 -0.07379 0.00226 0.00350 0.00631 0.27029 0.47360 0.01228 -0.00952 0.00381 0.01356 0.00459 0.27051 0.48146 0.03570 0.01289 0.00930 0.00703 0.00611 0.27017 0.47213 0.01430 -0.00828 0.00321 0.00568 0.01309 1.10440 0.88476 0.22780 0.20303 0.20877 0.76271 0.50449 0.48291 0.48394 0.41914 0.11111 0.21878 0.16199 -0.06764 0.05567 0.02006 0.01638 0.02315 0.02340 0.01418 0.01951 0.02227 0.26643 0.47777 -0.00611 -0.06611 0.01017 0.00844 0.00743 1.09583 0.89570 0.23689 0.27186 0.23352 0.92355 0.55295 0.62097 0.54986 0.56531 0.26717 0.31549 0.22256 0.20643 0.04924 0.14649 0.10460 0.03456 0.02567 0.02510 0.02112 0.02090 1.09581 0.89572 0.25084 0.22914 0.26412 0.92079 0.58108 0.54148 0.60826 0.56565 0.18216 0.36405 0.26397 0.23488 0.16650 0.06556 0.12052 0.02671 0.03893 0.01543 0.02106 0.02536 1.08466 0.90859 0.34675 0.31352 0.29052 1.02647 0.72116 0.65935 0.62546 0.90427 0.50243 0.52411 0.33455 -0.15464 -0.02442 0.00063 -0.00163 0.00559 0.00664 0.00366 0.00129 0.00159 1.08466 0.90855 0.26483 0.29802 0.38651 1.02939 0.58183 0.63265 0.79177 0.91206 0.25022 0.47326 0.58574 -0.24175 -0.01641 0.01234 -0.00360 0.00260 0.00371 0.00049 0.00687 0.00603 1.08465 0.90860 0.32981 0.34355 0.27838 1.02279 0.68784 0.71667 0.60314 0.91046 0.53641 0.49815 0.36066 -0.17716 -0.01174 0.00043 -0.00529 0.00514 0.00367 0.00549 0.00146 0.00241 1.08467 0.90855 0.27525 0.36379 0.31038 1.03061 0.59641 0.75111 0.65819 0.90979 0.34493 0.52790 0.42726 -0.20755 -0.01000 -0.00143 -0.01601 0.00342 0.00624 0.00300 0.00415 0.00349 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 C C H C N N B H H H H H C H N N O O O O -0.398941 -0.399305 0.255163 -0.177510 0.047340 -0.180847 0.277534 0.400973 0.130061 0.231389 0.177009 0.229698 0.099193 0.301984 -0.385753 -0.478005 -0.080551 0.030208 -0.105500 0.025861 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 44 45 46 47 48 49 50 51 52 53 O O O O O V V V V V -0.388763 -0.376706 -0.366203 -0.361756 -0.353121 0.006927 0.012784 0.020395 0.026171 0.042688 2.164099 2.408501 2.557656 2.399477 1.615667 2.362911 2.474692 1.491428 0.160699 0.158528 6.989614540944D+02 16.3733 -0.4049 2.3210 16.5420 -62.4567 -81.3887 -76.5701 -2.9347 -2.7247 1.7164 11.0151 -7.9168 -3.0983 -2.9347 -2.7247 1.7164 166.3179 23.1201 1.1965 30.7198 -1.3732 2.3854 25.8259 -3.6997 -3.0389 -24.7052 -1883.8335 -548.1452 -503.5246 -17.8666 -53.0009 -38.9095 180.3143 -4.5449 174.7316 -483.6522 -420.4516 -182.3848 44.9613 9.0147 -14.7209 0 -701.249236 6.857E-9 8.452E-6 8.1894545,-5.8859764,-2.3034781,-2.181902,-2.0257481,1.2761035 C01 [X(C4H7B1N4O4)] 6.4417561 -0.1592968 0.9131546 -0.000002209 0.000002388 0.000003219 -0.000008324 0.000003951 -0.000002645 0.000001976 0.000003607 0.000000853 -0.000006155 0.000003244 -0.000002575 -0.000004792 -0.000006742 -0.000002110 -0.000002152 -0.000000672 -0.000001548 0.000015883 -0.000009250 -0.000010465 0.000001227 -0.000002084 0.000006885 -0.000004243 0.000000901 0.000008071 -0.000001958 0.000004627 -0.000001304 -0.000001392 0.000004732 -0.000000916 0.000000085 0.000005501 -0.000001956 0.000012288 0.000005319 -0.000003576 0.000000165 -0.000001089 -0.000001505 0.000019221 -0.000006295 0.000040612 0.000004627 -0.000002953 -0.000007625 -0.000005208 -0.000002136 0.000011453 -0.000008178 -0.000000084 -0.000000546 -0.000000202 0.000004086 -0.000019200 -0.000010658 -0.000007051 -0.000015121 178.87820000000002 AuxInfo=1/0/N:1,2,13,4,7,6,5,15,16,19,20,17,18/E:(8,9)(10,11,12,13)/CRV:2.3,3.3,4.3,5.4,10.1,11.1,12.1,13.1/rA:20nCC3HC3NNB4HHHHHC3HNNO1O1O1O1/rB:;s2;s2;s1s2;s4;s4;s6;s7;s1;s1;s1;s5s6;s13;s7;s7;s16;s16;s15;s15;/rC:3.9475,.3643,-.7815;1.4456,.5729,-.5334;1.3447,1.2184,-1.3874;.4943,.0803,.3095;2.6728,.079,-.1342;1.1952,-.7043,1.2069;-1.0815,.3025,.4775;.7267,-1.256,1.9181;-1.3562,.9643,1.438;4.1515,1.4328,-.7261;4.7366,-.1836,-.2707;3.902,.049,-1.8229;2.4918,-.7018,.9245;3.2612,-1.2407,1.4509;-1.7536,-1.1269,.7018;-1.7502,.9851,-.789;-1.095,1.1553,-1.8138;-2.9074,1.3499,-.6855;-1.3122,-1.7712,1.6592;-2.6299,-1.5546,-.0173; Gaussian 16 GINC-IRENE5455 PENASFRA no2_nmeimidazole_h2 AS64L-G16RevC.02 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 0 178.87820000000002 AuxInfo=1/0/N:1,2,13,4,7,6,5,15,16,19,20,17,18/E:(8,9)(10,11,12,13)/CRV:2.3,3.3,4.3,5.4,10.1,11.1,12.1,13.1/rA:20nCC3HC3NNB4HHHHHC3HNNO1O1O1O1/rB:;s2;s2;s1s2;s4;s4;s6;s7;s1;s1;s1;s5s6;s13;s7;s7;s16;s16;s15;s15;/rC:3.9475,.3643,-.7815;1.4456,.5729,-.5334;1.3447,1.2184,-1.3874;.4943,.0803,.3095;2.6728,.079,-.1342;1.1952,-.7043,1.2069;-1.0815,.3025,.4775;.7267,-1.256,1.9181;-1.3562,.9643,1.438;4.1515,1.4328,-.7261;4.7366,-.1836,-.2707;3.902,.049,-1.8229;2.4918,-.7018,.9245;3.2612,-1.2407,1.4509;-1.7536,-1.1269,.7018;-1.7502,.9851,-.789;-1.095,1.1553,-1.8138;-2.9074,1.3499,-.6855;-1.3122,-1.7712,1.6592;-2.6299,-1.5546,-.0173; no2_nmeimidazole_h2 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 1 1 1 1 2 2 2 4 4 5 6 7 7 7 8 13 15 15 16 16 5 10 11 12 3 4 5 6 7 13 13 9 15 16 9 14 19 20 17 18 1.4577 1.0892 1.0881 1.0891 1.0753 1.3632 1.3818 1.3828 1.6002 1.3279 1.327 1.1984 1.5954 1.5865 3.082 1.0768 1.2356 1.2116 1.2283 1.2177 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 5 5 5 10 10 11 3 3 4 2 2 6 1 1 2 4 4 4 4 9 9 15 7 5 5 6 7 7 19 7 7 17 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 7 7 7 7 7 9 13 13 13 15 15 15 16 16 16 10 11 12 11 12 12 4 5 5 6 7 7 2 13 13 13 9 15 16 15 16 16 8 6 14 14 19 20 20 17 18 18 109.4642 109.0979 109.3546 109.531 109.9025 109.474 129.9828 121.8308 108.1782 104.6318 134.5814 120.6523 125.335 126.0337 108.6293 110.8609 112.7443 107.7678 113.0195 106.5884 107.7938 108.6717 64.663 107.6963 125.9218 126.3802 115.1926 122.5143 122.2924 120.0549 117.4946 122.4302 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 10 10 11 11 12 12 3 3 5 5 3 3 4 4 2 7 2 2 2 6 6 6 1 1 2 2 4 4 4 15 16 4 4 9 9 16 16 4 4 9 9 15 15 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 13 13 13 13 13 13 9 9 9 15 15 15 15 15 15 16 16 16 16 16 16 2 13 2 13 2 13 6 7 6 7 1 13 1 13 13 13 9 15 16 9 15 16 6 14 6 14 5 14 8 8 8 19 20 19 20 19 20 17 18 17 18 17 18 61.8971 -118.6756 -178.2615 1.1657 -58.5555 120.8718 179.1581 -5.2272 0.2053 175.8199 0.6217 -178.8895 179.6773 0.1661 -0.5176 -176.8879 -106.3289 136.3221 16.2284 68.7375 -48.6114 -168.7052 -179.9927 -0.4543 -0.4858 179.0526 0.6329 -178.9028 -45.543 72.5005 -170.9841 56.7264 -122.9596 -64.5437 115.7703 179.5281 -0.158 7.6699 -170.7288 132.9472 -45.4514 -111.9051 69.6963 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. 0.00043 0.00064 0.00239 0.00616 0.00811 0.00895 0.01501 0.01905 0.02184 0.03574 0.04584 0.04818 0.05110 0.05205 0.05809 0.05974 0.06113 0.06283 0.09919 0.11519 0.11836 0.12829 0.13472 0.15671 0.16368 0.17984 0.18394 0.19401 0.19640 0.21064 0.21331 0.22985 0.24396 0.26651 0.30596 0.34808 0.34986 0.35430 0.36999 0.37563 0.38339 0.38511 0.38927 0.43776 0.45178 0.47153 0.49624 0.55976 0.57431 0.61075 0.82926 0.83514 1.08658 10.30525 Angle between quadratic step and forces= 76.31 degrees. 1 2 0.00007842 0.00000001 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 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 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 2.75471 2.05831 2.05619 2.05815 2.03194 2.57605 2.61119 2.61310 3.02396 2.50940 2.50764 2.26458 3.01483 2.99809 5.82411 2.03490 2.33487 2.28956 2.32107 2.30118 1.91051 1.90412 1.90860 1.91168 1.91816 1.91068 2.26863 2.12635 1.88807 1.82617 2.34889 2.10578 2.18751 2.19970 1.89594 1.93489 1.96776 1.88090 1.97256 1.86032 1.88136 1.89668 1.12858 1.87965 2.19775 2.20575 2.01049 2.13828 2.13440 2.09535 2.05067 2.13681 1.08031 -2.07128 -3.11125 0.02035 -1.02199 2.10961 3.12690 -0.09123 0.00358 3.06864 0.01085 -3.12221 3.13596 0.00290 -0.00903 -3.08728 -1.85579 2.37927 0.28324 1.19970 -0.84843 -2.94446 -3.14147 -0.00793 -0.00848 3.12506 0.01105 -3.12244 -0.79488 1.26537 -2.98424 0.99006 -2.14605 -1.12650 2.02057 3.13336 -0.00276 0.13386 -2.97978 2.32037 -0.79328 -1.95311 1.21643 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00002 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 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00004 -0.00000 0.00000 -0.00000 0.00000 -0.00001 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 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 -0.00000 0.00001 0.00001 -0.00004 -0.00001 0.00001 0.00004 0.00001 0.00002 -0.00004 0.00000 -0.00004 0.00004 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00002 0.00001 0.00004 -0.00003 -0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00002 0.00002 -0.00000 0.00003 -0.00001 -0.00000 -0.00002 -0.00002 0.00002 0.00001 -0.00001 0.00003 -0.00002 0.00005 -0.00006 0.00001 -0.00004 0.00004 -0.00000 -0.00012 0.00010 -0.00013 0.00009 -0.00011 0.00011 0.00008 0.00016 0.00002 0.00010 0.00010 -0.00008 0.00015 -0.00003 -0.00001 -0.00007 -0.00008 -0.00007 -0.00008 0.00000 0.00002 0.00000 -0.00016 -0.00022 0.00002 -0.00003 -0.00001 0.00005 0.00000 -0.00001 -0.00001 -0.00011 -0.00004 -0.00013 -0.00006 -0.00011 -0.00004 -0.00019 -0.00014 -0.00016 -0.00011 -0.00019 -0.00014 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00004 -0.00001 0.00001 0.00004 0.00001 0.00002 -0.00004 0.00000 -0.00004 0.00004 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00002 0.00001 0.00004 -0.00003 -0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00002 0.00002 -0.00000 0.00003 -0.00001 -0.00000 -0.00002 -0.00002 0.00002 0.00001 -0.00001 0.00003 -0.00002 0.00005 -0.00006 0.00001 -0.00004 0.00004 -0.00000 -0.00012 0.00010 -0.00013 0.00009 -0.00011 0.00011 0.00008 0.00016 0.00002 0.00010 0.00010 -0.00008 0.00015 -0.00003 -0.00001 -0.00007 -0.00008 -0.00007 -0.00008 0.00000 0.00002 0.00000 -0.00016 -0.00022 0.00002 -0.00003 -0.00001 0.00005 0.00000 -0.00001 -0.00001 -0.00011 -0.00004 -0.00013 -0.00006 -0.00011 -0.00004 -0.00019 -0.00014 -0.00016 -0.00011 -0.00019 -0.00014 2.75470 2.05832 2.05619 2.05815 2.03194 2.57605 2.61120 2.61311 3.02392 2.50939 2.50765 2.26462 3.01484 2.99811 5.82407 2.03490 2.33482 2.28960 2.32105 2.30119 1.91051 1.90411 1.90862 1.91168 1.91815 1.91069 2.26867 2.12632 1.88806 1.82617 2.34891 2.10577 2.18751 2.19969 1.89595 1.93489 1.96779 1.88089 1.97256 1.86029 1.88134 1.89670 1.12859 1.87965 2.19778 2.20573 2.01054 2.13822 2.13441 2.09531 2.05071 2.13681 1.08019 -2.07118 -3.11138 0.02043 -1.02209 2.10972 3.12698 -0.09107 0.00361 3.06874 0.01095 -3.12230 3.13611 0.00287 -0.00904 -3.08735 -1.85587 2.37920 0.28315 1.19970 -0.84841 -2.94446 3.14156 -0.00814 -0.00846 3.12503 0.01104 -3.12240 -0.79488 1.26536 -2.98424 0.98995 -2.14609 -1.12663 2.02051 3.13325 -0.00279 0.13368 -2.97992 2.32020 -0.79339 -1.95330 1.21629 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000041 0.000006 0.000319 0.000078 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.016937e-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 1 1 1 1 2 2 2 4 4 5 6 7 7 7 8 13 15 15 16 16 5 10 11 12 3 4 5 6 7 13 13 9 15 16 9 14 19 20 17 18 1.4577 1.0892 1.0881 1.0891 1.0753 1.3632 1.3818 1.3828 1.6002 1.3279 1.327 1.1984 1.5954 1.5865 3.082 1.0768 1.2356 1.2116 1.2283 1.2177 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 10 10 11 3 3 4 2 2 6 1 1 2 4 4 4 4 9 9 15 7 5 5 6 7 7 19 7 7 17 1 1 1 1 1 1 2 2 2 4 4 4 5 5 5 6 7 7 7 7 7 7 9 13 13 13 15 15 15 16 16 16 10 11 12 11 12 12 4 5 5 6 7 7 2 13 13 13 9 15 16 15 16 16 8 6 14 14 19 20 20 17 18 18 109.4642 109.0979 109.3546 109.531 109.9025 109.474 129.9828 121.8308 108.1782 104.6318 134.5814 120.6523 125.335 126.0337 108.6293 110.8609 112.7443 107.7678 113.0195 106.5884 107.7938 108.6717 64.663 107.6963 125.9218 126.3802 115.1926 122.5143 122.2924 120.0549 117.4946 122.4302 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 10 11 11 12 12 3 3 5 5 3 3 4 4 2 7 2 2 2 6 6 6 1 1 2 2 4 4 4 15 16 4 4 9 9 16 16 4 4 9 9 15 1 1 1 1 1 1 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 4 4 4 4 5 5 5 5 6 6 7 7 7 7 7 7 13 13 13 13 13 13 9 9 9 15 15 15 15 15 15 16 16 16 16 16 2 13 2 13 2 13 6 7 6 7 1 13 1 13 13 13 9 15 16 9 15 16 6 14 6 14 5 14 8 8 8 19 20 19 20 19 20 17 18 17 18 17 61.8971 -118.6756 -178.2615 1.1657 -58.5555 120.8718 179.1581 -5.2272 0.2053 175.8199 0.6217 -178.8895 179.6773 0.1661 -0.5176 -176.8879 -106.3289 136.3221 16.2284 68.7375 -48.6114 -168.7052 180.0073 -0.4543 -0.4858 179.0526 0.6329 -178.9028 -45.543 72.5005 -170.9841 56.7264 -122.9596 -64.5437 115.7703 179.5281 -0.158 7.6699 -170.7288 132.9472 -45.4514 -111.9051 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2.522742 0.000000 2.805569 1.075255 0.000000 3.632519 1.363185 2.213172 0.000000 1.457730 1.381782 2.152376 2.223259 0.000000 3.559534 2.173182 3.232598 1.382794 2.143720 0.000000 5.184488 2.735192 3.194205 1.600212 3.810369 2.594042 0.000000 4.503995 3.141896 4.175016 2.104037 3.127541 1.014694 2.788129 0.000000 5.780588 3.448210 3.916967 2.340841 4.414634 3.057390 1.198362 3.081989 0.000000 1.089212 2.845741 2.891638 4.034470 2.090337 4.128362 5.487269 5.094150 5.936160 0.000000 1.088091 3.387047 3.836440 4.289928 2.084907 3.872431 5.886105 4.692521 6.431187 1.778416 0.000000 1.089128 2.823324 2.845549 4.020041 2.088904 4.132063 5.494655 5.077455 6.254652 1.783328 1.777722 0.000000 2.483101 2.201131 3.216858 2.231562 1.327918 1.326988 3.738560 2.099966 4.224586 3.167921 2.595387 3.178155 0.000000 2.833861 3.243977 4.216262 3.271632 2.144932 2.148383 4.710411 2.577213 5.116929 3.560917 2.501649 3.576640 1.076821 0.000000 6.076634 3.827534 4.411851 2.581477 4.663279 3.021420 1.595378 2.765453 2.252319 6.592478 6.630076 6.304165 4.272405 5.071680 0.000000 5.731406 3.232433 3.160844 2.657683 4.562129 3.938676 1.586523 4.299491 2.261666 5.919003 6.611633 5.821771 4.876108 5.923328 2.585137 0.000000 5.207479 2.904022 2.477440 2.861848 4.263325 4.222323 2.444904 4.802082 3.267894 5.365225 6.179152 5.118014 4.879802 5.947790 3.459870 1.228255 0.000000 6.926018 4.424441 4.311610 3.764812 5.749616 4.963140 2.404946 5.174588 2.657877 7.059484 7.807367 7.025245 5.996113 7.023370 3.064456 1.217733 2.143752 0.000000 6.179074 4.231783 5.027781 2.917687 4.745519 2.762204 2.397905 2.118835 2.744759 6.768086 6.544656 6.528865 4.019150 4.608722 1.235558 3.712500 4.546844 4.217140 0.000000 6.894027 4.626276 5.036245 3.541186 5.549875 4.105229 2.468016 3.886069 3.175644 7.444056 7.497271 6.964006 5.276914 6.079391 1.211583 2.796277 3.595420 2.993302 2.143369 0.000000 1.3485533 0.5553296 0.4192556 1 -701.249235982 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111 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 63 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 60 vectors produced by pass 0 Test12= 2.19D-14 1.59D-09 XBig12= 5.89D+01 2.40D+00. AX will form 60 AO Fock derivatives at one time. 60 vectors produced by pass 1 Test12= 2.19D-14 1.59D-09 XBig12= 1.70D+01 8.82D-01. 60 vectors produced by pass 2 Test12= 2.19D-14 1.59D-09 XBig12= 2.68D-01 5.14D-02. 60 vectors produced by pass 3 Test12= 2.19D-14 1.59D-09 XBig12= 2.78D-03 6.11D-03. 60 vectors produced by pass 4 Test12= 2.19D-14 1.59D-09 XBig12= 3.56D-05 5.97D-04. 60 vectors produced by pass 5 Test12= 2.19D-14 1.59D-09 XBig12= 3.09D-07 6.24D-05. 60 vectors produced by pass 6 Test12= 2.19D-14 1.59D-09 XBig12= 2.51D-09 6.01D-06. 37 vectors produced by pass 7 Test12= 2.19D-14 1.59D-09 XBig12= 1.73D-11 4.00D-07. 3 vectors produced by pass 8 Test12= 2.19D-14 1.59D-09 XBig12= 1.15D-13 3.61D-08. 2 vectors produced by pass 9 Test12= 2.19D-14 1.59D-09 XBig12= 7.80D-16 2.68D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 462 with 63 vectors. Isotropic polarizability for W= 0.000000 115.92 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 44 45 46 47 48 49 50 51 52 53 O O O O O V V V V V -0.388763 -0.376706 -0.366203 -0.361756 -0.353121 0.006928 0.012784 0.020394 0.026171 0.042688 2.164100 2.408500 2.557656 2.399477 1.615667 2.362911 2.474692 1.491429 0.160699 0.158528 6.989614558068D+02 PT12799.800S Tue Jun 6 16:43:42 2023 -14.63232 -14.55910 -14.54035 -10.41690 -10.36560 -10.35296 -10.34613 -6.87138 -1.32705 -1.31492 -1.20766 -1.14989 -1.13897 -1.07808 -0.91888 -0.88406 -0.82182 -0.76429 -0.75361 -0.74431 -0.71021 -0.65227 -0.63105 -0.62328 -0.61535 -0.61355 -0.60372 -0.59284 -0.58959 -0.58505 -0.55478 -0.55006 -0.54086 -0.51761 -0.44932 -0.43031 -0.39634 -0.39122 -0.38876 -0.37671 -0.36620 -0.36176 -0.35312 0.00693 0.01278 0.02039 0.02617 0.04269 0.05468 0.05961 0.07450 0.07564 0.07939 0.08396 0.09172 0.09999 0.10242 0.11073 0.11929 0.13312 0.13952 0.14619 0.15032 0.15301 0.15956 0.16484 0.17539 0.17772 0.18655 0.19267 0.19587 0.20002 0.20254 0.20938 0.22079 0.22340 0.22614 0.23205 0.24011 0.24424 0.24488 0.25195 0.25561 0.26410 0.26896 0.27882 0.28181 0.28668 0.29341 0.29958 0.30737 0.31757 0.31982 0.32375 0.32934 0.33842 0.34297 0.34358 0.34396 0.35173 0.35831 0.36633 0.37412 0.38100 0.38403 0.39707 0.39961 0.41202 0.41520 0.41753 0.42477 0.43071 0.44017 0.44848 0.45787 0.46450 0.47457 0.48281 0.49107 0.49612 0.50343 0.51057 0.52046 0.53547 0.54560 0.55197 0.57611 0.58027 0.59482 0.60873 0.62986 0.63951 0.64328 0.67181 0.67907 0.68570 0.69206 0.70000 0.71173 0.72218 0.73405 0.73896 0.74829 0.79826 0.80813 0.81267 0.82645 0.84752 0.86654 0.89037 0.91444 0.92335 0.96754 0.97433 0.98869 0.99946 1.01064 1.01954 1.02412 1.03306 1.06360 1.06567 1.06947 1.08890 1.10545 1.13648 1.15672 1.16765 1.17807 1.19897 1.20154 1.20758 1.21740 1.23124 1.24914 1.25783 1.27266 1.28368 1.28751 1.29467 1.30908 1.32588 1.34621 1.35529 1.36598 1.36864 1.38361 1.39914 1.45108 1.46329 1.48281 1.48705 1.49756 1.53392 1.60450 1.61568 1.63788 1.67732 1.68917 1.69708 1.71383 1.73004 1.75361 1.76664 1.77748 1.79839 1.81567 1.82348 1.84960 1.86649 1.87167 1.88327 1.89120 1.91360 1.93057 1.95257 1.97804 1.98294 2.00662 2.07162 2.10873 2.13504 2.17222 2.19873 2.21035 2.22753 2.24251 2.27014 2.27986 2.31409 2.36117 2.38063 2.41616 2.42665 2.46803 2.47170 2.49188 2.51286 2.53415 2.56968 2.57443 2.58051 2.60697 2.62664 2.67021 2.70920 2.72235 2.75655 2.78072 2.83544 2.86144 2.87448 2.88115 2.88493 2.89281 2.91077 2.91576 2.92085 2.93112 2.95486 2.96611 2.97007 2.97352 3.01226 3.02520 3.04867 3.06113 3.06210 3.08828 3.09711 3.21488 3.22875 3.24240 3.33776 3.36004 3.40482 3.47967 3.49349 3.51897 3.56067 3.58570 3.64479 3.67766 3.71294 3.73130 3.76401 3.80319 3.82550 3.85760 3.88442 3.89219 3.95454 3.97809 3.98522 4.00364 4.01459 4.11874 4.46728 4.57967 4.63058 4.65770 4.81798 4.95530 5.03218 5.12056 5.13946 5.15607 5.18334 5.19552 5.22212 5.30175 5.31131 5.36873 5.71111 5.73645 6.36267 6.38005 14.76678 23.84900 24.02072 24.03520 24.26478 35.53434 35.55765 35.59540 35.76019 50.03202 50.04561 50.13649 50.15690 44 45 46 47 48 49 50 51 52 53 O|O|O|O|O|V|V|V|V|V -0.38876 -0.37671 -0.36620 -0.36176 -0.35312 0.00693 0.01278 0.02039 0.02617 0.04269 -0.00020 0.00071 0.00036 0.00008 -0.00007 -0.00063 -0.00058 0.00111 -0.02004 -0.01630 -0.00032 0.00116 0.00059 0.00014 -0.00012 -0.00104 -0.00100 0.00177 -0.03231 -0.02655 -0.00314 0.00469 0.00266 -0.00064 0.00050 -0.00342 -0.00040 -0.00378 0.02530 -0.00513 0.00144 0.00093 -0.00016 0.00273 0.00676 -0.00226 -0.00104 -0.01084 -0.00042 0.01237 -0.00033 -0.00016 -0.00017 0.00303 0.00450 0.00065 0.00032 -0.00630 -0.00452 -0.01437 0.00097 -0.00356 -0.00172 -0.00041 0.00044 0.00261 0.00474 -0.00478 0.08460 0.07423 -0.00497 0.00723 0.00429 -0.00026 0.00086 -0.00561 -0.00090 -0.00861 0.04541 -0.00551 0.00209 0.00170 -0.00040 0.00367 0.00948 -0.00131 -0.00053 -0.03040 0.00051 0.02118 -0.00015 -0.00072 -0.00059 0.00404 0.00619 0.00318 0.00130 -0.01963 -0.01043 -0.02509 0.00144 -0.00986 -0.00731 -0.00954 -0.00248 0.02095 -0.01070 -0.02751 0.56102 0.45870 -0.00278 0.00986 0.00673 -0.00007 -0.00139 -0.01723 0.00518 0.00390 -0.05714 -0.16527 0.00697 -0.00289 0.00505 0.00574 -0.00303 -0.01936 -0.00895 0.02401 -0.03320 -0.00261 0.00203 -0.00587 0.00242 0.00260 -0.00523 -0.00793 -0.00584 0.01934 0.05814 0.03786 -0.08734 -0.06653 0.03205 -0.01951 -0.03788 -0.15226 0.14659 -0.36589 5.84203 5.62335 0.03516 0.03621 -0.01682 -0.00201 0.00860 0.06546 -0.04039 0.00865 -0.11210 -0.41583 0.00117 -0.01664 0.01339 0.01136 -0.01505 -0.07874 -0.01777 -0.08029 -0.15056 0.10257 -0.00632 0.00639 0.00103 -0.01083 -0.01044 -0.03346 -0.02506 -0.04599 0.27271 0.00120 0.00155 -0.00128 0.00026 -0.00150 -0.00545 0.00195 0.00099 -0.01292 -0.00109 -0.00142 -0.00050 0.00080 0.00023 0.00053 0.00137 -0.00288 -0.00169 0.01134 -0.00275 0.00077 0.00024 -0.00040 -0.00000 -0.00084 -0.00200 0.00065 0.00081 -0.00577 -0.00285 -0.00037 0.00018 -0.00063 0.00005 -0.00067 -0.00242 -0.00163 0.00016 -0.00268 0.00297 0.00181 0.00043 0.00004 -0.00029 0.00118 0.00340 -0.00258 -0.00251 0.01795 0.00235 -0.00029 -0.00511 0.00095 -0.00204 -0.00257 -0.00032 -0.00360 0.00193 0.00085 -0.00797 -0.00111 -0.00824 0.00155 -0.00319 -0.00431 -0.00047 -0.00601 0.00320 0.00141 -0.01347 -0.00156 -0.01837 0.01283 -0.00289 0.00226 0.01490 -0.00273 -0.00168 0.00908 0.00356 -0.00261 -0.05109 0.04303 -0.00708 0.02243 0.10650 0.00708 -0.00172 0.05048 0.00481 0.01196 -0.03954 0.01642 -0.01986 0.00051 0.08325 0.01787 0.00580 0.04330 -0.00223 -0.01100 0.02334 -0.00560 0.01035 0.01330 0.00015 0.01860 -0.00894 -0.00518 0.05504 -0.00152 -0.02902 0.01851 -0.00354 0.00166 0.02443 -0.00449 -0.00208 0.01354 0.00415 -0.01402 -0.08344 0.06866 -0.01293 0.03277 0.17273 0.01103 -0.00150 0.07369 0.00474 0.01559 -0.06397 0.02956 -0.03219 0.00427 0.13424 0.02743 0.00672 0.06246 0.00032 -0.01113 0.06891 0.00551 0.01667 0.03161 0.02364 0.06147 -0.06089 -0.00180 0.00831 0.00184 -0.01427 0.02252 0.02181 0.02290 0.01512 0.00998 -0.01219 0.01652 -0.00158 0.04292 -0.07878 0.06322 -0.01301 0.02905 0.15269 0.02115 -0.00283 0.17171 0.02591 0.12207 -0.04660 0.01443 -0.01848 0.01319 0.13404 0.05657 0.00866 0.14956 -0.02016 -0.15726 -0.01682 -0.63217 0.19824 0.46739 -0.01534 -0.81505 1.66066 -0.14422 -0.01998 -2.39668 0.12439 0.22217 -0.05362 -0.04532 0.04764 0.42916 -0.39371 0.00780 0.35321 0.22360 -0.04020 0.07603 -0.01395 -0.05144 -0.00145 -0.01964 -0.14880 0.04132 0.15696 1.12915 0.01557 -0.14011 0.04972 0.11126 0.01229 -0.00801 0.48218 0.13291 -0.25154 -1.66486 -0.00342 0.00249 -0.00349 0.00230 0.01116 0.00117 -0.00180 -0.00135 -0.00114 0.00244 -0.00032 -0.00148 -0.00051 -0.00514 -0.00423 0.00522 0.00427 -0.01271 -0.00029 0.00110 -0.00364 0.00301 0.00156 -0.00075 0.00445 -0.00348 -0.00154 0.00095 0.00091 -0.00420 -0.00478 0.00323 -0.00016 -0.00148 0.00387 -0.00361 0.00080 -0.00744 0.00143 -0.00192 0.00515 -0.00264 0.00054 -0.00002 -0.00865 0.00770 0.00338 -0.01627 -0.00223 -0.00182 0.00655 0.00433 0.00622 0.01107 -0.00183 0.00124 0.00038 -0.00136 0.00237 0.01016 0.00699 0.00022 0.00790 0.01331 -0.00185 0.00308 0.00594 -0.00291 0.01788 0.01661 0.00534 -0.01249 -0.00742 0.01344 0.00807 0.04130 0.04653 0.03301 -0.12581 -0.32775 0.02643 -0.06123 0.01606 0.04501 0.00727 0.16213 0.33798 0.14500 -0.33038 -1.80871 0.00060 0.00295 0.00281 0.00337 0.00088 -0.00070 -0.00214 0.00055 -0.00049 -0.00173 -0.00519 0.00192 -0.00219 0.00034 0.00909 0.00222 0.00248 0.00849 -0.00316 -0.00038 -0.00229 0.00317 0.00145 0.00284 0.00626 0.00033 -0.00080 0.00452 0.00493 0.00124 0.00409 -0.00689 -0.01108 0.00036 0.00082 0.01041 -0.00416 0.00172 -0.00034 0.00142 0.00660 -0.01118 -0.01785 0.00040 0.00128 0.01710 -0.00686 0.00286 -0.00072 0.00232 0.01486 -0.02424 -0.03963 0.00620 0.01813 0.02636 -0.01065 0.00868 -0.00026 -0.00250 -0.05056 0.03829 -0.00935 0.01362 0.09833 -0.03327 -0.01292 0.01716 0.00102 -0.00151 -0.04204 0.03048 -0.01347 0.01008 0.07487 -0.02281 -0.00873 0.01556 0.00626 0.00504 -0.01789 0.03173 0.04811 0.00433 -0.00269 -0.05128 0.02062 -0.00956 0.00593 -0.00417 0.01918 -0.03639 -0.05390 0.00148 0.02913 0.04131 -0.01882 0.01356 0.00712 -0.00226 -0.08001 0.06191 -0.01672 0.02247 0.15934 -0.04779 -0.02360 0.02243 0.00406 -0.00326 -0.06743 0.04789 -0.02241 0.01588 0.12085 -0.03659 -0.01638 0.02053 0.00413 0.00885 -0.02265 0.06596 0.11932 -0.04240 -0.01857 -0.12159 0.02805 -0.01796 0.05084 0.01419 0.00333 0.01323 -0.06068 0.03536 0.00531 0.04121 0.03168 0.01196 -0.08951 0.05540 -0.09200 0.04451 -0.01715 0.01386 0.15092 -0.12615 -0.02042 0.04056 0.00082 0.03413 -0.02424 0.06225 -0.01938 0.02367 0.12443 -0.03014 -0.01830 0.06227 0.04118 -0.05677 0.16993 0.71314 -0.18396 -0.38476 0.10494 0.65729 -1.07581 -0.25360 3.79698 -0.72739 -0.13251 0.26534 -0.07694 -0.24488 -0.11782 0.21553 -0.45546 0.04727 1.97066 -1.45199 0.06655 0.04118 -0.02985 -0.05336 0.04853 0.05897 -0.72688 -0.00631 -0.82555 1.26068 -0.07305 -0.12386 0.05845 0.09275 -0.02424 -0.50063 0.50475 -0.10194 0.75373 -1.25847 0.00579 -0.00295 0.00136 -0.00399 -0.00903 0.00033 0.00444 -0.02249 -0.00047 -0.00181 -0.00271 0.00355 -0.00515 0.00727 0.01063 0.00108 -0.00071 -0.00199 -0.00305 0.00189 0.00196 -0.00074 0.00154 -0.00090 -0.00522 0.00254 0.00170 -0.00646 -0.00328 0.00031 0.00396 -0.00315 -0.00022 0.00108 0.00061 0.00326 0.00324 -0.01233 0.00032 0.00060 -0.00220 0.00143 0.00294 -0.00005 0.01730 0.00382 0.00473 0.00174 0.00151 -0.00178 0.00178 -0.00092 -0.00038 0.00206 -0.00012 0.00201 -0.00107 0.00056 -0.00002 0.00193 0.00288 -0.00154 -0.00067 0.00329 -0.00019 0.00331 -0.00174 0.00094 0.00002 0.00330 0.00914 -0.00532 -0.00015 0.00353 -0.00539 0.00814 0.00007 -0.01835 -0.00820 -0.01182 -0.00100 -0.00754 -0.00136 -0.01477 -0.03759 0.01587 0.01528 -0.11692 -0.00684 -0.00931 0.00722 -0.00336 0.00391 -0.00866 -0.02724 0.01880 0.01022 -0.08967 -0.00378 0.00751 -0.00861 0.00580 0.00353 -0.00906 0.00043 -0.01089 0.00495 -0.00365 0.00115 -0.01387 0.01347 -0.00913 -0.00104 0.00425 -0.00869 0.01218 -0.00010 -0.02754 -0.01086 -0.01260 -0.00049 -0.01176 -0.00141 -0.02225 -0.05931 0.02479 0.02324 -0.17721 -0.00997 -0.01541 0.01105 -0.00542 0.00624 -0.01341 -0.04290 0.02767 0.01578 -0.13604 -0.00632 0.01131 -0.02097 -0.00012 -0.01336 -0.03178 0.00365 -0.02235 0.02751 0.00030 0.00109 0.02581 0.01655 0.00252 0.01007 0.01652 -0.00604 0.01702 0.00009 -0.04603 -0.08150 -0.12663 -0.00647 -0.00857 -0.00504 -0.02369 -0.05488 0.02924 0.03740 -0.27987 -0.02432 -0.04262 0.00941 -0.00752 0.00290 -0.01865 -0.03933 0.05664 0.02332 -0.21302 0.01284 0.06880 -0.08063 0.04476 -0.01443 -0.05336 -0.02723 -0.00853 -0.04081 0.07226 -0.65968 -1.41119 0.02552 -0.00425 0.00056 0.01787 0.01532 -0.00711 0.08251 -0.00375 -1.06663 -0.57893 0.00495 -0.00831 -0.00595 -0.00661 0.00597 0.02031 0.09187 -0.29483 -0.30057 -0.41889 -0.01277 0.02675 -0.01967 -0.01732 -0.01132 0.11524 -0.04236 -0.27616 0.57476 0.64774 0.00648 -0.00390 0.00245 -0.00165 -0.01399 -0.00719 -0.00347 0.01401 0.00007 0.00172 0.00390 -0.00191 0.00110 -0.00051 -0.00798 -0.00167 -0.00159 -0.00262 0.00164 -0.00504 0.00149 -0.00159 0.00020 -0.00116 -0.00335 -0.00107 -0.00052 0.00550 -0.00278 -0.00273 0.00520 -0.00471 0.00040 -0.00186 -0.01046 -0.00228 -0.00159 0.00670 0.00317 0.00114 0.00304 -0.00233 0.00115 -0.00108 -0.00655 -0.00125 0.00075 -0.00694 -0.00285 0.00309 -0.00192 -0.00009 0.00312 0.00015 -0.00094 -0.00217 0.00379 0.00030 -0.00279 0.00688 -0.00319 -0.00021 0.00503 0.00023 -0.00153 -0.00361 0.00624 0.00046 -0.00443 0.01131 -0.00086 0.00015 0.01372 0.00156 -0.00308 0.00318 0.00802 -0.01495 -0.01161 0.00347 0.02796 -0.01681 -0.00217 0.01459 -0.00799 0.02728 0.01832 -0.09748 -0.01163 0.00743 0.02663 -0.00674 0.01280 -0.00538 -0.00260 0.03277 0.01546 -0.07544 0.00255 -0.01915 0.01106 0.00218 -0.01417 0.00012 0.00474 0.01219 -0.02025 -0.00030 0.01095 -0.03658 -0.00209 -0.00020 0.02031 0.00291 -0.00528 0.00370 0.01265 -0.02284 -0.01740 0.00855 0.04548 -0.02570 -0.00275 0.02248 -0.01230 0.04014 0.02740 -0.14842 -0.01677 0.01110 0.04013 -0.01092 0.01977 -0.00772 -0.00464 0.04808 0.02338 -0.11516 0.00317 -0.03111 -0.00056 -0.01954 -0.03574 -0.01716 0.01123 0.00567 -0.04390 -0.01475 0.10249 -0.07729 0.02236 -0.00574 0.01160 -0.01156 0.00786 0.03287 0.00121 -0.02640 -0.02272 0.01554 0.03396 -0.03744 -0.00489 0.02154 -0.00573 0.06815 0.03815 -0.22468 -0.02546 0.03033 0.04214 0.00536 0.02270 -0.00640 -0.00847 0.07938 0.04201 -0.17132 -0.00110 -0.05347 0.13514 -0.02376 -0.04134 -0.05390 0.03359 0.19208 -0.28936 0.12983 -0.84411 0.41124 -0.00463 -0.02298 0.00018 0.00286 0.03434 -0.13479 0.19605 -0.09903 -0.20737 0.13037 -0.01184 -0.02973 0.01273 0.01795 0.01563 0.06561 0.14840 -0.25800 -0.25714 0.09974 0.01461 0.04758 -0.01697 -0.01661 -0.01667 0.14869 -0.04618 -0.20268 0.31794 -0.20110 0.00409 -0.00336 -0.00090 -0.00112 -0.00614 0.00509 0.00076 -0.00275 -0.00196 0.00131 0.00564 -0.00332 0.00221 -0.00153 -0.01008 -0.00172 -0.00132 0.01091 0.00228 -0.00305 -0.00085 0.00130 0.00150 -0.00040 -0.00083 0.00097 0.00061 -0.00293 -0.00130 -0.00148 0.00190 -0.00153 0.00341 -0.00089 -0.00820 -0.00087 0.00136 0.00195 0.00241 -0.00032 0.00717 -0.00506 0.00066 -0.00067 -0.01186 -0.00281 -0.00272 0.01506 -0.00131 0.00271 -0.01475 0.00945 0.00702 -0.00749 0.00196 0.00015 -0.00267 0.00061 -0.00160 -0.00018 -0.02430 0.01535 0.01143 -0.01265 0.00241 0.00073 -0.00401 0.00135 -0.00295 -0.00002 -0.04279 0.03545 0.02848 -0.01196 -0.00517 -0.00068 -0.01307 0.00244 -0.00209 0.00423 -0.04226 0.02983 -0.03411 0.02646 -0.06316 -0.00764 -0.02872 0.00001 -0.00022 -0.00038 -0.01049 -0.01074 0.00347 -0.08619 -0.02168 -0.00257 0.00240 0.00017 0.00451 -0.00298 0.07111 -0.04282 -0.03283 0.04097 -0.00086 -0.01295 -0.00073 -0.00537 0.02068 -0.00672 -0.07755 0.06442 0.05203 -0.02442 -0.01567 0.00494 -0.02236 0.00595 -0.01104 0.01029 -0.07545 0.05894 -0.05880 0.05282 -0.10588 -0.01761 -0.05858 -0.00360 0.00138 -0.00499 -0.02046 -0.00845 0.01020 -0.15258 -0.02688 -0.01726 -0.00551 -0.00578 0.00528 -0.00635 0.20229 -0.14804 -0.11883 0.18642 -0.00012 0.05572 0.21854 -0.03033 -0.27678 0.16520 -0.06822 0.06435 -0.02153 -0.00394 -0.04263 0.03135 -0.02556 0.00567 -0.05012 0.07628 -0.06273 0.02957 -0.02732 0.03368 -0.11342 -0.02463 -0.17622 0.05239 0.02011 -0.03568 -0.06831 -0.05613 0.05162 -0.13731 -0.06407 -0.04174 0.01359 -0.00845 0.05066 0.04995 -0.11151 0.20549 -0.04158 -0.08518 -0.04897 1.20202 -0.24049 0.64822 0.00262 0.13541 -0.01493 0.02547 -0.03050 -0.01548 -0.00526 -0.02779 -0.05504 0.03048 -0.05591 0.06371 0.00074 0.03382 -0.00969 -0.00277 0.00237 0.23676 0.31355 0.24970 0.08480 -0.18093 -0.00431 0.00830 -0.00317 -0.01670 0.00113 0.62835 0.16597 0.27208 -0.13407 0.37409 -0.00351 0.00236 -0.01212 0.01396 -0.01652 0.00812 0.02327 -0.00240 0.00214 -0.00085 -0.00384 0.00243 -0.00769 0.02491 0.00753 0.00945 0.01006 0.00540 0.00293 0.00073 0.00123 0.00292 0.00392 -0.02076 -0.00919 0.02742 0.02309 0.00727 -0.00123 -0.00038 -0.01498 0.01126 0.00773 0.00080 -0.00509 -0.02760 0.02857 -0.00243 -0.00053 -0.00061 0.00435 -0.00848 -0.00246 -0.00683 0.02538 -0.02066 0.00092 0.00281 -0.00197 -0.00134 0.00323 -0.00161 -0.00219 -0.00209 0.00175 -0.00097 -0.00062 0.00527 -0.00307 0.00687 0.01051 -0.01064 -0.00694 0.00078 0.00609 -0.00073 -0.00723 0.00929 -0.00632 0.03535 -0.04132 -0.04924 0.01745 0.03099 0.01276 -0.07796 0.10492 -0.02507 -0.18677 0.21025 0.02959 -0.01761 0.00452 0.00050 0.01946 -0.10995 0.03668 -0.03994 -0.50438 0.70126 0.00158 0.00134 0.00078 -0.00325 0.00138 0.00327 -0.00110 -0.00069 -0.00171 0.00014 0.00283 -0.00123 0.00060 -0.00020 -0.00055 0.00891 0.00115 -0.01052 0.00168 -0.00427 0.00071 -0.00095 0.00107 0.00118 -0.00171 0.00446 0.00356 -0.01039 -0.00370 0.00543 -0.00249 -0.01024 -0.02917 -0.04654 -0.06088 0.03973 0.02123 0.00552 0.00310 -0.00173 -0.00469 -0.01493 -0.04618 -0.07128 -0.09097 0.08001 0.04382 0.01567 0.00362 -0.00439 0.02525 0.04337 -0.06518 -0.05976 -0.04728 0.22753 0.12448 0.03545 0.06468 -0.05764 0.02481 -0.08971 0.00930 0.02057 -0.02073 -0.89364 -0.15454 -0.53387 0.08707 -0.26921 -0.00158 0.00009 -0.00088 -0.00146 -0.00168 0.00035 -0.00259 0.00016 0.00023 -0.00012 -0.00067 0.00340 0.00146 0.00169 0.00088 -0.00045 -0.00149 -0.00035 -0.00108 0.00021 -0.00008 0.00068 0.00234 0.00001 0.00278 0.00170 0.00085 -0.00060 -0.00106 0.00031 0.00033 0.00191 -0.00029 0.00395 0.01141 -0.00285 -0.00340 0.02140 0.00034 0.00197 -0.00205 0.00652 -0.00098 0.00772 0.02587 -0.00536 -0.00225 0.04877 -0.00355 0.00691 -0.00416 0.00711 -0.00962 0.00248 0.02486 0.03458 -0.03037 0.07883 -0.21892 -0.27033 -0.00239 0.01175 -0.01639 -0.01199 0.02278 0.05816 -0.02179 0.57245 -1.32334 -1.75271 0.00006 -0.00004 0.00018 -0.00020 -0.00072 -0.00137 -0.00068 0.00269 0.00175 -0.00178 -0.00012 -0.00014 0.00007 -0.00016 -0.00059 0.00042 -0.00027 0.00361 -0.00710 -0.00775 -0.00018 0.00016 -0.00011 0.00018 0.00069 0.00041 0.00006 -0.00110 -0.00217 -0.00095 -0.00329 0.00206 0.00129 -0.00039 -0.00095 -0.00209 0.00048 -0.00104 0.00195 -0.00288 -0.00533 0.00451 0.00177 -0.00044 -0.00126 -0.00377 0.00211 -0.00218 0.00253 0.00536 -0.00469 -0.00310 0.00257 0.00514 -0.00063 -0.00843 -0.01593 0.01227 -0.34776 -0.16274 -0.01316 -0.02744 0.01856 0.01884 -0.00418 -0.05730 0.01457 0.04072 -1.70097 -0.92753 0.00018 0.00006 0.00004 -0.00004 0.00011 -0.00067 -0.00033 0.00017 -0.00468 -0.00055 -0.00011 0.00024 0.00000 0.00009 0.00047 -0.00089 -0.00026 0.00105 0.00621 0.00071 0.00018 -0.00008 -0.00025 0.00022 0.00047 -0.00024 -0.00059 0.00142 -0.00643 -0.00030 0.00156 -0.00203 0.00006 -0.00452 -0.01050 0.00461 0.00233 -0.02049 -0.00271 0.00074 0.00487 -0.00492 0.00261 -0.00796 -0.02492 0.00540 0.00433 -0.04827 -0.00930 0.00594 0.00514 -0.00246 -0.00239 -0.00533 -0.02448 0.01035 -0.01494 -0.03086 -0.22884 -0.28484 -0.00125 0.00528 0.00329 -0.00662 -0.01578 -0.04243 -0.03019 -0.34911 -1.20376 -1.68529 -0.00061 0.00036 0.00007 -0.00003 0.00068 0.00077 0.00067 -0.00254 0.00321 -0.00016 -0.00005 0.00011 -0.00008 0.00005 0.00045 -0.00006 0.00012 -0.00048 0.00307 0.00301 0.00009 -0.00020 0.00009 -0.00029 -0.00078 -0.00024 0.00008 0.00300 0.00594 0.00745 0.00126 -0.00126 -0.00242 -0.00112 0.00064 0.00242 -0.00077 0.00075 -0.01271 0.00746 0.00207 -0.00209 -0.00390 -0.00186 0.00104 0.00407 -0.00131 0.00126 -0.02088 0.01178 0.01425 -0.00880 -0.00715 -0.00217 -0.01381 -0.00104 -0.00907 0.02273 0.02319 -0.02300 0.04925 -0.03087 0.01538 -0.01024 -0.09201 -0.04156 -0.02536 0.13490 -0.00535 0.02276 0.03391 -0.02690 0.00914 -0.01058 -0.07158 -0.03158 -0.01603 0.10339 0.02202 -0.01755 -0.00714 0.00831 0.01299 0.00597 -0.00313 -0.01537 0.00561 -0.00513 0.06508 -0.02403 0.02265 -0.01593 -0.01124 -0.00481 -0.02161 -0.00116 -0.01624 0.03550 0.03323 -0.02781 0.08091 -0.04970 0.02474 -0.01650 -0.15133 -0.06553 -0.03906 0.21374 -0.00723 0.02996 0.05588 -0.04451 0.01489 -0.01770 -0.11760 -0.05004 -0.02455 0.16384 0.03155 -0.02068 -0.02402 0.01930 0.02690 0.03488 -0.02107 -0.04623 0.01802 -0.01079 0.21648 -0.40246 0.02828 -0.01957 -0.01639 -0.01290 -0.01678 0.00342 -0.02136 0.07698 0.10500 -0.03479 0.07787 -0.04717 0.02715 -0.01137 -0.14906 -0.13603 -0.08506 0.41035 -0.02733 0.01406 0.04475 -0.04196 0.01605 -0.01605 -0.11323 -0.08164 -0.04370 0.31872 0.08529 0.00564 0.04263 -0.13173 0.05195 0.10819 0.03837 -0.10012 -0.29729 0.00481 -0.96780 -0.95265 0.01035 0.04552 -0.01660 -0.03401 -0.01138 0.07501 0.07278 0.04475 2.16139 -2.97571 0.02792 -0.02933 0.00212 0.01361 -0.00405 -0.13411 -0.14382 0.46172 -1.51820 1.87258 -0.02390 0.01291 0.00799 -0.00874 -0.02169 0.00243 0.04526 0.31272 1.52599 -1.71570 0.00030 0.00122 0.00082 0.00126 0.00588 -0.00017 0.00013 0.01231 0.00190 0.00027 -0.00383 0.00033 -0.00309 -0.00022 0.00033 -0.00408 -0.00184 0.01038 -0.00306 0.01044 0.00066 0.00018 -0.00005 0.00119 0.00156 0.00040 -0.00008 0.00297 -0.00331 -0.00181 -0.00130 0.00047 -0.00080 0.00194 0.00295 -0.00067 -0.00258 0.01145 0.00127 -0.00168 -0.00339 0.00260 0.00140 -0.00225 -0.00052 -0.00440 -0.00254 0.00900 0.00305 -0.00658 -0.00046 -0.00319 -0.00676 0.00043 0.00019 0.00081 -0.00070 -0.00049 0.00570 0.00521 0.00163 -0.00332 -0.01127 -0.00003 0.00015 -0.00117 -0.00274 -0.00280 0.02142 -0.03369 -0.00148 -0.00785 -0.00066 0.00632 -0.00297 -0.01424 -0.01711 0.00838 -0.50309 0.67291 0.00964 -0.00977 -0.01205 0.00348 0.00622 -0.07062 -0.06324 0.07911 -3.37887 5.25737 0.00040 -0.00068 0.00004 0.00004 -0.00127 -0.00033 -0.00112 0.00415 -0.00863 0.00705 0.00402 -0.00245 0.00100 -0.00103 -0.00773 -0.00553 -0.00379 0.02074 0.00634 -0.00667 0.00286 -0.00226 0.00083 -0.00089 -0.00601 -0.00445 -0.00217 0.01646 -0.00357 0.00874 -0.00547 0.00461 0.00005 0.00362 -0.01254 0.00430 0.01341 0.00032 0.00119 -0.00111 -0.00895 0.00746 0.00013 0.00583 -0.02052 0.00723 0.02196 0.00072 0.00204 -0.00195 0.01863 -0.01204 0.00202 -0.01223 0.02866 0.14730 -0.04832 0.02793 0.00457 0.00231 0.05124 -0.03514 0.00169 -0.02306 0.06499 -0.10292 -0.01692 -0.01608 -0.00242 -0.00557 -0.00726 0.01533 -0.00494 0.00608 -0.01448 -0.12966 0.03589 -0.02414 -0.00624 0.00222 0.02229 -0.01864 -0.00195 -0.01362 0.06001 -0.02719 -0.06617 -0.00634 -0.00804 0.00865 0.02857 -0.01600 0.00215 -0.02000 0.04368 0.22928 -0.07209 0.04077 0.00531 0.00574 0.08075 -0.05318 0.00300 -0.03481 0.09920 -0.16017 -0.02271 -0.02749 -0.00325 -0.00986 -0.01274 0.02465 -0.00795 0.00778 -0.02393 -0.20042 0.05611 -0.03728 -0.01132 0.00609 0.08828 -0.05346 0.00886 -0.06030 0.12193 -0.01435 -0.19791 0.02017 -0.00150 0.00152 -0.00614 -0.03048 0.01195 0.01396 0.02852 0.27935 -0.09799 0.07368 0.02284 -0.02030 -0.00311 0.00431 -0.00947 -0.01241 0.02708 -0.18921 -0.02661 -0.01674 0.01184 -0.02372 0.00955 -0.02282 0.00145 0.03146 0.01172 -0.24667 0.06141 -0.04119 -0.01403 -0.00815 -0.03089 0.06244 -0.03289 -0.11578 -0.01525 -0.33330 -0.18816 0.05701 0.29226 -0.25377 -0.10699 0.00527 -0.00713 -0.00239 -0.02555 0.01303 -0.27203 -0.05533 0.02672 -0.01289 -0.09965 0.08647 0.00957 0.02497 -0.08743 -0.07142 -0.08348 -0.02990 0.00067 0.06161 -0.01637 -0.03554 -0.02622 0.01988 0.07334 -0.27370 -0.04399 -0.08324 0.05798 -0.28698 -0.02866 0.01455 0.00252 0.00293 -0.01300 0.00103 -0.00043 0.00116 -0.00047 0.00046 -0.01896 0.01352 -0.00382 0.00794 -0.01690 -0.00489 0.00303 -0.00184 0.00092 -0.00123 -0.00548 -0.01604 0.00521 0.00545 0.00206 -0.00878 -0.00223 -0.00219 -0.00010 -0.00050 -0.00865 0.00801 -0.00123 0.00951 -0.00820 0.01199 -0.00451 0.00233 -0.00021 -0.00002 0.00521 -0.01949 0.00779 0.00452 0.01093 0.00702 0.00036 0.00157 0.00086 0.00001 -0.00028 0.00095 0.00356 -0.01363 -0.00065 0.00073 -0.00048 0.00067 -0.00008 0.00004 -0.00062 0.00164 0.00575 -0.02224 -0.00121 0.00124 -0.00079 0.00112 -0.00028 0.00032 0.00703 0.00297 -0.00230 0.04311 -0.00380 -0.00902 -0.06712 -0.01470 -0.00197 0.00038 0.00020 0.00790 0.01207 -0.04631 -0.00259 -0.01765 -0.19502 -0.03904 -0.00654 -0.00083 0.00503 0.00066 -0.03044 0.07324 -0.00122 -0.01098 -0.07450 -0.01575 0.00034 0.00357 0.00388 -0.00683 -0.01374 0.06174 0.00773 -0.00436 0.00331 -0.00419 0.00465 -0.00668 0.01242 0.00550 0.00045 0.06656 -0.00585 -0.01382 -0.10401 -0.02270 -0.00264 -0.00037 -0.00135 0.01265 0.01805 -0.07084 -0.00608 -0.02940 -0.30082 -0.06137 -0.00854 -0.00144 0.00995 -0.00038 -0.04903 0.11061 -0.00122 -0.01690 -0.11689 -0.02493 0.00150 0.00533 -0.00926 -0.00907 -0.04880 0.14704 -0.01790 -0.00599 -0.01050 -0.00293 -0.03328 0.05247 -0.01346 -0.01313 -0.06443 -0.00431 0.00894 -0.02209 -0.13293 -0.02047 -0.00289 -0.00324 0.02187 0.00891 0.00538 -0.01268 0.00181 -0.02259 -0.37254 -0.07487 -0.02470 -0.00025 -0.00758 0.01223 0.04369 0.02630 0.00506 -0.02572 -0.13288 -0.03163 0.00369 0.01910 -0.02680 0.11917 0.01171 -0.06328 0.02011 0.16656 0.03045 -0.05777 1.00251 -0.48458 -0.06157 0.02098 -0.00284 -0.07655 -0.01200 0.12631 0.03598 0.08145 0.39058 -0.40334 0.03745 -0.04094 -0.02200 0.08136 0.00259 -0.03127 -0.10908 -0.08404 -0.06539 0.07008 -0.03203 -0.00234 0.07856 -0.09955 0.02888 -0.18098 -0.17358 -0.06462 0.04621 -0.13435 0.01413 0.01423 0.01959 0.01565 -0.00361 -0.00185 -0.00821 -0.00154 -0.00012 -0.00046 0.00141 -0.00748 -0.03082 0.03093 -0.00627 -0.00050 -0.00810 -0.00120 -0.00056 0.00042 0.00765 0.01795 -0.00384 -0.01413 0.00202 -0.00023 -0.01045 0.00025 -0.00012 -0.00043 -0.01729 -0.01446 -0.00249 -0.02288 0.00103 -0.00224 -0.01175 -0.00096 -0.00030 0.00032 -0.02211 -0.02159 0.01838 0.00244 -0.00491 -0.00140 -0.00604 -0.00106 0.00011 -0.00073 0.00051 -0.00088 -0.00401 0.00208 -0.00186 0.00016 0.00068 -0.00109 -0.00164 -0.00156 0.00086 -0.00144 -0.00653 0.00345 -0.00307 0.00031 0.00115 -0.00183 -0.00273 -0.00255 -0.07164 -0.07789 -0.13813 -0.13370 0.01915 0.00761 0.04810 0.01330 0.00351 0.00009 -0.07813 -0.11468 0.06874 0.09766 -0.02100 0.01573 0.13995 0.01449 0.00259 0.00184 -0.06274 -0.06105 0.01085 -0.13695 0.01081 0.00694 0.05540 0.00882 0.00119 -0.00311 -0.00348 0.00496 0.02384 -0.01359 0.00982 -0.00229 -0.00417 0.00645 0.00880 0.00741 -0.10548 -0.11482 -0.20453 -0.19588 0.02808 0.01129 0.07062 0.01939 0.00608 0.00037 -0.11569 -0.16966 0.10344 0.14309 -0.03144 0.02276 0.20466 0.01994 0.00382 0.00419 -0.09262 -0.09042 0.01266 -0.20106 0.01619 0.01020 0.08146 0.01368 0.00176 -0.00647 0.00139 0.01497 0.07093 -0.02690 0.01604 0.01073 0.00145 0.00677 0.01997 0.02353 -0.10249 -0.11487 -0.19876 -0.19016 0.02374 0.01213 0.08331 0.02451 -0.00426 -0.00354 -0.11728 -0.16686 0.09250 0.13817 -0.02908 0.02826 0.25214 0.03290 0.00491 -0.00516 -0.08731 -0.08712 0.02953 -0.19282 0.01577 0.01255 0.10118 0.01100 0.00914 0.00711 -0.01572 -0.07388 0.06111 -0.04041 0.00028 -0.25701 -0.05496 -0.06902 -0.23832 0.06456 0.00628 0.01290 -0.02700 -0.01513 -0.00008 0.05229 0.06717 -0.00499 0.06976 0.02462 -0.01598 -0.00675 0.01610 0.01142 -0.00042 0.02520 0.12105 0.03149 0.01631 0.03493 -0.02041 -0.03269 -0.00209 -0.02564 -0.00613 -0.05578 0.07231 0.00585 -0.07855 -0.00584 -0.00623 -0.00667 -0.00305 -0.00777 0.00096 -0.00059 -0.00421 -0.00083 0.00015 -0.00007 -0.00240 -0.00253 -0.00801 -0.00106 0.00041 -0.00049 -0.00106 0.00022 0.00002 0.00041 -0.00497 -0.00624 0.00528 0.00427 -0.00133 -0.00061 -0.00552 -0.00143 -0.00026 0.00002 0.00117 0.00092 0.00466 0.00335 -0.00093 -0.00031 -0.00064 -0.00038 -0.00000 0.00009 0.00299 0.00479 -0.00058 -0.00152 0.00116 0.00021 0.00311 0.00199 0.00010 -0.00013 0.00077 0.00176 0.00049 0.00306 -0.00202 0.00093 0.00105 -0.00002 -0.00014 -0.00048 0.00124 0.00290 0.00070 0.00500 -0.00336 0.00156 0.00174 -0.00004 -0.00021 -0.00080 0.02367 0.03848 -0.03211 -0.07052 0.01666 0.00664 0.04958 0.01098 0.00134 0.00061 0.12461 0.11671 -0.09484 0.05422 0.01382 0.01167 0.14530 0.02534 0.00506 0.00161 0.02399 0.08889 0.23697 -0.07857 0.02611 0.00452 0.05043 0.00916 -0.00077 -0.00102 -0.00442 -0.00980 -0.00218 -0.01953 0.01193 -0.00521 -0.00592 0.00034 0.00001 0.00301 0.03613 0.05721 -0.04549 -0.10230 0.02495 0.00916 0.07231 0.01606 0.00211 0.00062 0.18406 0.17364 -0.14180 0.07823 0.02029 0.01698 0.21344 0.03714 0.00658 0.00325 0.03678 0.13231 0.35186 -0.11329 0.03888 0.00539 0.07389 0.01280 -0.00098 -0.00107 -0.01364 -0.02241 -0.02820 -0.04531 0.01920 -0.01330 -0.01094 -0.00012 0.00919 0.00015 0.03173 0.05315 -0.05418 -0.10153 0.02422 0.01052 0.09124 0.02059 0.00854 -0.00387 0.17812 0.16572 -0.12556 0.07858 0.02151 0.02187 0.25850 0.04611 0.01214 0.00088 0.03255 0.12330 0.32195 -0.11176 0.03365 0.01304 0.09051 0.01877 -0.00314 -0.00464 -0.04906 0.01225 -0.02836 -0.05021 -0.01973 0.08760 0.09387 0.09375 0.02620 -0.13905 0.00189 0.02113 -0.00732 -0.01014 -0.00462 0.02106 0.06053 0.02060 -0.03237 0.01724 0.01845 0.02150 -0.01109 0.00103 -0.00075 0.00882 0.12693 0.02615 -0.00723 0.03047 0.01095 0.01374 0.02927 -0.00031 0.00448 0.01288 0.07504 0.00943 -0.02564 0.03752 0.00081 -0.00069 -0.00112 0.00326 -0.00090 -0.00013 -0.00018 -0.00016 -0.00013 0.00011 0.00216 0.00598 0.01350 -0.00084 0.00132 -0.00055 -0.00268 -0.00059 -0.00002 0.00006 -0.00147 -0.00236 -0.00427 -0.00047 -0.00045 0.00051 0.00015 0.00039 -0.00005 -0.00005 0.00531 0.00549 -0.00284 -0.00302 0.00141 -0.00041 -0.00449 -0.00100 0.00011 -0.00012 0.00807 0.00809 -0.00575 0.00243 0.00041 -0.00021 -0.00496 -0.00111 -0.00024 0.00016 0.00125 -0.00354 0.00066 0.00005 0.00191 -0.00082 -0.00176 0.00074 -0.00231 0.00441 0.00202 -0.00583 0.00107 0.00008 0.00311 -0.00146 -0.00292 0.00124 -0.00377 0.00731 -0.00596 -0.02324 -0.01696 0.06874 -0.02139 -0.09735 0.02485 -0.02532 -0.00051 -0.00800 -0.13209 0.01442 0.01679 0.10007 -0.06781 0.06231 0.00227 0.01323 0.00016 0.00131 -0.02591 -0.05958 0.03745 0.02660 0.02835 0.08322 -0.03341 0.01904 0.00276 -0.00212 -0.00771 0.02186 -0.00396 -0.00016 -0.01143 0.00715 0.00986 -0.00402 0.01089 -0.02313 -0.00799 -0.03500 -0.02523 0.10103 -0.03002 -0.14150 0.03623 -0.03750 -0.00067 -0.01378 -0.19360 0.01885 0.02522 0.14816 -0.09811 0.09053 0.00283 0.01856 -0.00083 0.00251 -0.03838 -0.08728 0.05526 0.03886 0.04145 0.12141 -0.04946 0.02881 0.00507 -0.00449 -0.03309 0.04717 -0.01133 -0.00620 -0.03610 -0.01269 0.02337 -0.01310 0.03242 -0.04833 -0.00389 -0.03291 -0.02502 0.10097 -0.03332 -0.17771 0.04169 -0.04365 -0.00532 0.00027 -0.18799 0.02463 0.02426 0.13992 -0.10316 0.11142 0.00811 0.02239 0.00838 -0.00333 -0.03591 -0.08956 0.05624 0.04117 0.04636 0.15518 -0.06341 0.03404 -0.00660 0.01069 0.02352 0.05587 0.01028 0.03060 -0.07210 0.24637 0.09969 0.06381 -0.12583 0.26821 0.01496 0.00010 -0.00980 0.00753 0.01330 -0.12791 0.05308 -0.02859 0.01472 -0.09047 -0.00443 -0.00024 -0.00231 0.02455 -0.01256 0.11538 0.00997 0.02689 -0.03551 0.06441 -0.00608 -0.00793 0.00804 -0.00591 0.00385 0.05108 -0.03745 0.00975 0.05819 -0.09350 0.00377 0.00341 -0.00282 -0.00254 -0.00122 0.00692 -0.00058 0.00061 0.00027 0.00013 -0.00046 0.00216 0.00027 -0.00268 -0.00064 -0.00236 0.00198 -0.00075 -0.00029 0.00077 0.00409 -0.00154 0.00024 -0.00384 0.00226 0.00030 0.00100 0.00007 -0.00008 -0.00001 0.00336 0.00143 -0.00048 -0.00369 0.00058 0.00009 0.00095 0.00103 -0.00005 0.00038 0.00285 -0.00180 -0.00073 0.00057 0.00092 0.00489 -0.00084 0.00055 0.00062 -0.00041 0.00101 -0.00143 0.00100 -0.00161 0.00193 -0.00049 -0.00083 -0.00008 -0.00094 0.00062 0.00165 -0.00241 0.00167 -0.00262 0.00322 -0.00086 -0.00134 -0.00011 -0.00157 0.00104 -0.08472 -0.00328 0.02072 0.01341 -0.03358 -0.11090 0.02489 -0.02037 -0.00081 -0.00284 -0.08093 0.16606 -0.04262 -0.02709 -0.10770 0.07199 -0.00740 0.01004 0.00056 0.00447 0.07436 -0.08607 0.00795 0.04712 0.04414 0.09787 -0.01114 0.01653 0.00353 -0.00305 -0.00748 0.00858 -0.00557 0.00945 -0.01293 0.00380 0.00314 -0.00013 0.00544 -0.00399 -0.12431 -0.00393 0.03095 0.01915 -0.04914 -0.16322 0.03714 -0.02986 -0.00096 -0.00361 -0.11680 0.24713 -0.06336 -0.04187 -0.15799 0.10611 -0.01070 0.01443 0.00126 0.00672 0.11049 -0.12653 0.01088 0.07028 0.06444 0.14370 -0.01670 0.02322 0.00457 -0.00354 -0.01691 0.00756 -0.00467 0.03176 -0.01049 -0.00302 0.02095 0.01087 0.01254 -0.00960 -0.12152 -0.00938 0.02663 0.02507 -0.04485 -0.20109 0.05123 -0.03459 -0.00081 -0.01262 -0.11437 0.22235 -0.05732 -0.03197 -0.15012 0.12621 -0.00572 0.02130 -0.00088 0.00552 0.10157 -0.12127 0.01094 0.06857 0.06672 0.17266 -0.01611 0.03646 0.01228 -0.01544 -0.11798 -0.05321 -0.01444 0.06018 -0.01041 -0.04569 -0.10968 -0.06556 0.02128 -0.20028 -0.01239 -0.00749 0.00552 0.01062 -0.00684 -0.10993 0.03463 -0.02002 0.01096 -0.05491 -0.01654 -0.00537 -0.01135 -0.00394 -0.01662 0.07018 -0.01177 0.00780 0.00102 -0.01750 -0.00308 -0.00360 0.00849 0.00812 -0.00355 0.09824 -0.07021 -0.00397 -0.00154 0.02187 0.00590 -0.00472 -0.00018 0.00302 0.00231 -0.00326 0.00222 -0.00070 -0.00024 -0.00004 -0.00022 -0.00351 0.00091 0.00269 -0.00021 -0.00069 0.00048 -0.00029 0.00012 -0.00003 -0.00026 0.00434 -0.00173 -0.00022 -0.00221 -0.00401 -0.00060 -0.00103 -0.00029 -0.00010 -0.00351 -0.00349 0.00187 0.00163 -0.00014 0.00518 -0.00147 0.00085 0.00019 0.00012 -0.00390 0.00729 -0.00196 -0.00178 -0.00349 0.00017 -0.00009 0.00021 0.00000 -0.00008 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 H 1S 2S 3S 4S 5PX 5PY 5PZ 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 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 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 14 H 1S 2S 3S 4S 5PX 5PY 5PZ 15 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 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 O 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 O 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 O 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 20 O 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 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 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 H 1S|2S|3S|4S|5PX|5PY|5PZ|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 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|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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|14 H 1S|2S|3S|4S|5PX|5PY|5PZ|15 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|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 O 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 O 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 O 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|20 O 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 1.10434 0.88495 0.18428 0.23205 0.22225 0.73923 0.46059 0.55038 0.53226 0.49459 0.16021 0.33633 0.30278 0.14865 -0.01136 0.00247 -0.00338 0.01285 0.01432 0.00564 0.01475 0.01076 1.10440 0.88463 0.20159 0.20924 0.22828 0.75670 0.47102 0.49904 0.52048 0.47056 0.08345 0.30385 0.27915 0.26490 0.01303 0.02716 0.00909 0.01298 0.01791 0.00974 0.01445 0.01764 0.26768 0.46469 0.01608 -0.03046 0.00415 0.00995 0.01274 1.10455 0.88461 0.24998 0.18229 0.19261 0.76503 0.56165 0.45298 0.46409 0.49051 0.20610 0.26052 0.19487 0.09484 0.07498 -0.02007 -0.05710 0.01469 0.02160 0.01039 0.01207 0.01634 1.09530 0.89604 0.25831 0.27331 0.26611 0.85702 0.59729 0.62224 0.60763 0.61280 0.33095 0.44503 0.38455 -0.24614 -0.02115 -0.04395 -0.02427 0.01003 0.00902 0.00534 0.00937 0.00785 1.09526 0.89593 0.25774 0.27450 0.27332 0.85401 0.59020 0.62722 0.62241 0.62975 0.28171 0.46326 0.42653 -0.16699 -0.02741 -0.00673 0.05633 0.00534 0.00860 0.00477 0.00748 0.00761 1.13200 0.85482 0.16664 0.14973 0.17187 0.63197 0.39304 0.35812 0.39807 0.03042 0.04854 0.05495 0.13606 0.01469 0.00266 0.01071 0.03451 0.02723 0.02427 0.02434 0.02880 0.02902 0.25639 0.37282 -0.06831 -0.00454 0.01260 0.01401 0.01606 0.26308 0.51734 0.15123 -0.07379 0.00226 0.00350 0.00631 0.27029 0.47360 0.01228 -0.00952 0.00381 0.01356 0.00459 0.27051 0.48146 0.03570 0.01289 0.00930 0.00703 0.00611 0.27017 0.47213 0.01430 -0.00828 0.00321 0.00568 0.01309 1.10440 0.88476 0.22780 0.20303 0.20877 0.76271 0.50449 0.48291 0.48394 0.41914 0.11111 0.21878 0.16199 -0.06764 0.05567 0.02006 0.01638 0.02315 0.02340 0.01418 0.01951 0.02227 0.26643 0.47777 -0.00611 -0.06611 0.01017 0.00844 0.00743 1.09583 0.89570 0.23689 0.27186 0.23352 0.92355 0.55295 0.62097 0.54986 0.56531 0.26717 0.31549 0.22256 0.20643 0.04924 0.14649 0.10460 0.03456 0.02567 0.02510 0.02112 0.02090 1.09581 0.89572 0.25084 0.22914 0.26412 0.92079 0.58108 0.54148 0.60826 0.56565 0.18216 0.36405 0.26397 0.23488 0.16650 0.06556 0.12052 0.02671 0.03893 0.01543 0.02106 0.02536 1.08466 0.90859 0.34675 0.31352 0.29052 1.02647 0.72116 0.65935 0.62546 0.90427 0.50243 0.52411 0.33455 -0.15464 -0.02442 0.00063 -0.00163 0.00559 0.00664 0.00366 0.00129 0.00159 1.08466 0.90855 0.26483 0.29802 0.38651 1.02939 0.58183 0.63266 0.79177 0.91206 0.25022 0.47326 0.58574 -0.24175 -0.01641 0.01234 -0.00360 0.00260 0.00371 0.00049 0.00687 0.00603 1.08465 0.90860 0.32981 0.34355 0.27838 1.02279 0.68784 0.71667 0.60314 0.91046 0.53641 0.49815 0.36066 -0.17716 -0.01174 0.00043 -0.00529 0.00514 0.00367 0.00549 0.00146 0.00241 1.08467 0.90855 0.27525 0.36379 0.31038 1.03061 0.59641 0.75111 0.65819 0.90979 0.34493 0.52790 0.42726 -0.20755 -0.01000 -0.00143 -0.01601 0.00342 0.00624 0.00300 0.00415 0.00349 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 C C H C N N B H H H H H C H N N O O O O -0.398941 -0.399305 0.255163 -0.177509 0.047340 -0.180847 0.277534 0.400973 0.130061 0.231389 0.177009 0.229698 0.099193 0.301984 -0.385752 -0.478005 -0.080551 0.030208 -0.105500 0.025861 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 4 5 6 7 13 15 16 17 18 19 20 C C C N N B C N N O O O O 0.239155 -0.144143 -0.177509 0.047340 0.220126 0.407595 0.401177 -0.385752 -0.478005 -0.080551 0.030208 -0.105500 0.025861 0.00000 146.001 -2.018 92.895 -2.203 -18.292 108.877 136.757 -3.789 92.877 -1.577 -16.885 119.717 -6.9471 -0.0009 -0.0007 0.0004 9.1648 14.2909 27.0194 46.2299 77.5745 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 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 26.8611 45.6069 77.5098 86.7201 113.2073 124.8490 177.4610 219.1599 256.6184 307.5244 336.2012 354.9576 398.9175 498.5135 590.1975 634.9608 646.8485 695.2552 729.8014 772.5083 785.6901 795.0110 848.1107 859.4362 907.1803 933.9283 1007.4466 1063.6296 1084.2445 1105.1186 1111.0189 1157.0477 1173.5025 1185.0400 1260.1401 1369.3340 1426.4072 1455.1489 1469.4314 1476.1479 1486.5362 1496.3762 1524.7578 1586.2564 1603.6567 1618.3738 1658.8963 2575.8578 3084.3338 3173.2407 3187.6273 3306.0329 3316.8713 3589.9975 11.3026 3.0519 1.7164 3.2220 4.8206 5.8985 11.6692 4.4926 6.2460 5.7921 10.7691 13.7981 3.1301 8.7065 6.8338 2.9299 3.5199 4.6005 5.1592 1.3919 3.2367 2.1813 2.0659 1.4720 8.3970 4.7325 2.6105 3.6845 1.5878 1.4681 1.5373 1.3327 1.2993 1.5654 2.0006 4.6420 2.6893 8.8494 1.2849 3.4948 1.0391 13.5786 1.2008 12.6623 9.2546 6.9592 4.4954 1.0884 1.0325 1.1073 1.1065 1.1027 1.1024 1.0843 0.0048 0.0037 0.0061 0.0143 0.0364 0.0542 0.2165 0.1271 0.2423 0.3227 0.7172 1.0243 0.2935 1.2748 1.4025 0.6960 0.8677 1.3102 1.6190 0.4894 1.1772 0.8123 0.8755 0.6406 4.0715 2.4320 1.5611 2.4559 1.0997 1.0564 1.1180 1.0512 1.0542 1.2952 1.8717 5.1284 3.2239 11.0402 1.6346 4.4867 1.3529 17.9138 1.6448 18.7720 14.0227 10.7390 7.2889 4.2548 5.7870 6.5691 6.6242 7.1010 7.1459 8.2335 0.8859 1.4631 0.1308 0.9929 4.5838 1.1504 15.3701 8.0249 2.5375 13.0407 5.8668 0.7271 3.5321 20.8145 8.2141 28.3533 9.2113 1.0838 56.5691 60.9821 31.9113 75.4424 12.1799 18.8245 7.0461 2.3912 11.4938 9.0789 8.8544 49.5998 26.6451 0.4042 162.0718 85.6811 63.5294 25.0560 11.2514 116.5776 3.9796 44.4576 16.8467 32.2183 12.8658 292.7116 577.7793 156.1571 18.4694 85.7696 18.0340 3.0914 3.5964 26.6768 8.8515 286.5327 -0.01 -0.19 -0.08 0.00 -0.06 -0.05 0.02 -0.09 -0.08 -0.01 0.02 -0.02 -0.01 -0.08 -0.03 -0.03 0.05 0.03 -0.01 0.04 -0.02 -0.04 0.12 0.07 -0.00 0.06 -0.03 -0.01 -0.18 -0.26 -0.01 -0.09 0.03 0.00 -0.38 -0.02 -0.03 -0.01 0.02 -0.04 -0.00 0.05 0.03 0.02 0.02 -0.03 0.05 0.00 0.11 0.54 0.17 -0.18 -0.39 -0.12 -0.04 0.14 0.14 0.19 -0.14 -0.08 0.03 0.14 0.09 0.02 0.07 0.04 0.04 0.18 0.12 0.01 -0.03 -0.03 0.01 0.01 -0.00 -0.01 -0.15 -0.12 0.01 0.01 -0.02 -0.03 -0.21 -0.18 0.04 0.07 -0.05 0.14 0.10 0.51 -0.02 -0.15 -0.15 -0.02 0.56 -0.03 -0.01 -0.12 -0.10 -0.02 -0.19 -0.16 -0.02 0.04 0.06 0.01 -0.03 -0.04 0.04 0.03 -0.01 -0.01 -0.10 -0.08 -0.01 0.07 0.08 -0.06 0.03 0.12 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.05 -0.03 -0.01 0.03 0.02 -0.02 -0.04 -0.02 -0.01 0.04 0.03 -0.01 0.02 0.02 -0.00 0.06 0.05 -0.02 0.01 0.02 0.24 -0.09 0.48 -0.09 -0.45 -0.36 -0.20 0.49 -0.15 -0.01 -0.00 0.00 -0.02 -0.01 0.00 0.03 0.00 -0.01 -0.01 0.01 0.02 -0.04 -0.04 -0.01 -0.00 0.04 0.03 -0.04 0.04 0.04 0.12 -0.05 -0.10 -0.02 -0.01 -0.02 0.00 0.12 0.09 0.02 0.23 0.17 -0.01 0.04 0.03 -0.01 0.04 0.02 -0.03 -0.11 -0.08 -0.01 0.04 0.03 -0.03 -0.15 -0.11 -0.02 0.05 0.02 -0.22 0.05 -0.43 0.04 0.35 0.27 0.11 -0.44 0.11 -0.03 -0.10 -0.09 -0.04 -0.19 -0.16 0.03 0.03 0.02 -0.01 -0.00 0.01 -0.04 -0.10 -0.02 0.01 0.05 0.02 -0.08 0.10 0.11 0.18 -0.06 -0.12 0.13 0.11 0.18 0.06 -0.17 -0.17 0.09 -0.23 -0.22 0.03 -0.14 -0.19 0.07 -0.04 -0.01 0.01 -0.02 -0.07 0.05 -0.05 -0.10 -0.01 0.05 -0.02 0.22 -0.02 -0.06 -0.05 0.14 0.14 0.13 0.28 0.38 0.38 0.01 0.20 0.03 0.05 0.05 0.03 0.17 0.18 -0.02 0.01 -0.00 -0.06 0.02 0.01 -0.16 0.06 -0.05 -0.03 0.05 0.17 -0.10 0.09 0.09 0.02 -0.04 -0.03 0.13 -0.22 0.14 0.11 0.13 0.04 0.22 0.19 0.08 0.02 0.15 -0.04 0.05 -0.03 0.07 -0.08 0.04 -0.05 0.01 0.10 -0.05 -0.20 0.00 -0.15 -0.02 0.06 -0.03 0.30 -0.25 0.15 0.01 -0.34 0.18 0.14 -0.21 0.13 -0.08 -0.08 0.01 -0.16 -0.19 0.00 0.10 0.04 -0.03 -0.13 0.01 -0.02 -0.23 -0.02 -0.08 -0.15 -0.07 0.06 0.24 -0.01 -0.12 0.02 0.05 0.06 -0.08 0.00 0.10 -0.10 -0.03 -0.07 -0.06 -0.04 -0.07 -0.12 -0.01 -0.09 -0.12 -0.04 -0.02 -0.17 -0.00 -0.06 -0.11 -0.06 -0.08 -0.24 -0.00 -0.10 -0.14 -0.09 -0.07 -0.14 0.01 0.11 -0.10 0.05 0.20 0.05 -0.02 0.11 -0.17 -0.03 -0.01 -0.19 -0.03 0.02 0.10 -0.15 0.06 0.01 0.12 -0.08 0.13 0.15 0.00 0.09 0.41 -0.12 0.32 0.01 0.07 0.09 -0.39 0.22 0.06 -0.15 -0.11 0.07 0.15 0.08 0.09 0.20 0.12 0.04 -0.02 -0.05 0.08 0.20 0.12 0.04 -0.02 -0.05 0.00 -0.12 -0.10 0.04 -0.06 -0.07 0.00 -0.13 -0.09 0.42 -0.22 -0.12 -0.02 -0.44 -0.29 -0.26 -0.11 -0.10 0.06 0.11 0.05 0.06 0.09 0.04 -0.07 -0.10 -0.02 0.00 -0.01 -0.05 -0.04 0.08 -0.06 0.03 0.07 0.06 -0.13 0.00 0.08 -0.10 -0.14 0.04 0.16 -0.10 0.12 0.02 0.11 -0.17 0.08 0.11 -0.18 -0.02 0.14 -0.16 0.00 0.06 -0.11 -0.07 0.14 -0.15 -0.03 -0.02 0.09 -0.11 0.16 -0.15 0.03 -0.08 0.15 0.32 -0.14 0.15 -0.02 -0.21 0.30 0.35 -0.12 0.12 -0.08 0.09 -0.11 -0.12 0.06 -0.07 -0.03 -0.06 0.06 -0.01 -0.05 0.13 0.17 -0.14 0.23 -0.01 0.01 -0.06 -0.13 -0.13 0.06 -0.01 0.02 -0.02 0.12 0.05 0.04 0.06 0.06 0.06 0.04 0.05 0.05 0.08 0.22 0.19 0.05 -0.18 -0.17 0.13 0.16 0.13 -0.04 -0.02 -0.00 0.18 0.15 0.16 -0.29 -0.11 -0.02 -0.11 0.09 0.10 0.13 0.22 0.21 0.41 0.06 0.03 0.08 -0.13 -0.14 0.07 -0.24 -0.23 -0.06 -0.11 -0.04 -0.04 0.02 -0.05 -0.06 0.06 -0.07 -0.03 0.05 -0.03 -0.12 -0.03 0.04 -0.12 -0.14 0.04 -0.11 -0.02 0.08 -0.09 0.12 -0.05 -0.07 0.11 -0.05 -0.05 0.15 -0.01 -0.16 -0.02 -0.07 -0.16 0.14 -0.00 0.10 -0.04 -0.08 -0.25 0.15 -0.05 -0.03 -0.07 -0.10 -0.12 -0.02 0.11 -0.17 -0.01 0.19 0.04 -0.02 0.08 -0.19 -0.01 -0.06 -0.22 -0.07 -0.09 0.01 -0.02 -0.10 0.33 -0.09 -0.01 0.06 0.05 -0.17 0.33 -0.26 0.40 -0.01 0.09 -0.01 -0.08 -0.05 0.03 0.08 -0.02 0.01 0.00 -0.03 0.02 -0.03 -0.02 0.02 -0.00 -0.06 0.02 0.04 0.02 -0.01 0.08 -0.04 -0.01 -0.09 0.05 0.03 0.11 -0.03 0.01 -0.08 -0.14 0.16 0.13 -0.03 0.01 0.03 -0.06 0.04 0.10 -0.03 0.01 0.07 0.01 -0.02 0.09 0.02 -0.04 -0.21 0.12 -0.30 -0.01 0.04 0.21 0.11 -0.21 0.26 -0.06 -0.06 0.04 0.18 0.53 -0.23 -0.22 -0.33 -0.04 -0.08 0.11 -0.13 0.18 0.00 -0.00 0.39 0.01 -0.02 0.05 0.10 -0.11 0.09 -0.11 0.10 -0.10 0.07 -0.03 0.03 -0.01 -0.06 -0.26 0.11 -0.09 0.05 -0.07 -0.01 -0.32 0.16 -0.15 0.16 0.27 -0.34 -0.28 0.14 -0.13 -0.06 -0.09 0.10 -0.18 -0.17 0.19 0.02 -0.03 -0.04 -0.02 -0.02 0.03 0.03 -0.04 0.07 -0.02 0.01 0.01 -0.03 0.00 0.01 -0.03 -0.02 0.02 0.05 0.03 -0.05 0.06 -0.06 -0.06 0.14 -0.06 -0.07 -0.01 0.02 -0.04 0.07 0.01 0.04 -0.03 -0.03 -0.08 -0.01 0.38 0.27 -0.07 -0.02 -0.09 0.18 0.41 0.28 0.03 0.03 -0.07 0.10 0.04 -0.11 -0.05 0.02 -0.04 -0.00 0.02 0.05 -0.04 0.04 0.13 -0.25 0.05 0.16 0.17 0.31 0.05 -0.06 -0.03 -0.17 0.03 -0.12 -0.03 -0.03 -0.19 -0.08 0.00 -0.25 0.02 -0.11 -0.03 0.06 -0.04 -0.02 -0.06 -0.10 -0.08 -0.10 0.06 0.03 0.03 -0.07 0.04 0.02 0.01 -0.06 -0.02 0.20 -0.01 0.02 -0.02 -0.03 -0.01 0.07 -0.57 0.37 -0.04 -0.04 0.04 -0.14 -0.06 0.08 -0.10 -0.04 0.06 -0.00 0.02 -0.00 0.05 0.07 -0.03 0.28 -0.17 -0.23 0.08 0.34 0.14 -0.07 -0.08 -0.04 -0.07 -0.06 -0.13 -0.10 0.04 0.09 -0.07 0.03 0.09 -0.02 0.02 0.03 -0.02 -0.10 -0.09 -0.04 -0.21 -0.17 0.01 -0.04 -0.03 0.02 0.19 0.14 0.03 0.14 0.12 0.03 -0.00 -0.02 -0.01 -0.04 -0.04 0.14 0.03 -0.01 0.12 -0.01 -0.08 -0.03 -0.03 -0.00 -0.16 -0.06 0.05 -0.02 -0.17 -0.13 -0.09 -0.64 -0.52 -0.02 0.01 0.02 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.12 0.04 -0.05 -0.02 -0.17 -0.09 -0.09 -0.49 -0.32 -0.03 0.21 0.17 0.07 0.09 0.07 -0.05 -0.12 -0.10 -0.13 0.02 0.08 -0.05 -0.13 -0.11 -0.55 -0.08 0.03 0.17 0.03 -0.12 0.12 0.01 -0.10 -0.01 -0.01 -0.03 -0.02 -0.00 0.01 -0.06 0.02 0.09 0.06 -0.04 -0.05 -0.00 -0.07 -0.03 0.01 0.03 -0.02 0.03 0.00 0.03 -0.00 0.03 0.03 -0.02 0.04 0.01 0.29 0.07 -0.16 -0.05 0.01 0.11 -0.13 0.21 0.28 -0.14 -0.17 -0.06 0.08 -0.01 -0.04 -0.12 0.07 0.10 -0.11 -0.14 0.06 -0.10 0.05 0.11 -0.10 -0.33 0.20 0.23 0.08 -0.13 0.29 0.08 -0.14 0.27 0.07 -0.16 -0.12 -0.01 -0.00 -0.24 -0.16 0.02 0.02 -0.04 -0.00 0.07 0.12 0.04 -0.03 -0.01 -0.05 0.02 -0.04 -0.03 0.06 0.04 0.05 0.00 0.08 -0.03 -0.15 -0.04 0.08 0.08 0.03 -0.06 0.30 0.03 -0.10 0.02 0.04 -0.07 -0.01 -0.02 0.05 0.07 0.05 -0.11 -0.09 -0.25 0.30 0.09 0.27 0.06 -0.14 -0.43 0.41 -0.16 -0.03 0.07 -0.10 -0.01 0.03 -0.18 -0.02 0.08 0.07 -0.04 -0.00 0.06 -0.01 0.04 -0.11 -0.03 0.06 0.06 -0.05 0.04 -0.13 0.07 -0.07 0.08 0.01 -0.11 0.12 0.09 0.04 -0.03 0.06 -0.11 -0.01 0.00 0.01 0.01 0.03 0.04 -0.02 -0.21 -0.14 -0.02 -0.00 -0.01 0.01 0.03 0.03 0.01 -0.02 -0.04 -0.04 -0.00 -0.07 0.18 0.65 0.58 -0.04 0.01 -0.07 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.00 0.01 -0.00 -0.09 -0.06 0.04 0.25 0.21 -0.00 -0.01 0.02 0.00 0.06 -0.00 0.03 -0.02 -0.00 -0.02 -0.02 0.03 0.01 -0.01 0.00 0.00 0.01 -0.00 0.08 0.03 -0.05 -0.02 0.06 0.03 -0.28 -0.36 -0.26 0.07 0.00 0.05 -0.01 0.03 -0.01 -0.09 -0.04 0.04 0.25 -0.01 0.10 -0.12 0.21 0.22 0.51 0.06 0.12 0.08 0.02 -0.05 0.06 0.01 -0.03 0.07 0.02 -0.04 -0.11 -0.04 -0.04 -0.07 0.27 0.22 -0.01 0.04 -0.02 -0.01 -0.15 0.04 -0.11 0.06 0.03 0.06 0.05 -0.11 -0.03 0.02 -0.06 -0.01 -0.06 0.02 -0.00 0.00 0.00 -0.01 -0.06 -0.04 0.15 0.55 0.41 -0.03 -0.07 -0.06 0.01 0.01 0.02 0.01 0.00 -0.02 -0.01 0.15 0.14 0.13 0.41 0.37 -0.16 0.13 0.10 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.01 -0.03 -0.15 -0.10 0.10 -0.03 -0.09 -0.02 -0.11 -0.04 -0.01 0.04 0.00 0.03 0.02 0.00 -0.05 0.01 -0.02 -0.02 -0.02 0.05 -0.02 -0.01 0.01 0.02 0.08 0.06 -0.01 -0.36 -0.26 -0.04 -0.09 -0.09 0.01 -0.00 0.01 0.04 0.09 0.04 -0.08 0.09 0.09 -0.04 -0.37 -0.36 -0.16 0.05 0.09 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.04 -0.01 0.02 0.02 -0.10 -0.07 0.13 0.49 0.38 0.07 -0.02 -0.06 -0.01 -0.03 -0.03 0.02 0.01 -0.01 0.01 0.00 0.02 -0.03 0.01 0.00 -0.00 0.00 0.03 0.01 0.01 0.00 -0.02 -0.09 -0.08 0.10 0.53 0.38 0.02 0.05 0.04 -0.00 0.04 0.02 -0.00 0.02 0.04 0.03 -0.03 -0.04 -0.06 -0.13 -0.11 0.03 -0.03 -0.04 0.06 -0.00 -0.04 -0.00 -0.03 -0.02 -0.05 -0.03 0.01 -0.02 -0.09 -0.07 0.09 0.55 0.41 -0.03 0.01 0.02 0.00 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.02 0.11 0.02 0.04 -0.07 0.02 -0.01 0.02 -0.02 0.02 0.04 0.04 -0.05 -0.17 -0.21 -0.11 0.10 0.02 -0.03 -0.47 -0.45 -0.03 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.03 -0.00 0.01 0.05 -0.01 -0.00 0.01 -0.04 0.03 0.09 0.32 0.01 0.09 0.02 0.12 -0.14 0.01 0.05 0.11 -0.02 -0.09 -0.24 -0.03 -0.27 0.23 -0.07 0.29 0.01 0.00 -0.01 0.01 0.02 -0.04 -0.00 0.06 -0.02 0.06 0.01 0.02 -0.01 0.01 -0.01 -0.03 -0.02 0.02 0.08 -0.16 0.20 -0.09 0.05 0.03 0.24 -0.58 0.55 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.04 0.00 0.01 -0.03 -0.00 -0.01 -0.00 0.11 0.01 -0.11 0.04 -0.19 0.22 -0.02 -0.13 -0.18 0.02 0.14 -0.06 0.02 -0.09 0.06 -0.03 0.07 0.00 -0.01 0.01 -0.11 -0.11 0.13 -0.21 -0.06 0.20 -0.13 0.05 0.05 0.04 -0.04 0.04 0.05 0.14 -0.19 0.03 -0.03 -0.00 0.18 0.04 -0.21 0.75 0.13 0.09 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.07 -0.02 0.01 -0.19 -0.14 0.26 0.02 -0.02 -0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.11 0.01 0.00 0.24 -0.18 0.19 0.50 -0.24 0.15 -0.02 -0.04 0.06 0.05 0.06 -0.09 -0.08 0.02 -0.00 -0.00 0.01 -0.00 0.22 -0.14 0.07 0.10 -0.11 0.11 0.08 -0.03 0.08 -0.35 -0.11 0.24 0.10 -0.07 0.02 -0.12 0.15 -0.18 -0.10 0.20 -0.22 -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 -0.02 0.02 0.01 0.03 -0.06 0.33 0.03 -0.10 -0.04 0.06 -0.01 -0.00 -0.01 0.01 -0.01 -0.07 0.08 -0.14 -0.06 0.03 0.14 -0.13 0.13 0.70 0.37 -0.02 -0.10 0.01 -0.02 0.15 0.05 -0.10 -0.10 0.04 0.00 -0.01 0.02 -0.03 0.18 0.12 -0.20 0.05 -0.02 -0.03 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.00 0.02 -0.02 0.04 -0.04 0.03 -0.00 -0.00 0.06 -0.01 -0.01 0.04 -0.03 0.02 -0.02 0.02 -0.02 -0.00 0.02 -0.02 0.01 -0.12 0.10 -0.11 0.06 -0.06 -0.14 0.68 -0.50 0.19 -0.01 0.03 -0.23 -0.08 0.16 0.19 -0.06 -0.02 -0.00 -0.03 0.03 -0.12 -0.09 0.14 0.02 -0.01 -0.03 0.01 0.05 0.01 0.01 -0.01 -0.01 -0.04 0.00 0.01 -0.01 0.01 -0.02 0.00 -0.00 0.01 -0.02 0.07 -0.09 -0.00 0.01 -0.01 0.28 -0.02 -0.06 -0.02 0.03 -0.01 -0.06 0.02 -0.01 0.01 -0.03 0.03 -0.05 0.05 -0.05 -0.16 0.05 -0.01 0.28 -0.25 0.25 0.41 -0.02 0.05 -0.41 -0.14 0.29 0.41 -0.11 -0.06 0.06 -0.07 0.08 0.07 -0.08 0.09 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.01 0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.12 -0.09 -0.01 -0.01 -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 0.01 0.06 0.05 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 -0.01 -0.03 -0.01 0.00 -0.01 -0.46 -0.05 0.46 0.08 0.28 0.20 0.47 0.35 -0.24 0.00 -0.00 -0.00 0.03 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 0.01 -0.02 -0.05 0.04 -0.03 0.43 -0.01 -0.13 -0.06 0.02 -0.01 -0.01 -0.01 0.02 0.06 -0.02 0.02 0.08 0.00 -0.00 0.61 -0.29 0.14 -0.15 -0.05 -0.04 0.02 0.00 0.00 -0.01 0.00 0.01 0.04 -0.00 -0.02 -0.06 0.01 -0.00 -0.39 -0.16 0.30 -0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.07 0.00 -0.00 -0.06 -0.02 0.05 0.69 -0.10 -0.09 -0.09 -0.01 0.02 -0.08 -0.02 0.03 -0.03 0.03 -0.03 0.12 -0.01 0.01 -0.24 0.13 -0.08 -0.22 0.01 -0.10 0.01 0.02 -0.06 0.15 0.02 -0.10 -0.05 0.00 0.00 0.06 0.00 -0.02 0.39 0.17 -0.32 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 0.03 -0.02 0.04 -0.05 0.49 0.01 -0.14 0.10 -0.15 0.17 -0.03 0.04 -0.05 0.01 0.03 -0.04 -0.09 0.04 -0.03 -0.36 0.21 -0.13 0.17 -0.06 0.11 -0.16 0.01 -0.06 0.13 0.03 -0.09 -0.15 0.07 0.01 0.00 0.02 -0.03 -0.42 -0.21 0.34 0.01 0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.17 -0.01 0.04 -0.18 0.05 -0.03 0.24 0.03 -0.11 -0.15 0.04 -0.03 0.38 -0.02 -0.06 -0.06 -0.09 0.12 0.08 -0.02 0.01 -0.63 0.18 0.01 -0.07 0.02 -0.06 0.06 -0.05 0.12 -0.19 -0.01 0.07 0.05 -0.11 0.07 0.13 0.06 -0.10 -0.21 -0.14 0.22 -0.02 0.02 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.06 0.06 -0.06 -0.07 0.08 -0.10 -0.01 0.09 -0.12 0.08 -0.12 0.14 0.11 -0.12 0.13 -0.08 0.08 -0.09 -0.02 0.02 -0.01 0.37 -0.11 0.03 0.02 -0.03 0.03 0.30 -0.04 0.34 -0.06 0.05 -0.04 0.24 -0.37 0.06 -0.06 0.02 -0.02 0.30 0.23 -0.36 0.01 -0.01 0.01 0.00 0.00 -0.02 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.04 -0.05 -0.10 -0.05 0.08 0.04 -0.07 0.08 0.10 0.07 -0.11 -0.02 -0.08 0.11 0.23 -0.04 0.00 -0.06 -0.07 0.04 -0.27 0.23 -0.10 0.03 0.04 -0.01 0.12 -0.00 0.26 0.03 0.03 -0.07 0.10 -0.28 0.05 -0.21 0.08 -0.06 -0.14 0.15 -0.18 0.02 0.40 -0.26 -0.01 0.04 -0.09 -0.03 -0.01 0.06 0.04 -0.02 0.01 0.10 -0.22 0.27 -0.10 -0.09 -0.06 -0.10 -0.04 0.07 0.02 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.02 0.01 0.02 -0.03 -0.02 0.01 -0.01 0.01 -0.01 0.00 0.10 -0.04 0.02 -0.00 -0.00 -0.00 0.38 -0.09 -0.44 0.31 0.18 -0.33 0.50 0.35 -0.08 -0.01 -0.03 0.03 0.06 0.01 -0.02 0.00 0.03 -0.02 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.02 0.02 -0.01 -0.01 -0.01 -0.05 0.01 -0.00 -0.11 -0.05 0.09 0.13 -0.08 0.07 0.12 0.05 -0.10 -0.01 -0.05 0.07 0.19 -0.04 0.01 -0.03 0.03 -0.01 -0.46 0.25 -0.19 0.00 0.02 0.01 0.29 -0.05 0.03 0.23 0.11 -0.31 0.38 -0.12 0.02 -0.16 0.08 -0.06 -0.19 0.09 -0.09 -0.03 -0.17 0.09 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.04 0.08 -0.10 0.06 0.04 0.04 -0.01 -0.04 -0.03 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.49 -0.12 0.07 0.09 0.53 0.43 -0.45 0.23 -0.07 -0.01 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 -0.01 -0.00 0.01 -0.01 0.04 0.01 -0.01 0.02 -0.02 0.02 -0.01 -0.02 0.02 0.02 0.00 -0.01 -0.08 0.05 -0.10 0.00 0.02 -0.00 0.03 -0.01 -0.04 0.14 -0.03 0.11 0.11 0.11 -0.08 0.06 -0.10 0.02 -0.01 0.01 -0.01 -0.02 0.02 -0.01 0.00 0.11 -0.08 0.16 -0.30 0.62 0.20 0.10 -0.44 -0.31 0.13 -0.04 0.03 -0.06 0.08 -0.02 -0.02 -0.01 -0.03 0.01 -0.01 0.05 -0.01 0.00 -0.04 -0.01 0.01 -0.04 0.01 0.00 -0.05 0.05 -0.05 -0.02 -0.01 0.01 0.01 -0.00 0.00 -0.01 -0.02 0.02 0.00 0.00 -0.00 0.16 -0.07 0.54 0.39 0.27 -0.34 0.01 -0.51 0.16 0.04 -0.01 0.01 -0.06 -0.08 0.12 0.00 0.00 -0.00 -0.01 0.01 -0.01 -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 0.00 0.07 0.03 -0.05 -0.14 0.04 -0.04 -0.13 -0.01 0.05 0.05 0.04 -0.06 0.10 0.00 -0.02 0.02 0.04 -0.01 0.04 0.04 -0.02 0.10 -0.07 0.03 -0.09 0.01 0.06 -0.04 -0.02 0.04 -0.11 -0.04 0.02 -0.12 -0.06 0.10 0.17 0.09 -0.16 -0.27 -0.11 -0.23 0.56 -0.12 -0.24 -0.13 -0.02 0.18 -0.35 0.12 0.03 0.03 -0.03 0.05 0.19 0.10 0.15 0.01 0.00 -0.00 -0.11 -0.05 0.09 0.03 -0.08 0.09 0.23 0.06 -0.13 -0.10 -0.05 0.09 -0.20 -0.00 0.05 -0.07 -0.01 0.02 0.12 -0.16 0.13 -0.06 -0.06 0.04 0.14 -0.02 -0.08 0.08 0.04 -0.07 0.15 0.05 -0.02 0.24 0.09 -0.17 -0.27 -0.20 0.31 0.26 0.10 0.23 0.34 -0.06 -0.13 -0.07 -0.01 0.10 -0.20 0.06 0.01 -0.03 0.02 -0.05 -0.18 -0.10 -0.14 -0.02 -0.01 0.02 0.03 0.02 -0.04 0.08 0.03 -0.07 -0.16 -0.04 0.08 0.14 0.10 -0.16 0.20 0.00 -0.04 0.02 -0.01 -0.02 -0.25 0.18 -0.22 0.00 -0.04 0.01 -0.18 0.02 0.13 -0.05 -0.02 0.05 -0.20 -0.09 0.05 -0.27 -0.12 0.22 0.33 0.21 -0.33 0.26 0.07 0.24 0.08 -0.01 -0.02 -0.01 -0.00 0.01 -0.05 0.02 0.00 -0.04 0.03 -0.07 -0.18 -0.09 -0.14 -0.01 -0.02 0.03 -0.24 -0.07 0.14 0.46 -0.14 0.06 0.27 0.05 -0.12 0.10 0.13 -0.19 -0.10 0.04 -0.03 -0.05 0.00 0.01 0.44 -0.19 0.13 -0.02 0.02 0.01 -0.17 0.00 0.17 0.05 0.01 -0.02 -0.20 -0.13 0.07 -0.04 -0.12 0.17 0.30 0.03 -0.10 -0.05 -0.01 -0.04 -0.01 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.03 0.02 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 0.02 -0.05 -0.07 0.00 -0.00 -0.00 -0.23 0.55 0.80 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.03 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 0.11 0.59 0.04 0.37 -0.26 0.24 -0.03 -0.18 -0.58 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.12 0.69 0.03 0.00 -0.02 -0.00 0.04 0.20 0.68 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.06 -0.06 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 -0.36 -0.03 0.62 -0.43 0.40 0.01 0.12 0.34 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.09 0.13 0.00 -0.00 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 0.00 0.00 -0.07 0.05 -0.04 0.70 -0.49 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.05 -0.07 0.08 -0.59 0.78 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.11 0.08 -0.08 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.04 -0.05 -0.00 -0.00 -0.00 -0.43 -0.54 0.72 0.00 0.00 -0.00 -0.00 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 6 6 1 6 7 7 5 1 1 1 1 1 6 1 7 7 8 8 8 8 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 6 6 1 6 7 7 5 1 1 1 1 1 6 1 7 7 8 8 8 8 12.00000 12.00000 1.00783 12.00000 14.00307 14.00307 11.00931 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 1.00783 14.00307 14.00307 15.99491 15.99491 15.99491 15.99491 186.05604 1338.27943 3249.85623 4304.63276 0.99962 -0.00257 -0.0274 0.02065 0.72805 0.68522 0.01819 -0.68552 0.72782 asymmetric 1 0.06472 0.02665 0.02012 1.34855 0.55533 0.41926 375480.9 38.65 65.62 111.52 124.77 162.88 179.63 255.33 315.32 369.22 442.46 483.72 510.70 573.95 717.25 849.16 913.57 930.67 1000.32 1050.02 1111.47 1130.43 1143.84 1220.24 1236.54 1305.23 1343.71 1449.49 1530.33 1559.99 1590.02 1598.51 1664.73 1688.41 1705.01 1813.06 1970.17 2052.28 2093.63 2114.18 2123.85 2138.79 2152.95 2193.79 2282.27 2307.30 2328.48 2386.78 3706.08 4437.67 4565.59 4586.28 4756.64 4772.24 5165.21 0.143013 0.155200 0.156144 0.102470 -701.106223 -701.094036 -701.093092 -701.146766 97.389 42.620 112.966 0.000 0.000 0.000 0.889 2.981 41.569 0.889 2.981 31.305 95.612 36.659 40.093 1 0.593 1.984 6.049 2 0.595 1.979 4.999 3 0.599 1.964 3.953 4 0.601 1.958 3.733 5 0.607 1.939 3.213 6 0.610 1.928 3.024 7 0.628 1.870 2.355 8 0.647 1.812 1.966 9 0.666 1.752 1.685 10 0.697 1.659 1.376 11 0.717 1.603 1.230 12 0.731 1.565 1.144 13 0.765 1.472 0.967 14 0.854 1.253 0.662 15 0.948 1.053 0.467 0.736312e-47 -47.132938 -108.527601 0.445121e+19 18.648478 42.939707 0.476566e-61 -61.321877 -141.198840 1 0.770927e+01 0.887013 2.042424 2 0.453455e+01 0.656535 1.511727 3 0.265801e+01 0.424556 0.977577 4 0.237223e+01 0.375157 0.863832 5 0.180792e+01 0.257180 0.592178 6 0.163496e+01 0.213508 0.491619 7 0.113279e+01 0.054148 0.124680 8 0.902871e+00 -0.044374 -0.102176 9 0.758140e+00 -0.120250 -0.276887 10 0.615767e+00 -0.210583 -0.484886 11 0.553623e+00 -0.256786 -0.591271 12 0.518098e+00 -0.285588 -0.657591 13 0.447153e+00 -0.349544 -0.804854 14 0.330121e+00 -0.481327 -1.108297 15 0.255546e+00 -0.592530 -1.364352 0.288097e+05 4.459539 10.268469 1 0.822547e+01 0.915161 2.107236 2 0.506204e+01 0.704325 1.621769 3 0.320463e+01 0.505777 1.164595 4 0.292435e+01 0.466030 1.073073 5 0.237579e+01 0.375808 0.865330 6 0.220971e+01 0.344335 0.792860 7 0.173823e+01 0.240106 0.552865 8 0.153207e+01 0.185280 0.426622 9 0.140817e+01 0.148656 0.342293 10 0.129320e+01 0.111666 0.257121 11 0.124599e+01 0.095514 0.219929 12 0.122002e+01 0.086366 0.198865 13 0.117078e+01 0.068475 0.157670 14 0.109915e+01 0.041057 0.094536 15 0.106152e+01 0.025928 0.059701 0.100000e+01 0.000000 0.000000 0.997515e+08 7.998920 18.418193 0.154888e+07 6.190019 14.253046 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 16.3733 -0.4049 2.3210 16.5420 -62.4567 -81.3887 -76.5701 -2.9347 -2.7247 1.7164 11.0151 -7.9168 -3.0983 -2.9347 -2.7247 1.7164 166.3179 23.1201 1.1965 30.7198 -1.3732 2.3854 25.8259 -3.6997 -3.0389 -24.7052 -1883.8334 -548.1452 -503.5246 -17.8666 -53.0009 -38.9095 180.3144 -4.5449 174.7316 -483.6522 -420.4516 -182.3848 44.9613 9.0147 -14.7209 0 -701.249236 1.608E-9 8.44E-6 0.1430131 0.1551997 -701.0940363 -701.0930921 -701.1467659 8.1894583,-5.8859779,-2.3034805,-2.1819025,-2.0257465,1.2761057 C01 [X(C4H7B1N4O4)] 6.4417557 -0.1592967 0.9131546 0.5657842 0.1153525 -0.2072189 0.1111178 0.2149055 -0.0253452 -0.2277265 -0.0298694 0.279699 0.015878 0.0941673 -0.144273 -0.1529523 -0.0565966 -0.0108108 0.163503 -0.0885868 -0.0217723 0.1634332 -0.0119117 0.0216622 -0.0014144 0.1655285 0.0235756 0.0390704 0.0390156 0.1358019 0.0018503 -0.0729924 0.0592645 0.0895212 -0.1355819 0.012533 -0.1925869 0.0554352 -0.0652525 -0.5061804 -0.2114033 0.3003365 -0.1839822 -0.1231453 0.0188197 0.3264454 0.0241 -0.2109426 -0.4774445 -0.1759669 0.2286277 -0.2231372 -0.2222466 0.0512478 0.3592294 0.0952704 -0.3635446 1.0020073 -0.0749087 0.0152881 -0.0293661 0.6941305 -0.1157083 0.1341063 -0.1537959 0.6120664 0.5130165 0.0757052 0.0084103 0.1244784 0.3272972 -0.0124447 -0.0922473 -0.0441836 0.3680087 -0.2375381 0.0397578 0.0469742 0.0210812 -0.1831486 -0.0352425 0.0233818 -0.0273527 -0.2145715 0.0192244 0.0097943 0.0521521 -0.0617267 -0.0467807 0.0089274 0.0463409 -0.0263156 0.0822544 -0.004943 0.0073454 0.0156775 0.06764 0.054876 0.0640997 -0.0584546 0.0781458 0.0336666 0.0171999 -0.0448177 -0.0271379 -0.0252237 0.0884591 -0.0476955 0.0539084 -0.0225689 -0.0349014 0.21806 0.2171316 -0.308424 0.3032307 0.1321379 -0.1065156 -0.4303573 -0.076613 0.3024017 0.1038129 0.0024662 0.0146499 -0.0073482 0.1789458 0.0255536 0.0374683 0.0195497 0.166981 0.988774 0.1685588 0.8393379 0.1759899 0.6486498 -0.2630574 0.9914111 -0.2231007 1.3144963 1.6402352 -0.312973 -0.6885627 -0.3391601 0.2390118 -0.1020464 -0.7522807 -0.0478251 0.8940061 -0.9892362 0.1515371 0.2028296 -0.0436678 -0.3575656 0.2042174 0.6911326 0.0545041 -0.9796664 -1.3422491 0.227514 0.4026087 0.4472613 -0.4081756 -0.0517253 -0.0685517 0.1108135 -0.4838949 -0.7888406 -0.0823617 -0.2653552 0.2193963 -0.6960193 0.5753241 -0.5447337 0.2132193 -1.0612827 -0.902844 -0.1219947 -0.5668473 -0.4917381 -0.514682 -0.2137068 -0.4990588 0.0501579 -0.7535533 146.0009021|-2.0181879|92.8950305|-2.20321|-18.2921729|108.8772677 -0.000002196 0.000002392 0.000003215 -0.000008352 0.000003938 -0.000002621 0.000001976 0.000003618 0.000000838 -0.000006207 0.000003271 -0.000002605 -0.000004761 -0.000006759 -0.000002094 -0.000002148 -0.000000666 -0.000001551 0.000015905 -0.000009261 -0.000010455 0.000001217 -0.000002099 0.000006903 -0.000004242 0.000000893 0.000008067 -0.000001960 0.000004627 -0.000001304 -0.000001396 0.000004733 -0.000000917 0.000000082 0.000005500 -0.000001958 0.000012330 0.000005311 -0.000003576 0.000000156 -0.000001084 -0.000001510 0.000019168 -0.000006266 0.000040516 0.000004599 -0.000002970 -0.000007596 -0.000005209 -0.000002121 0.000011448 -0.000008150 -0.000000084 -0.000000560 -0.000000197 0.000004067 -0.000019172 -0.000010614 -0.000007041 -0.000015067 178.87820000000002 AuxInfo=1/0/N:1,2,13,4,7,6,5,15,16,19,20,17,18/E:(8,9)(10,11,12,13)/CRV:2.3,3.3,4.3,5.4,10.1,11.1,12.1,13.1/rA:20nCC3HC3NNB4HHHHHC3HNNO1O1O1O1/rB:;s2;s2;s1s2;s4;s4;s6;s7;s1;s1;s1;s5s6;s13;s7;s7;s16;s16;s15;s15;/rC:3.9475,.3643,-.7815;1.4456,.5729,-.5334;1.3447,1.2184,-1.3874;.4943,.0803,.3095;2.6728,.079,-.1342;1.1952,-.7043,1.2069;-1.0815,.3025,.4775;.7267,-1.256,1.9181;-1.3562,.9643,1.438;4.1515,1.4328,-.7261;4.7366,-.1836,-.2707;3.902,.049,-1.8229;2.4918,-.7018,.9245;3.2612,-1.2407,1.4509;-1.7536,-1.1269,.7018;-1.7502,.9851,-.789;-1.095,1.1553,-1.8138;-2.9074,1.3499,-.6855;-1.3122,-1.7712,1.6592;-2.6299,-1.5546,-.0173;