Gaussian 16 GINC-NODE023 QSB14101 m-terphenyl 2-radical ES64L-G16RevC.01 8-Aug-2025 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 UM062X GenECP FOpt #p nosymm gfprint gfinput scf(maxcyc=200,xqc) m062x/genecp scrf(CPCM,solvent=benzene) opt freq=noraman temperature=403.15 216.1925999999999 0 2 AuxInfo=1/0/N:1;2;3;4;5;6;9;10;11;12;14;16;20;21;22;23;25;27;7;8;13;15;17;18;19;24;26;28;29;30;31/rA:31nC0C0C0C0C0C0H0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.634,-.9704,-.9818;1.9779,-.8439,-1.2365;2.7702,.2486,-.9799;2.1452,1.3688,-.3954;.7966,1.2244,-.1371;-.0135,.1373,-.3976;.0949,-1.8873,-1.1937;3.8342,.2464,-1.1903;-1.4601,.148,-.075;-1.9368,.947,.9696;-2.3696,-.6228,-.8041;-3.2902,.9684,1.2823;-1.2359,1.5439,1.5432;-3.7237,-.6025,-.489;-2.0231,-1.2247,-1.6362;-4.1883,.1913,.5555;-3.6441,1.5886,2.0973;-4.418,-1.2014,-1.0664;-5.2438,.2069,.7995;2.871,2.6193,-.069;3.999,3.013,-.794;2.4219,3.4331,.9763;4.6681,4.1892,-.4742;4.3439,2.4106,-1.6265;3.0897,4.6092,1.2937;1.5502,3.1311,1.5467;4.2172,4.9901,.5709;5.5382,4.4844,-1.0484;2.7328,5.227,2.1092;4.7391,5.9066,.8185;2.46,-1.6881,-1.6834; g16 Output=mterPh_rad_d.log nprocshared=20 mem=80GB chk=mterPh_rad_d #p nosymm gfprint gfinput scf(maxcyc=200,xqc) m062x/genecp scrf(CPCM,s 1/18=20,19=15,26=3,38=1,112=403150/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,24=110,25=1,30=1,70=2101,71=1,72=12,74=-55/1,2,3 4//1 5/5=2,7=200,8=3,13=1,38=5,53=12/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/18=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=2105,71=1,72=12,74=-55,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=200,8=3,13=1,38=5,53=12/2,8 7/30=1/1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 m-terphenyl 2-radical 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 12 12 12 12 12 12 1 1 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/software/gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 1 1 1 2 2 3 3 4 4 5 6 9 9 10 10 11 11 12 12 14 14 16 20 20 21 21 22 22 23 23 25 25 27 2 6 7 3 31 4 8 5 20 6 9 10 11 12 13 14 15 16 17 16 18 19 21 22 23 24 25 26 27 28 27 29 30 1.3737 1.4098 1.0845 1.3737 1.07 1.4097 1.0845 1.3807 1.4822 1.3806 1.4822 1.3988 1.3975 1.3892 1.0847 1.3904 1.0839 1.3924 1.0836 1.3917 1.0835 1.0834 1.3975 1.3988 1.3905 1.0839 1.3892 1.0847 1.3918 1.0835 1.3924 1.0836 1.0834 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 2 2 6 1 1 3 2 2 4 3 3 5 4 1 1 5 6 6 10 9 9 12 9 9 14 10 10 16 11 11 16 12 12 14 4 4 21 20 20 23 20 20 25 21 21 27 22 22 27 23 23 25 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 9 9 9 10 10 10 11 11 11 12 12 12 14 14 14 16 16 16 20 20 20 21 21 21 22 22 22 23 23 23 25 25 25 27 27 27 6 7 7 3 31 31 4 8 8 5 20 20 6 5 9 9 10 11 11 12 13 13 14 15 15 16 17 17 16 18 18 14 19 19 21 22 22 23 24 24 25 26 26 27 28 28 27 29 29 25 30 30 116.9875 121.8683 121.1249 127.0785 116.4607 116.4607 116.9798 121.8694 121.1309 115.3122 123.0 121.6872 128.3287 115.3035 122.967 121.729 119.9527 121.1744 118.8714 120.5902 119.2729 120.1334 120.5014 119.9149 119.5691 120.1505 119.7528 120.096 120.2318 119.6815 120.0845 119.653 120.1784 120.1682 121.2418 119.8827 118.8739 120.4903 119.9185 119.5766 120.5993 119.2742 120.1231 120.2383 119.6697 120.0899 120.144 119.7582 120.0971 119.6526 120.1586 120.1885 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 6 6 7 7 2 2 7 7 1 1 31 31 2 2 8 8 3 20 3 3 5 5 4 4 1 1 5 5 6 6 11 11 6 6 10 10 9 9 13 13 9 9 15 15 10 10 17 17 11 11 18 18 4 4 22 22 4 4 21 21 20 20 24 24 20 20 26 26 21 21 28 28 22 22 29 29 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 6 6 6 6 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 2 2 2 2 6 6 6 6 3 3 3 3 4 4 4 4 5 5 20 20 20 20 6 6 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 16 16 16 16 16 16 16 16 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 27 27 27 27 27 27 27 27 3 31 3 31 5 9 5 9 4 8 4 8 5 20 5 20 6 6 21 22 21 22 1 9 10 11 10 11 12 13 12 13 14 15 14 15 16 17 16 17 16 18 16 18 14 19 14 19 12 19 12 19 23 24 23 24 25 26 25 26 27 28 27 28 27 29 27 29 25 30 25 30 23 30 23 30 0.2313 -179.7687 -178.1869 1.8131 -0.6235 179.5982 177.8072 -1.9711 -0.2141 178.1812 179.7859 -1.8188 0.5911 -179.6715 -177.8169 1.9205 -1.1575 179.1013 28.2589 -152.1915 -152.0201 27.5295 1.1742 -179.0445 152.2002 -28.2488 -27.5642 151.9869 179.9221 -0.7627 0.3607 179.6759 179.9757 -1.4207 -0.4685 178.135 0.0009 179.7027 -179.3084 0.3933 0.2158 179.6791 -178.3926 1.0707 -0.2595 179.9418 -179.9602 0.2411 0.1518 179.9506 -179.3093 0.4894 -179.9908 1.4052 0.4551 -178.1489 -179.9096 0.7676 -0.3493 -179.6721 -0.2081 -179.6829 178.4006 -1.0742 -0.0045 -179.7053 179.3124 -0.3883 -0.1516 -179.9535 179.321 -0.4809 0.2572 -179.9409 179.9569 -0.2412 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Berny optimization. local minimum Step number 7 out of a maximum of 171 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00449 0.01002 0.01697 0.01738 0.01770 0.01924 0.02084 0.02125 0.02129 0.02158 0.02163 0.02172 0.02173 0.02193 0.02193 0.02194 0.02194 0.02203 0.02205 0.02207 0.02207 0.02213 0.02213 0.02234 0.02250 0.02384 0.02401 0.02446 0.15253 0.15984 0.15994 0.15996 0.15998 0.15999 0.15999 0.16000 0.16000 0.16000 0.16004 0.16030 0.16207 0.19066 0.21915 0.21999 0.22000 0.22004 0.23156 0.23453 0.23475 0.23829 0.24981 0.24999 0.25459 0.26317 0.34319 0.34681 0.35429 0.35433 0.35451 0.35525 0.35564 0.35568 0.35569 0.35571 0.35585 0.35587 0.35631 0.35771 0.39294 0.41228 0.42277 0.42283 0.42478 0.42812 0.44089 0.46153 0.46200 0.46465 0.46500 0.46924 0.47043 0.47353 0.47375 0.48273 0.48553 0.49903 0.50096 -2.27399215e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 2.62940 2.65385 2.04901 2.62944 2.04714 2.65384 2.04899 2.60488 2.80194 2.60476 2.80195 2.64363 2.64120 2.62544 2.04988 2.62777 2.04821 2.63124 2.04773 2.62996 2.04770 2.04736 2.64122 2.64356 2.62791 2.04825 2.62528 2.04983 2.62995 2.04771 2.63125 2.04771 2.04736 2.10169 2.09155 2.08963 2.11473 2.08406 2.08426 2.10158 2.09162 2.08967 2.01115 2.14796 2.12406 2.22599 2.01106 2.14726 2.12485 2.09419 2.11619 2.07278 2.10596 2.08090 2.09627 2.10414 2.09233 2.08647 2.09717 2.09001 2.09600 2.09878 2.08864 2.09573 2.08750 2.09792 2.09775 2.11752 2.09288 2.07276 2.10395 2.09244 2.08653 2.10618 2.08092 2.09602 2.09892 2.08846 2.09577 2.09704 2.09010 2.09603 2.08748 2.09758 2.09812 -0.00035 3.12336 -3.11503 0.00867 -0.00898 3.13712 3.10573 -0.03136 0.00043 3.11510 -3.12327 -0.00860 0.00883 -3.13782 -3.10587 0.03066 -0.02054 3.12603 0.50019 -2.65007 -2.64678 0.48615 0.02061 -3.12542 2.64713 -0.50294 -0.48968 2.64344 3.14114 -0.01227 0.00781 3.13759 3.14030 -0.02556 -0.00966 3.10766 -0.00063 3.13618 -3.13030 0.00650 0.00435 3.13608 -3.11306 0.01867 -0.00482 3.14087 3.14158 0.00408 0.00298 3.14047 -3.12871 0.00879 -3.14085 0.02503 0.00932 -3.10799 -3.14056 0.01252 -0.00742 -3.13752 -0.00427 -3.13614 3.11312 -0.01875 0.00044 -3.13639 3.13045 -0.00638 -0.00284 -3.14041 3.12899 -0.00858 0.00474 -3.14088 3.14155 -0.00407 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00002 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 0.00002 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00009 0.00008 0.00008 0.00007 0.00001 -0.00000 -0.00013 -0.00014 -0.00013 -0.00013 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00003 0.00001 0.00002 0.00004 -0.00002 0.00000 0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00002 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00001 -0.00002 -0.00001 -0.00004 -0.00005 -0.00005 -0.00006 0.00003 0.00001 -0.00003 -0.00004 -0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00002 0.00001 -0.00000 -0.00002 -0.00001 -0.00003 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00002 0.00004 -0.00002 -0.00001 0.00002 0.00001 -0.00003 0.00001 -0.00001 -0.00000 0.00002 -0.00000 -0.00002 0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00002 0.00001 0.00001 -0.00000 -0.00001 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00002 0.00002 -0.00001 0.00001 -0.00003 -0.00000 -0.00000 -0.00002 0.00000 -0.00002 0.00001 -0.00001 0.00003 0.00001 -0.00003 -0.00001 0.00005 0.00003 0.00003 0.00001 0.00003 0.00000 -0.00016 -0.00018 -0.00013 -0.00015 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 2.62941 2.65386 2.04901 2.62945 2.04715 2.65385 2.04899 2.60486 2.80193 2.60474 2.80195 2.64362 2.64121 2.62544 2.04988 2.62777 2.04821 2.63124 2.04773 2.62996 2.04770 2.04737 2.64122 2.64355 2.62791 2.04825 2.62528 2.04983 2.62995 2.04771 2.63125 2.04771 2.04736 2.10170 2.09156 2.08961 2.11472 2.08407 2.08426 2.10159 2.09162 2.08967 2.01113 2.14796 2.12408 2.22602 2.01104 2.14726 2.12487 2.09420 2.11616 2.07279 2.10595 2.08090 2.09628 2.10413 2.09231 2.08649 2.09717 2.09002 2.09599 2.09877 2.08865 2.09572 2.08751 2.09791 2.09775 2.11750 2.09289 2.07277 2.10395 2.09243 2.08655 2.10617 2.08092 2.09604 2.09891 2.08847 2.09576 2.09705 2.09011 2.09602 2.08748 2.09758 2.09811 -0.00035 3.12335 -3.11501 0.00869 -0.00899 3.13713 3.10570 -0.03136 0.00043 3.11508 -3.12327 -0.00862 0.00884 -3.13782 -3.10584 0.03068 -0.02057 3.12602 0.50024 -2.65004 -2.64675 0.48616 0.02064 -3.12541 2.64697 -0.50312 -0.48981 2.64329 3.14113 -0.01227 0.00782 3.13760 3.14032 -0.02555 -0.00967 3.10765 -0.00063 3.13617 -3.13031 0.00649 0.00435 3.13607 -3.11305 0.01867 -0.00483 3.14087 3.14157 0.00409 0.00298 3.14047 -3.12871 0.00878 -3.14086 0.02503 0.00932 -3.10798 -3.14055 0.01252 -0.00742 -3.13753 -0.00427 -3.13614 3.11311 -0.01875 0.00044 -3.13638 3.13045 -0.00637 -0.00284 -3.14040 3.12898 -0.00858 0.00475 -3.14088 3.14155 -0.00407 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000456 0.000116 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.638111e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 1 1 1 2 2 3 3 4 4 5 6 9 9 10 10 11 11 12 12 14 14 16 20 20 21 21 22 22 23 23 25 25 27 2 6 7 3 31 4 8 5 20 6 9 10 11 12 13 14 15 16 17 16 18 19 21 22 23 24 25 26 27 28 27 29 30 1.3914 1.4044 1.0843 1.3914 1.0833 1.4044 1.0843 1.3784 1.4827 1.3784 1.4827 1.3989 1.3977 1.3893 1.0847 1.3906 1.0839 1.3924 1.0836 1.3917 1.0836 1.0834 1.3977 1.3989 1.3906 1.0839 1.3892 1.0847 1.3917 1.0836 1.3924 1.0836 1.0834 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 2 2 6 1 1 3 2 2 4 3 3 5 4 1 1 5 6 6 10 9 9 12 9 9 14 10 10 16 11 11 16 12 12 14 4 4 21 20 20 23 20 20 25 21 21 27 22 22 27 23 23 25 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 9 9 9 10 10 10 11 11 11 12 12 12 14 14 14 16 16 16 20 20 20 21 21 21 22 22 22 23 23 23 25 25 25 27 27 27 6 7 7 3 31 31 4 8 8 5 20 20 6 5 9 9 10 11 11 12 13 13 14 15 15 16 17 17 16 18 18 14 19 19 21 22 22 23 24 24 25 26 26 27 28 28 27 29 29 25 30 30 120.4182 119.8372 119.7267 121.1653 119.4077 119.4192 120.4114 119.8412 119.7295 115.2306 123.069 121.6997 127.5395 115.2253 123.0292 121.745 119.9881 121.2486 118.7616 120.6624 119.2269 120.1072 120.5583 119.8816 119.5457 120.1588 119.7489 120.0917 120.2514 119.67 120.0762 119.6051 120.2021 120.1923 121.3248 119.913 118.7603 120.5476 119.8882 119.5496 120.6752 119.2282 120.0934 120.2593 119.6599 120.0785 120.1517 119.7541 120.0937 119.6037 120.1824 120.2135 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 6 6 7 7 2 2 7 7 1 1 31 31 2 2 8 8 3 20 3 3 5 5 4 4 1 1 5 5 6 6 11 11 6 6 10 10 9 9 13 13 9 9 15 15 10 10 17 17 11 11 18 18 4 4 22 22 4 4 21 21 20 20 24 24 20 20 26 26 21 21 28 28 22 22 29 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 6 6 6 6 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 2 2 2 2 6 6 6 6 3 3 3 3 4 4 4 4 5 5 20 20 20 20 6 6 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 16 16 16 16 16 16 16 16 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 27 27 27 27 27 27 27 3 31 3 31 5 9 5 9 4 8 4 8 5 20 5 20 6 6 21 22 21 22 1 9 10 11 10 11 12 13 12 13 14 15 14 15 16 17 16 17 16 18 16 18 14 19 14 19 12 19 12 19 23 24 23 24 25 26 25 26 27 28 27 28 27 29 27 29 25 30 25 30 23 30 23 -0.02 178.9551 -178.4782 0.497 -0.5144 179.7436 177.9454 -1.7966 0.0245 178.4822 -178.9505 -0.4928 0.506 -179.7837 -177.9534 1.7569 -1.1769 179.1084 28.6588 -151.8378 -151.6492 27.8542 1.1811 -179.0733 151.6692 -28.8163 -28.0563 151.4581 179.9742 -0.7028 0.4477 179.7708 179.9261 -1.4644 -0.5536 178.0559 -0.0361 179.6896 -179.3532 0.3725 0.2492 179.6839 -178.3649 1.0698 -0.2763 179.9585 179.999 0.2337 0.1705 179.9358 -179.2619 0.5034 -179.9572 1.4342 0.5339 -178.0747 -179.941 0.7172 -0.4249 -179.7668 -0.2447 -179.6874 178.3686 -1.0742 0.0252 -179.7017 179.3614 -0.3655 -0.1627 -179.9322 179.2777 -0.4917 0.2716 -179.959 179.9976 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) 7 8 13 15 17 18 19 24 26 28 29 30 31 1 2 3 4 5 6 9 10 11 12 14 16 20 21 22 23 25 27 6-311++G(d,p) 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 1 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 6 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 6 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 1 No pseudopotential on this center. 19 1 No pseudopotential on this center. 20 6 No pseudopotential on this center. 21 6 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 6 No pseudopotential on this center. 24 1 No pseudopotential on this center. 25 6 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 6 No pseudopotential on this center. 28 1 No pseudopotential on this center. 29 1 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 4336 DFT=T Ex+Corr=M062X ExCW=0 ScaHFX= 0.540000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 31 31 31 1.00e+00 60 F C-PCM UFF Total charges None On-the-fly selection Benzene 2.270600 2.253301 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 216.1925999999999 AuxInfo=1/0/N:1;2;3;4;5;6;9;10;11;12;14;16;20;21;22;23;25;27;7;8;13;15;17;18;19;24;26;28;29;30;31/rA:31nC0C0C0C0C0C0H0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.634,-.9704,-.9818;1.9779,-.8439,-1.2365;2.7703,.2486,-.9799;2.1452,1.3688,-.3954;.7966,1.2244,-.1371;-.0135,.1373,-.3976;.0949,-1.8873,-1.1937;3.8342,.2464,-1.1903;-1.4601,.148,-.075;-1.9368,.947,.9696;-2.3696,-.6228,-.8041;-3.2902,.9684,1.2823;-1.2359,1.5439,1.5432;-3.7237,-.6025,-.489;-2.0231,-1.2247,-1.6362;-4.1884,.1913,.5555;-3.6441,1.5886,2.0973;-4.418,-1.2014,-1.0664;-5.2438,.2069,.7995;2.871,2.6193,-.069;3.999,3.0129,-.7939;2.4219,3.4331,.9763;4.6681,4.1892,-.4742;4.3439,2.4106,-1.6265;3.0897,4.6092,1.2937;1.5502,3.1311,1.5467;4.2172,4.9901,.5709;5.5383,4.4843,-1.0484;2.7328,5.227,2.1092;4.7391,5.9067,.8185;2.46,-1.6881,-1.6834; 0.000000 1.373663 0.000000 2.459580 1.373735 0.000000 2.845997 2.373079 1.409691 0.000000 2.357415 2.623377 2.357510 1.380689 0.000000 1.409768 2.373181 2.846167 2.485321 1.380633 0.000000 1.084549 2.153215 3.430067 3.929832 3.360341 2.178152 0.000000 3.430060 2.153288 1.084545 2.178142 3.360455 3.930001 4.305245 0.000000 2.541351 3.762030 4.327237 3.819890 2.501092 1.482202 2.794994 5.411401 0.000000 3.754092 4.837231 5.142433 4.324833 2.961987 2.494794 4.103719 6.201635 1.398822 0.000000 3.028894 4.374571 5.216195 4.951532 3.725926 2.508853 2.797235 6.276316 1.397485 2.407786 0.000000 4.927941 6.114067 6.508848 5.702566 4.333891 3.774905 5.073894 7.575775 2.421691 1.389247 2.780721 0.000000 4.024109 4.874033 4.908425 3.901350 2.656375 2.690623 4.586308 5.904299 2.148775 1.084736 3.389640 2.149348 0.000000 4.400901 5.755474 6.567885 6.191902 4.888285 3.784374 4.090104 7.637708 2.420467 2.778764 1.390410 2.406920 3.863469 0.000000 2.748252 4.038861 5.057374 5.063642 4.024461 2.725323 2.262876 6.055593 2.153752 3.393194 1.083901 3.864341 4.288739 2.143707 0.000000 5.193044 6.504250 7.126201 6.511909 5.137805 4.282606 5.072086 8.210472 2.800465 2.410804 2.412229 1.392403 3.394448 1.391749 3.390727 0.000000 5.859277 6.974065 7.239356 6.306969 4.984462 4.638112 6.073885 8.278533 3.400563 2.144337 3.864273 1.083561 2.471537 3.390649 4.947888 2.150819 0.000000 5.057962 6.408117 7.333526 7.080400 5.825856 4.651756 4.566456 8.379127 3.398942 3.862257 2.144598 3.390622 4.946970 1.083529 2.461891 2.150082 4.288626 0.000000 6.253607 7.576433 8.209318 7.574655 6.196706 5.366004 6.071250 9.293580 3.883868 3.393027 3.394237 2.151561 4.289971 2.150864 4.284354 1.083403 2.480380 2.479364 0.000000 4.327035 3.762206 2.541678 1.482200 2.500630 3.819505 5.411198 2.795662 4.986546 5.195209 6.206100 6.520126 4.541130 7.351645 6.417460 7.491282 6.942704 8.289843 8.510184 0.000000 5.217823 4.376741 3.030866 2.509672 3.726307 4.952442 6.278094 2.799675 6.206980 6.527794 7.333370 7.850083 5.918120 8.532584 7.411601 8.764430 8.294854 9.417026 9.789883 1.397474 0.000000 5.140235 4.835957 3.753584 2.493888 2.959639 4.322229 6.199279 4.104137 5.193023 5.017937 6.525300 6.228754 4.155738 7.496848 6.948256 7.374443 6.438583 8.510929 8.318815 1.398793 2.407782 0.000000 6.569090 5.757603 4.402938 3.784894 4.887887 6.192014 7.639087 4.093150 7.351543 7.498067 8.531922 8.763187 6.776725 9.663496 8.685128 9.771371 9.081162 10.581385 10.757589 2.420392 1.390489 2.778598 0.000000 5.060686 4.042522 2.751175 2.726749 4.025990 5.066089 6.059198 2.265855 6.419755 6.951931 7.412815 8.295855 6.475494 8.686751 7.331685 9.082170 8.851570 9.493739 10.132410 2.153797 1.083923 3.393226 2.143875 0.000000 6.506969 6.113466 4.928147 3.774298 4.331502 5.699883 7.573698 5.075339 6.517384 6.227572 7.847230 7.345669 5.307431 8.761438 8.292096 8.545914 7.423821 9.782556 9.437725 2.421717 2.780897 1.389180 2.406928 3.864541 0.000000 4.904616 4.871327 4.022608 2.689161 2.652992 3.897262 5.900189 4.585804 4.537698 4.154835 5.914659 5.308185 3.206456 6.774832 6.470861 6.523482 5.446343 7.824200 7.434173 2.148736 3.389607 1.084703 3.863270 4.288749 2.149151 0.000000 7.125853 6.505108 5.194283 4.282567 5.136299 6.510504 8.210109 5.074573 7.489641 7.374113 8.762516 8.546435 6.523615 9.770313 9.079395 9.678940 8.700547 10.750893 10.603815 2.800443 2.412379 2.410678 1.391752 3.390919 1.392415 3.394252 0.000000 7.335571 6.411055 5.060464 4.652474 5.825841 7.081137 8.381498 4.569943 8.290260 8.512451 9.416875 9.784484 7.826321 10.581748 9.492719 10.752182 10.128961 11.465365 11.745780 3.398818 2.144543 3.862092 1.083530 2.461910 3.390670 4.946773 2.150143 0.000000 7.236517 6.972761 5.859082 4.637235 4.981459 6.303304 8.275328 6.075080 6.938816 6.436022 8.291093 7.422666 5.443879 9.078573 8.847054 8.699098 7.341802 10.126314 9.515329 3.400591 3.864441 2.144329 3.390658 4.948081 1.083554 2.471370 2.150836 4.288694 0.000000 8.208946 7.577396 6.254946 5.365961 6.195083 7.573091 9.293187 6.073944 8.508244 8.317978 9.787775 9.437757 7.433635 10.756300 10.129553 10.603463 9.516202 11.744318 11.495412 3.883842 3.394301 3.392981 2.150762 4.284439 2.151674 4.289871 1.083399 2.479297 2.480569 0.000000 2.083676 1.070000 2.083740 3.332105 3.693376 3.332192 2.423508 2.423597 4.617986 5.771830 5.023304 6.994122 5.875038 6.390911 4.507210 7.262605 7.892422 6.922742 8.312928 4.618326 5.025900 5.770847 6.393785 4.511326 6.994021 5.872521 7.264166 6.926632 7.891604 8.314704 0.000000 0.9395499 0.2127421 0.1772989 -10.55612 -10.55609 -10.55076 -10.55074 -10.54980 -10.54978 -10.54963 -10.54962 -10.54901 -10.54899 -10.54831 -10.54830 -10.54511 -0.99745 -0.97549 -0.96189 -0.89825 -0.87604 -0.85203 -0.85152 -0.83053 -0.82450 -0.73021 -0.71778 -0.69624 -0.69567 -0.66307 -0.66008 -0.61945 -0.59592 -0.56982 -0.55497 -0.55061 -0.53173 -0.52509 -0.50769 -0.50300 -0.49959 -0.49547 -0.49268 -0.47714 -0.45348 -0.45107 -0.44796 -0.43632 -0.41560 -0.41011 -0.40964 -0.40361 -0.35612 -0.34123 -0.31843 -0.31569 -0.30845 -0.29667 -0.28075 -0.02729 -0.01327 -0.00354 0.00321 0.00544 0.01076 0.01348 0.01416 0.01661 0.02769 0.02924 0.03168 0.03846 0.04324 0.04727 0.04992 0.05087 0.05352 0.06299 0.06589 0.07224 0.07687 0.08236 0.08902 0.09243 0.10496 0.10683 0.10823 0.11104 0.11317 0.11753 0.12074 0.12465 0.12488 0.12858 0.13125 0.13170 0.13553 0.13814 0.13896 0.14207 0.14586 0.14634 0.14825 0.15134 0.15560 0.15726 0.15743 0.16275 0.16857 0.17132 0.17146 0.17878 0.18737 0.18925 0.19068 0.19243 0.19550 0.19689 0.19931 0.20639 0.20910 0.21188 0.21264 0.21704 0.22222 0.22234 0.23307 0.23398 0.23691 0.24130 0.24247 0.24496 0.25363 0.25548 0.25558 0.25786 0.26002 0.26704 0.27298 0.27440 0.27467 0.29094 0.29166 0.29484 0.30164 0.30583 0.30691 0.30936 0.31069 0.31574 0.31783 0.32500 0.32635 0.32732 0.32961 0.33353 0.34406 0.34791 0.35452 0.35878 0.36681 0.37288 0.37450 0.37624 0.37713 0.38463 0.39252 0.40315 0.40959 0.41765 0.41848 0.44053 0.47011 0.47778 0.52016 0.53076 0.53770 0.53948 0.54893 0.56437 0.56639 0.57316 0.57933 0.58329 0.58599 0.58709 0.60033 0.60386 0.60755 0.60907 0.60956 0.61202 0.61625 0.61905 0.62583 0.62586 0.64254 0.65258 0.65723 0.66106 0.66599 0.66942 0.68482 0.68681 0.68988 0.69166 0.70143 0.70782 0.70842 0.72072 0.72573 0.73196 0.74362 0.74534 0.76005 0.76156 0.76373 0.76574 0.77455 0.78141 0.78210 0.79788 0.80514 0.81260 0.82339 0.82726 0.83243 0.83574 0.84740 0.86120 0.86533 0.87988 0.88290 0.88913 0.88944 0.89191 0.89991 0.90623 0.90879 0.91504 0.92139 0.92651 0.94436 0.94793 0.95650 0.95837 0.96562 0.96676 0.97287 0.99184 0.99862 1.00043 1.00513 1.02171 1.02452 1.02701 1.03168 1.07050 1.07360 1.08964 1.09077 1.09166 1.09956 1.11582 1.13675 1.13945 1.14763 1.16210 1.16585 1.17141 1.18758 1.18803 1.19857 1.20136 1.25202 1.27145 1.28100 1.29766 1.32859 1.35321 1.36075 1.40048 1.49636 1.50315 1.52001 1.52460 1.53272 1.53826 1.54552 1.55524 1.56448 1.56458 1.58536 1.59156 1.59649 1.60010 1.61158 1.61482 1.61552 1.62054 1.64258 1.64593 1.65213 1.67347 1.67354 1.68863 1.69129 1.69903 1.70163 1.73217 1.73444 1.74257 1.75385 1.76654 1.77392 1.78234 1.79224 1.79920 1.81163 1.81848 1.84823 1.85490 1.86657 1.87833 1.88511 1.90243 1.91041 1.91810 1.94270 1.94645 1.95899 1.96247 1.96501 1.97883 1.98157 1.98209 1.98674 1.99669 1.99713 2.01036 2.01836 2.01998 2.04217 2.05187 2.05683 2.06560 2.06977 2.07552 2.10492 2.10747 2.11044 2.11401 2.11837 2.14850 2.17943 2.26304 2.26552 2.29227 2.30568 2.34132 2.34875 2.38048 2.38250 2.39525 2.42235 2.45249 2.45648 2.47587 2.47970 2.48865 2.50951 2.51890 2.52489 2.54245 2.55678 2.57993 2.65329 2.65451 2.67808 2.68707 2.71052 2.71587 2.71929 2.72684 2.72815 2.73229 2.73573 2.74803 2.74827 2.75224 2.75702 2.75846 2.76115 2.78418 2.79358 2.79629 2.80805 2.81265 2.82147 2.83233 2.84560 2.85381 2.86595 2.87043 2.87482 2.90306 2.91052 2.92845 2.95503 2.95969 2.97273 2.97679 2.98414 2.99164 3.00519 3.01017 3.02890 3.06790 3.10761 3.14727 3.15546 3.15651 3.18485 3.26358 3.27299 3.27706 3.29738 3.32000 3.42053 3.43081 3.44086 3.44174 3.44448 3.48085 3.55701 3.56297 3.58209 3.59862 3.61181 3.63061 3.66164 3.69263 3.69279 3.75623 3.82981 3.99908 4.04839 4.04933 4.08604 4.08825 4.10259 4.16034 4.19410 4.20402 4.20507 4.21670 4.48399 4.64226 4.81834 4.86573 4.88040 23.59553 23.75513 23.78450 23.99400 24.03491 24.04164 24.05000 24.05053 24.06960 24.13921 24.14566 24.15907 24.18098 24.18186 24.20103 24.27035 24.27245 24.29595 -10.57013 -10.57008 -10.56501 -10.56302 -10.56300 -10.55542 -10.55540 -10.55082 -10.55079 -10.54978 -10.54976 -10.54960 -10.54960 -10.54899 -10.54897 -10.54832 -10.54832 -10.54536 -0.99102 -0.97508 -0.95977 -0.89622 -0.87205 -0.85163 -0.85142 -0.82287 -0.81976 -0.72734 -0.71176 -0.69545 -0.69520 -0.65795 -0.65531 -0.61443 -0.59470 -0.56437 -0.55097 -0.54608 -0.53070 -0.52448 -0.50643 -0.50106 -0.49603 -0.49477 -0.49222 -0.47214 -0.45091 -0.44513 -0.44463 -0.43426 -0.41378 -0.40911 -0.40453 -0.40195 -0.35655 -0.33699 -0.31623 -0.31579 -0.28554 -0.28034 -0.04725 -0.02743 -0.00576 -0.00322 0.00326 0.00630 0.01171 0.01347 0.01431 0.01669 0.02868 0.02929 0.03266 0.03873 0.04339 0.04990 0.05072 0.05096 0.05349 0.06293 0.06298 0.07052 0.07689 0.08184 0.08927 0.09232 0.10357 0.10686 0.10816 0.11095 0.11223 0.11751 0.12082 0.12466 0.12467 0.12832 0.13053 0.13177 0.13592 0.13812 0.13883 0.14235 0.14584 0.14610 0.14847 0.15015 0.15295 0.15705 0.15743 0.16276 0.16874 0.17141 0.17182 0.17833 0.18826 0.18892 0.19113 0.19251 0.19545 0.19666 0.19963 0.20640 0.20727 0.21108 0.21278 0.21630 0.22138 0.22236 0.23271 0.23326 0.23846 0.24145 0.24405 0.24509 0.25219 0.25514 0.25545 0.25671 0.25924 0.26710 0.26927 0.27399 0.27472 0.29031 0.29586 0.29602 0.30256 0.30689 0.30714 0.30866 0.30984 0.31484 0.31792 0.32347 0.32529 0.32735 0.32859 0.33426 0.34436 0.34920 0.35269 0.35816 0.36825 0.37342 0.37560 0.37648 0.38099 0.38506 0.39318 0.40306 0.40798 0.41817 0.41884 0.44593 0.47076 0.47893 0.51757 0.52770 0.53890 0.54196 0.55178 0.56628 0.56788 0.57198 0.57866 0.58397 0.58677 0.58716 0.59941 0.60423 0.60858 0.60924 0.60996 0.61395 0.61600 0.61989 0.62621 0.62799 0.64188 0.65371 0.65800 0.66177 0.66692 0.67230 0.68390 0.69025 0.69079 0.69241 0.70104 0.71021 0.71274 0.71983 0.72428 0.73240 0.74381 0.74786 0.76032 0.76089 0.76399 0.76584 0.77466 0.78208 0.78246 0.79596 0.80572 0.81299 0.82375 0.83150 0.83294 0.83668 0.84725 0.86247 0.86549 0.88023 0.88481 0.88884 0.88975 0.89185 0.89951 0.90662 0.90857 0.91658 0.92268 0.92751 0.94420 0.94886 0.95411 0.95814 0.96671 0.96700 0.97298 0.99221 0.99949 1.00576 1.00667 1.02097 1.02226 1.02707 1.03945 1.07047 1.07462 1.08978 1.09107 1.09159 1.10069 1.11503 1.13730 1.14005 1.14914 1.16330 1.16639 1.17182 1.18843 1.18987 1.19958 1.20343 1.25053 1.27355 1.29420 1.29895 1.32889 1.35453 1.36077 1.40418 1.49920 1.50800 1.52274 1.52881 1.53645 1.53924 1.54648 1.55549 1.56476 1.56555 1.59151 1.59234 1.59808 1.60064 1.61173 1.61520 1.61589 1.62140 1.64352 1.64951 1.65620 1.67603 1.68092 1.69208 1.69213 1.69937 1.70424 1.73281 1.73740 1.74651 1.75444 1.76713 1.77510 1.78729 1.79302 1.80027 1.81182 1.81919 1.84895 1.85851 1.86794 1.87920 1.88923 1.90337 1.91107 1.92134 1.94405 1.94682 1.96125 1.96379 1.96550 1.98091 1.98267 1.98359 1.98691 1.99731 1.99959 2.01070 2.01966 2.02161 2.04232 2.05509 2.05741 2.06623 2.07066 2.07586 2.10813 2.11073 2.11080 2.11512 2.12000 2.15096 2.18008 2.26351 2.26569 2.29676 2.30968 2.34615 2.35060 2.38059 2.38401 2.39986 2.42371 2.45345 2.45934 2.47654 2.48038 2.49058 2.50921 2.51902 2.52501 2.54261 2.55842 2.58290 2.65334 2.65468 2.67883 2.68728 2.71358 2.71969 2.72150 2.72755 2.72818 2.73237 2.73628 2.74836 2.74898 2.75370 2.75836 2.76005 2.76129 2.78476 2.79342 2.79659 2.80840 2.81360 2.82456 2.83241 2.84621 2.85354 2.86600 2.87035 2.87490 2.90400 2.91271 2.92860 2.95584 2.96269 2.97405 2.97812 2.98576 2.99189 3.00514 3.01292 3.02913 3.06732 3.10820 3.14724 3.15571 3.16333 3.20314 3.26434 3.27334 3.27764 3.29829 3.32370 3.42146 3.43114 3.44117 3.44191 3.44752 3.48280 3.55746 3.56327 3.58430 3.59862 3.61289 3.63259 3.66249 3.69458 3.69514 3.75892 3.83252 4.00131 4.04853 4.04975 4.08589 4.08815 4.10293 4.16154 4.19434 4.20410 4.20534 4.21673 4.48264 4.64363 4.82001 4.86583 4.88140 23.59673 23.75510 23.78528 23.99597 24.03487 24.04188 24.04999 24.05051 24.06957 24.13937 24.14630 24.15906 24.18098 24.18184 24.20677 24.27035 24.27243 24.29612 0.2437 -0.4271 -0.2217 0.5394 -90.4303 -98.4521 -103.3867 5.5048 -5.8283 9.6708 6.9927 -1.0290 -5.9637 5.5048 -5.8283 9.6708 -216.3360 -403.6546 26.2633 -31.2163 -116.2725 -19.6985 -74.6862 -140.0184 28.5678 -11.9463 -5071.2679 -3470.0504 -609.5314 -1244.1565 -45.9993 -1208.2581 -69.4310 153.5778 -208.7525 -1313.2357 -998.6707 -671.3062 -79.6944 85.7787 -492.2182 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 216.1925999999999 AuxInfo=1/0/N:1;2;3;4;5;6;9;10;11;12;14;16;20;21;22;23;25;27;7;8;13;15;17;18;19;24;26;28;29;30;31/rA:31nC0C0C0C0C0C0H0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6405,-.9462,-.9713;2.002,-.8863,-1.2522;2.7461,.2549,-.9691;2.1332,1.3776,-.3893;.7863,1.2426,-.1287;-.0149,.1523,-.3916;.0865,-1.855,-1.1779;3.8107,.2694,-1.1742;-1.4631,.1535,-.0734;-1.9476,.9408,.9767;-2.3683,-.6139,-.8116;-3.3018,.953,1.2867;-1.2511,1.5365,1.557;-3.7234,-.6032,-.4997;-2.0173,-1.2059,-1.6489;-4.1948,.1783,.551;-3.6603,1.5644,2.1063;-4.4133,-1.1997,-1.0848;-5.2509,.1868,.7926;2.8679,2.6246,-.0676;3.9929,3.0145,-.7996;2.4306,3.4413,.9806;4.6704,4.1871,-.4833;4.3291,2.4118,-1.6353;3.1063,4.6137,1.2949;1.5606,3.144,1.5561;4.2312,4.9897,.5654;5.538,4.4783,-1.0635;2.7574,5.2327,2.113;4.7593,5.9035,.8101;2.4945,-1.7492,-1.6837; 0.000000 1.391418 0.000000 2.424048 1.391438 0.000000 2.822474 2.426237 1.404353 0.000000 2.349916 2.696714 2.350030 1.378442 0.000000 1.404359 2.426307 2.822609 2.472940 1.378381 0.000000 1.084288 2.147788 3.401293 3.906453 3.344595 2.158249 0.000000 3.401312 2.147842 1.084281 2.158268 3.344710 3.906585 4.287533 0.000000 2.537850 3.804906 4.304618 3.811956 2.499808 1.482731 2.766891 5.388691 0.000000 3.748762 4.889235 5.127075 4.325392 2.964292 2.495809 4.073871 6.183402 1.398948 0.000000 3.031317 4.400862 5.190061 4.940403 3.723575 2.510384 2.775018 6.252360 1.397662 2.406682 0.000000 4.924105 6.161036 6.492521 5.703337 4.335883 3.776420 5.043784 7.557160 2.422735 1.389321 2.780159 0.000000 4.016748 4.933966 4.899153 3.907299 2.660661 2.690990 4.557613 5.889575 2.148404 1.084749 3.388629 2.149148 0.000000 4.402683 5.781524 6.542992 6.183416 4.886945 3.786192 4.067245 7.614388 2.421434 2.777941 1.390557 2.406298 3.862665 0.000000 2.755090 4.051416 5.028508 5.048490 4.020819 2.726747 2.251461 6.030554 2.153525 3.392191 1.083864 3.863727 4.287880 2.143557 0.000000 5.192510 6.541013 7.105829 6.508897 5.138734 4.284957 5.045143 8.189804 2.802292 2.410961 2.412564 1.392393 3.394408 1.391716 3.390777 0.000000 5.854184 7.024699 7.225989 6.310893 4.987103 4.639241 6.042962 8.261625 3.401368 2.144402 3.863758 1.083610 2.471147 3.390209 4.947319 2.150805 0.000000 5.061391 6.425050 7.306534 7.069767 5.823662 4.653382 4.548182 8.354630 3.399689 3.861498 2.144663 3.390175 4.946230 1.083598 2.461478 2.150021 4.288433 0.000000 6.253294 7.611621 8.189045 7.572298 6.197747 5.368371 6.044834 9.272976 3.885710 3.393334 3.394693 2.151815 4.290053 2.151101 4.284483 1.083419 2.480719 2.479632 0.000000 4.304446 3.805158 2.538315 1.482721 2.499302 3.811536 5.388521 2.767714 4.986344 5.207158 6.201576 6.534047 4.559593 7.351896 6.406145 7.499942 6.961864 8.287064 8.520478 0.000000 5.191855 4.402855 3.032986 2.511322 3.724517 4.941812 6.254285 2.776568 6.203281 6.537955 7.323332 7.862284 5.936182 8.527560 7.393006 8.769685 8.313784 9.407717 9.796944 1.397671 0.000000 5.124846 4.888432 3.748872 2.494827 2.961112 4.322143 6.181035 4.075351 5.203937 5.041915 6.533483 6.256678 4.185179 7.511363 6.949451 7.397831 6.472187 8.523108 8.344665 1.398913 2.406644 0.000000 6.544335 5.783650 4.404662 3.786792 4.886870 6.183838 7.615891 4.069954 7.352351 7.514469 8.526483 8.783405 6.800946 9.664500 8.669986 9.784279 9.109615 10.577915 10.773264 2.421380 1.390633 2.777720 0.000000 5.032143 4.054570 2.757153 2.728421 4.023456 5.051976 6.034451 2.251928 6.410055 6.955781 7.395188 8.300417 6.488159 8.673083 7.305129 9.078862 8.862766 9.474961 10.130277 2.153622 1.083886 3.392223 2.143685 0.000000 6.490625 6.160937 4.924933 3.775772 4.332799 5.700059 7.555075 5.046337 6.530306 6.255681 7.857311 7.380068 5.340927 8.779609 8.293730 8.575141 7.466200 9.798126 9.470702 2.422788 2.780328 1.389240 2.406278 3.863920 0.000000 4.895267 4.931974 4.016123 2.689415 2.655758 3.902040 5.885423 4.558604 4.554160 4.182908 5.929928 5.340010 3.238766 6.796141 6.480361 6.552085 5.482257 7.844026 7.464889 2.148364 3.388582 1.084721 3.862417 4.287927 2.148906 0.000000 7.105550 6.542179 5.194105 4.284951 5.137043 6.507341 8.189510 5.048186 7.498069 7.398621 8.766413 8.576782 6.554659 9.782112 9.073729 9.702939 8.739709 10.759103 10.631565 2.802312 2.412721 2.410807 1.391711 3.390946 1.392396 3.394168 0.000000 7.308790 6.427873 5.063659 4.654230 5.824224 7.071073 8.357195 4.550878 8.288467 8.526990 9.407628 9.802702 7.849415 10.578851 9.472871 10.762146 10.156130 11.457190 11.758521 3.399599 2.144625 3.861279 1.083600 2.461464 3.390179 4.945983 2.150042 0.000000 7.223068 7.024041 5.854773 4.638279 4.983069 6.306302 8.258351 6.045606 6.956352 6.469058 8.307203 7.464132 5.480839 9.104092 8.854722 8.736156 7.392140 10.149915 9.557138 3.401410 3.863920 2.144380 3.390201 4.947505 1.083604 2.470907 2.150823 4.288463 0.000000 8.188743 7.612933 6.255022 5.368361 6.195910 7.570549 9.272651 6.048148 8.518239 8.344944 9.793331 9.471860 7.466843 10.770704 10.124862 10.631131 9.560209 11.755078 11.527617 3.885728 3.394758 3.393272 2.150990 4.284524 2.151936 4.289917 1.083416 2.479501 2.480936 0.000000 2.142390 1.083300 2.142531 3.403351 3.779859 3.403320 2.462830 2.463101 4.677215 5.834884 5.069191 7.051401 5.943755 6.432558 4.544544 7.311401 7.951485 6.955434 8.358945 4.677771 5.071537 5.834729 6.435468 4.547759 7.052203 5.942419 7.313535 6.959124 7.951835 8.361368 0.000000 0.9386897 0.2121671 0.1769757 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 502 502 502 502 502 MxSgAt= 31 MxSgA2= 31. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 502 502 502 502 502 MxSgAt= 31 MxSgA2= 31. 1 0.7635 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 C C C C C C H H C C C C H C H C H H H C C C C H C H C H H H H 13 13 13 13 13 13 1 1 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 1 0.03789 -0.00490 0.03783 0.00330 0.41465 0.00338 0.00346 0.00345 0.02229 0.00139 -0.00248 0.00065 0.00038 0.00121 0.00022 -0.00030 0.00012 -0.00007 0.00013 0.02227 -0.00248 0.00144 0.00121 0.00022 0.00065 0.00039 -0.00029 -0.00007 0.00012 0.00013 0.00074 42.59549 -5.50692 42.53340 3.71422 466.15129 3.79702 15.44712 15.43275 25.05616 1.56715 -2.78858 0.72677 1.71900 1.35545 0.96523 -0.33730 0.51942 -0.29498 0.59382 25.03494 -2.78948 1.62307 1.35764 0.96730 0.72710 1.72223 -0.33135 -0.29606 0.52259 0.59446 3.30835 15.19913 -1.96501 15.17698 1.32532 166.33437 1.35487 5.51192 5.50679 8.94066 0.55920 -0.99503 0.25933 0.61338 0.48366 0.34442 -0.12036 0.18534 -0.10526 0.21189 8.93309 -0.99536 0.57915 0.48444 0.34515 0.25945 0.61453 -0.11823 -0.10564 0.18647 0.21212 1.18050 14.20833 -1.83691 14.18762 1.23893 155.49133 1.26655 5.15260 5.14781 8.35784 0.52275 -0.93017 0.24243 0.57340 0.45213 0.32196 -0.11251 0.17326 -0.09840 0.19808 8.35076 -0.93047 0.54140 0.45286 0.32265 0.24253 0.57447 -0.11053 -0.09875 0.17432 0.19829 1.10355 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 -0.025415 0.017157 -0.012073 0.098387 -0.245469 0.008290 -0.002912 0.008279 0.020764 0.010397 0.007053 0.002107 0.009976 0.000360 0.001368 0.005770 0.001834 0.000899 0.000769 0.014681 0.001617 0.010264 0.000854 0.002754 -0.000615 -0.003687 0.000504 0.000968 -0.000686 0.000312 0.001047 0.024119 0.017666 0.010700 -0.022387 0.421165 0.067705 0.006936 -0.004250 -0.007058 -0.004821 -0.004324 -0.001332 -0.010754 0.000844 0.000036 -0.003935 -0.001253 -0.000193 -0.000397 -0.001065 0.001137 -0.004636 0.000355 -0.001339 0.001385 0.002828 0.001340 -0.000259 0.001258 0.000061 0.001035 0.001296 -0.034823 0.001373 -0.076000 -0.175696 -0.075994 -0.004024 -0.004029 -0.013706 -0.005576 -0.002729 -0.000775 0.000777 -0.001204 -0.001403 -0.001836 -0.000581 -0.000706 -0.000372 -0.013615 -0.002754 -0.005628 -0.001209 -0.001415 -0.000769 0.000859 -0.001844 -0.000710 -0.000572 -0.000372 -0.002083 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 -0.026710 -0.000478 -0.034521 -0.000697 -0.564455 0.052464 0.004435 -0.002173 0.016659 0.012593 0.003387 -0.000172 0.001989 0.000164 0.002703 0.002183 -0.000256 0.001001 0.000465 0.020183 0.006620 0.012798 -0.000132 0.001892 0.001426 0.010045 0.005307 0.000965 0.001224 0.000737 0.000006 -0.006449 -0.015375 -0.013852 -0.049354 -0.241014 -0.001308 0.001020 -0.003604 -0.009344 -0.002849 0.001298 -0.000842 -0.013604 0.001640 0.001964 -0.000729 -0.001812 0.000595 -0.000082 0.011673 -0.006818 -0.007079 0.001448 -0.002146 0.002805 0.006729 -0.004521 -0.000486 0.000816 -0.000138 -0.000980 0.019822 0.027015 0.015629 0.030937 0.421873 0.058448 0.003606 0.000955 -0.007913 0.009934 0.007174 -0.002756 0.000254 -0.002642 0.001351 0.005696 0.000126 0.000220 0.000213 0.004104 0.002553 0.007519 -0.002759 -0.000998 -0.000672 0.011912 0.003535 -0.000398 0.001636 0.000182 0.001721 0.9076 0.4153 -0.0618 0.2281 -0.364 0.903 -0.3526 0.8337 0.4251 -0.0372 -0.0083 0.0455 -4.992 -1.117 6.108 -1.781 -0.398 2.18 -1.665 -0.372 2.038 1 C 13 0.2076 -0.3651 0.9075 0.8685 0.4958 8.0E-4 -0.4502 0.788 0.42 -0.0492 0.0169 0.0323 -6.603 2.264 4.34 -2.356 0.808 1.548 -2.203 0.755 1.448 2 C 13 0.8191 0.5701 0.0632 0.1973 -0.3836 0.9022 -0.5386 0.7265 0.4267 -0.0372 -0.0083 0.0455 -4.988 -1.114 6.102 -1.78 -0.397 2.177 -1.664 -0.372 2.035 3 C 13 0.2239 -0.3576 0.9066 0.1538 0.9316 0.3295 0.9624 -0.0657 -0.2635 -0.1004 -0.0116 0.1119 -13.471 -1.551 15.022 -4.807 -0.554 5.36 -4.493 -0.517 5.011 4 C 13 0.8686 0.4955 8.0E-4 0.1953 -0.3439 0.9185 -0.4554 0.7976 0.3955 -0.5677 -0.3849 0.9526 -76.176 -51.652 127.829 -27.182 -18.431 45.613 -25.41 -17.229 42.639 5 C 13 0.1919 -0.3751 0.9069 0.8809 -0.3415 -0.3276 0.4326 0.8618 0.2649 -0.1004 -0.0116 0.112 -13.479 -1.551 15.03 -4.81 -0.554 5.363 -4.496 -0.517 5.014 6 C 13 0.3631 -0.3843 0.8488 0.8675 -0.1929 -0.4585 0.3399 0.9028 0.2633 -0.0052 -0.0044 0.0097 -2.785 -2.367 5.152 -0.994 -0.845 1.839 -0.929 -0.79 1.719 7 H 1 0.1435 -0.5127 0.8465 0.2753 0.8423 0.4634 0.9506 -0.1665 -0.262 -0.0052 -0.0044 0.0097 -2.784 -2.366 5.15 -0.993 -0.844 1.838 -0.929 -0.789 1.718 8 H 1 -0.0759 0.6197 0.7812 -0.4894 0.6594 -0.5706 0.8687 0.4256 -0.2532 -0.0191 -0.0126 0.0317 -2.56 -1.688 4.247 -0.913 -0.602 1.515 -0.854 -0.563 1.417 9 C 13 -0.3613 0.7192 -0.5935 -0.3959 0.458 0.7959 0.8442 0.5226 0.1193 -0.0193 0.0016 0.0178 -2.596 0.209 2.387 -0.926 0.075 0.852 -0.866 0.07 0.796 10 C 13 -0.0957 0.7557 -0.6479 -0.5062 0.5235 0.6853 0.8571 0.3936 0.3324 -0.0109 0.0018 0.0091 -1.463 0.241 1.223 -0.522 0.086 0.436 -0.488 0.08 0.408 11 C 13 0.1153 0.7298 0.6739 -0.5334 0.6178 -0.5778 0.838 0.2928 -0.4605 -0.0039 0.0014 0.0025 -0.524 0.187 0.337 -0.187 0.067 0.12 -0.175 0.062 0.112 12 C 13 -0.3073 0.882 -0.3574 0.4947 0.4689 0.7317 0.8129 0.0481 -0.5804 -0.0115 -0.0083 0.0198 -6.162 -4.406 10.568 -2.199 -1.572 3.771 -2.056 -1.47 3.525 13 H 1 -0.3536 0.4908 0.7963 0.8737 0.4774 0.0937 -0.3342 0.7288 -0.5976 -0.0036 6.0E-4 0.0029 -0.478 0.084 0.394 -0.171 0.03 0.141 -0.159 0.028 0.131 14 C 13 -0.5021 0.0788 0.8612 -0.4565 0.8216 -0.3414 0.7345 0.5646 0.3766 -0.0024 -0.002 0.0045 -1.294 -1.082 2.375 -0.462 -0.386 0.848 -0.432 -0.361 0.792 15 H 1 -0.1443 0.7669 -0.6253 -0.2342 0.5875 0.7746 0.9614 0.2583 0.0948 -0.009 0.0027 0.0063 -1.206 0.363 0.843 -0.43 0.13 0.301 -0.402 0.121 0.281 16 C 13 0.4737 0.0344 0.88 0.0453 0.997 -0.0634 0.8795 -0.0698 -0.4707 -0.0016 -0.0013 0.0028 -0.828 -0.679 1.507 -0.295 -0.242 0.538 -0.276 -0.226 0.503 17 H 1 -0.4666 0.3879 0.7949 -0.2848 0.7849 -0.5502 0.8374 0.4831 0.2558 -9.0E-4 -7.0E-4 0.0017 -0.506 -0.379 0.885 -0.18 -0.135 0.316 -0.169 -0.126 0.295 18 H 1 -0.2769 0.7837 -0.5559 -0.1786 0.5265 0.8312 0.9442 0.3295 -0.0058 -7.0E-4 -2.0E-4 9.0E-4 -0.38 -0.117 0.497 -0.136 -0.042 0.177 -0.127 -0.039 0.166 19 H 1 -0.4971 0.3797 0.7802 -0.3166 0.7578 -0.5706 0.8079 0.5307 0.2565 -0.0191 -0.0126 0.0316 -2.557 -1.689 4.246 -0.912 -0.603 1.515 -0.853 -0.563 1.416 20 C 13 0.6004 -0.4676 0.6487 -0.195 0.7012 0.6858 0.7756 0.5383 -0.3298 -0.0109 0.0018 0.0091 -1.463 0.241 1.223 -0.522 0.086 0.436 -0.488 0.08 0.408 21 C 13 -0.434 0.6781 -0.5931 -0.1933 0.5729 0.7965 0.8799 0.4603 -0.1176 -0.0194 0.0015 0.0179 -2.604 0.201 2.403 -0.929 0.072 0.857 -0.869 0.067 0.801 22 C 13 -0.2446 0.5524 0.7969 0.8559 0.5092 -0.0903 -0.4557 0.6599 -0.5974 -0.0036 6.0E-4 0.0029 -0.479 0.084 0.395 -0.171 0.03 0.141 -0.16 0.028 0.132 23 C 13 0.1853 0.4711 0.8624 -0.4745 0.8114 -0.3412 0.8605 0.3459 -0.3739 -0.0024 -0.002 0.0044 -1.292 -1.081 2.373 -0.461 -0.386 0.847 -0.431 -0.36 0.791 24 H 1 0.6889 -0.2707 -0.6724 -0.2657 0.7688 -0.5817 0.6744 0.5794 0.4577 -0.0039 0.0014 0.0025 -0.525 0.188 0.337 -0.187 0.067 0.12 -0.175 0.063 0.112 25 C 13 -0.6022 0.714 -0.3573 -0.6569 -0.1888 0.73 0.4537 0.6743 0.5827 -0.0116 -0.0083 0.0199 -6.192 -4.416 10.608 -2.209 -1.576 3.785 -2.065 -1.473 3.539 26 H 1 0.5859 -0.5151 0.6256 -0.388 0.4994 0.7746 0.7114 0.6966 -0.0927 -0.009 0.0027 0.0063 -1.206 0.362 0.844 -0.43 0.129 0.301 -0.402 0.121 0.282 27 C 13 -0.0988 0.5976 0.7957 -0.5299 0.6452 -0.5504 0.8423 0.476 -0.2529 -9.0E-4 -7.0E-4 0.0017 -0.506 -0.379 0.885 -0.181 -0.135 0.316 -0.169 -0.127 0.295 28 H 1 -0.2714 -0.393 0.8786 0.8819 -0.4671 0.0635 0.3854 0.7921 0.4733 -0.0016 -0.0013 0.0028 -0.83 -0.68 1.511 -0.296 -0.243 0.539 -0.277 -0.227 0.504 29 H 1 -0.5332 0.638 -0.5556 -0.3649 0.4191 0.8314 0.7633 0.646 0.0093 -7.0E-4 -2.0E-4 9.0E-4 -0.381 -0.118 0.498 -0.136 -0.042 0.178 -0.127 -0.039 0.166 30 H 1 9.58716547e-02 -1.68040248e-01 -8.72173797e-02 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 6 6 6 6 6 6 1 1 6 6 6 6 1 6 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 1 -0.011433914 0.018335880 0.009702045 0.015746197 -0.027464548 -0.015522052 -0.010006958 0.019117368 0.009712293 0.003188445 0.001075624 0.000046146 0.000241316 -0.000415451 -0.000352788 -0.002531502 -0.002211642 0.000030957 0.001582798 0.000956115 -0.000314295 -0.001622499 -0.000868683 -0.000317186 0.000660440 0.000912880 0.000413880 -0.000638646 -0.000091854 -0.000018364 -0.000124217 0.000053528 0.000079599 0.000040177 -0.000010396 0.000110411 0.000004285 -0.000007718 -0.000083306 -0.000035140 -0.000027425 0.000047648 0.000029115 0.000036554 -0.000000591 -0.000157951 -0.000021375 0.000001373 -0.000065075 0.000008126 0.000022300 -0.000054720 -0.000012589 -0.000012105 -0.000026869 0.000006913 -0.000010253 -0.001134267 -0.000104606 0.000407609 0.000020191 0.000140539 0.000086675 0.000405498 0.000502303 -0.000014405 0.000039327 0.000015622 0.000050254 -0.000044091 -0.000000860 0.000004327 -0.000017127 -0.000035658 0.000115894 0.000000361 -0.000006589 -0.000078887 0.000091453 0.000133100 0.000012161 0.000035814 0.000048401 -0.000002940 0.000018400 0.000060773 0.000027466 0.000001694 0.000030509 -0.000002389 0.005787465 -0.010154842 -0.004141478 0.027464548 0.005238257 (Enter /opt/software/gaussian/g16/l716.exe) 0.7635 0.7637 0.7637 0.7637 0.7637 open 1 1 1 -693.552376918221 -693.552379760816 -0.000002842595 -693.552379853527 -0.000000092711 -693.552379897675 -0.000000044148 -693.552379900034 -0.000000002359 -693.552379900664 -0.000000000631 -693.552379900739 -0.000000000075 -693.552379900779 -0.000000000040 -693.552379900819 -0.000000000040 -693.552379900818 0.000000000001 -693.552379900814 0.000000000004 -693.552379900801 0.000000000013 -693.552379901 12 0.7637 6.906632154314e+02 -3.790918277488e+03 1.315475969737e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 10737418240 LenX= 10736893787 LenY= 10736638257 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7637 (Enter /opt/software/gaussian/g16/l716.exe) 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 C C C C C C H H C C C C H C H C H H H C C C C H C H C H H H H 13 13 13 13 13 13 1 1 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 1 0.03753 -0.00582 0.03749 0.00380 0.41578 0.00387 0.00337 0.00337 0.02183 0.00133 -0.00244 0.00063 0.00039 0.00119 0.00022 -0.00031 0.00012 -0.00007 0.00013 0.02179 -0.00244 0.00141 0.00120 0.00022 0.00064 0.00039 -0.00030 -0.00007 0.00012 0.00013 0.00089 42.19383 -6.53997 42.14319 4.27228 467.41735 4.35600 15.05980 15.05125 24.53598 1.49279 -2.74131 0.71103 1.73208 1.34212 0.98030 -0.34290 0.51783 -0.29495 0.57694 24.49995 -2.74018 1.58400 1.34632 0.98374 0.71452 1.74219 -0.33356 -0.29593 0.52488 0.57991 3.98120 15.05581 -2.33362 15.03774 1.52445 166.78613 1.55433 5.37371 5.37066 8.75505 0.53267 -0.97817 0.25371 0.61805 0.47890 0.34980 -0.12235 0.18477 -0.10524 0.20587 8.74219 -0.97776 0.56521 0.48040 0.35102 0.25496 0.62166 -0.11902 -0.10560 0.18729 0.20693 1.42059 14.07435 -2.18150 14.05745 1.42508 155.91365 1.45300 5.02341 5.02056 8.18432 0.49794 -0.91440 0.23717 0.57776 0.44768 0.32699 -0.11438 0.17273 -0.09838 0.19245 8.17231 -0.91403 0.52837 0.44908 0.32814 0.23834 0.58113 -0.11126 -0.09871 0.17508 0.19344 1.32799 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 -0.026120 0.018457 -0.011878 0.099195 -0.245740 0.006508 -0.002886 0.008412 0.020465 0.010118 0.006958 0.002116 0.009832 0.000393 0.001315 0.005666 0.001837 0.000889 0.000773 0.015112 0.001616 0.010248 0.000878 0.002757 -0.000555 -0.003483 0.000501 0.000971 -0.000660 0.000316 0.001083 0.024949 0.018804 0.010684 -0.022895 0.420781 0.069739 0.006980 -0.004310 -0.006662 -0.004762 -0.004341 -0.001293 -0.010639 0.000873 0.000052 -0.003960 -0.001256 -0.000189 -0.000400 -0.001446 0.001068 -0.004752 0.000374 -0.001373 0.001363 0.002649 0.001252 -0.000267 0.001237 0.000059 0.000832 0.001171 -0.037261 0.001194 -0.076301 -0.175041 -0.076248 -0.004095 -0.004101 -0.013803 -0.005356 -0.002617 -0.000823 0.000807 -0.001266 -0.001367 -0.001706 -0.000581 -0.000700 -0.000372 -0.013665 -0.002684 -0.005496 -0.001253 -0.001384 -0.000808 0.000834 -0.001753 -0.000705 -0.000577 -0.000375 -0.001915 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 -0.026980 -0.000347 -0.035336 -0.002531 -0.564261 0.052143 0.004542 -0.002132 0.016993 0.012508 0.003385 -0.000121 0.002195 0.000164 0.002698 0.002200 -0.000220 0.001001 0.000470 0.020035 0.006574 0.012612 -0.000118 0.001858 0.001454 0.010066 0.005274 0.000958 0.001244 0.000742 0.000207 -0.006209 -0.015493 -0.013882 -0.050254 -0.240915 -0.001355 0.001051 -0.003635 -0.009171 -0.002849 0.001321 -0.000850 -0.013494 0.001632 0.001986 -0.000713 -0.001808 0.000603 -0.000083 0.011542 -0.006721 -0.006994 0.001391 -0.002180 0.002772 0.006809 -0.004428 -0.000496 0.000827 -0.000134 -0.000845 0.019735 0.027257 0.015350 0.031506 0.421730 0.059534 0.003624 0.000937 -0.007883 0.009765 0.007036 -0.002723 0.000066 -0.002569 0.001384 0.005557 0.000109 0.000229 0.000207 0.003964 0.002485 0.007447 -0.002716 -0.000995 -0.000653 0.011762 0.003465 -0.000399 0.001624 0.000180 0.001486 0.9097 0.4105 -0.0628 0.2241 -0.3578 0.9065 -0.3496 0.8387 0.4175 -0.0379 -0.0082 0.046 -5.081 -1.094 6.175 -1.813 -0.39 2.203 -1.695 -0.365 2.06 1 C 13 0.2012 -0.3543 0.9132 0.8686 0.4955 9.0E-4 -0.4528 0.793 0.4075 -0.0513 0.0182 0.033 -6.877 2.448 4.429 -2.454 0.874 1.58 -2.294 0.817 1.477 2 C 13 0.8162 0.5741 0.0645 0.1931 -0.3764 0.9061 -0.5445 0.7271 0.4181 -0.0378 -0.0081 0.046 -5.076 -1.092 6.169 -1.811 -0.39 2.201 -1.693 -0.364 2.058 3 C 13 0.223 -0.3581 0.9067 0.1681 0.9303 0.3261 0.9602 -0.0797 -0.2676 -0.1011 -0.0123 0.1134 -13.567 -1.652 15.219 -4.841 -0.589 5.43 -4.525 -0.551 5.076 4 C 13 0.8686 0.4954 8.0E-4 0.1954 -0.3441 0.9184 -0.4553 0.7976 0.3957 -0.5678 -0.3843 0.9521 -76.194 -51.572 127.767 -27.188 -18.402 45.59 -25.416 -17.203 42.618 5 C 13 0.193 -0.3748 0.9068 0.8871 -0.3284 -0.3245 0.4194 0.867 0.2691 -0.1011 -0.0123 0.1134 -13.572 -1.65 15.223 -4.843 -0.589 5.432 -4.527 -0.55 5.078 6 C 13 0.348 -0.3819 0.8562 0.8716 -0.2044 -0.4455 0.3451 0.9013 0.2617 -0.0053 -0.0045 0.0098 -2.819 -2.395 5.214 -1.006 -0.854 1.86 -0.94 -0.799 1.739 7 H 1 0.1498 -0.4962 0.8552 0.2673 0.853 0.4482 0.9519 -0.1615 -0.2604 -0.0053 -0.0045 0.0098 -2.818 -2.394 5.212 -1.006 -0.854 1.86 -0.94 -0.798 1.738 8 H 1 -0.0819 0.6139 0.7851 -0.495 0.6587 -0.5667 0.8651 0.435 -0.2499 -0.019 -0.0126 0.0317 -2.551 -1.697 4.248 -0.91 -0.606 1.516 -0.851 -0.566 1.417 9 C 13 -0.3661 0.7208 -0.5885 -0.3952 0.4521 0.7996 0.8425 0.5254 0.1194 -0.0191 0.0016 0.0175 -2.561 0.211 2.35 -0.914 0.075 0.839 -0.854 0.07 0.784 10 C 13 -0.0973 0.7597 -0.643 -0.5069 0.5182 0.6889 0.8565 0.393 0.3346 -0.0107 0.0017 0.009 -1.44 0.228 1.211 -0.514 0.082 0.432 -0.48 0.076 0.404 11 C 13 0.1112 0.7249 0.6798 -0.5301 0.6219 -0.5764 0.8406 0.2962 -0.4535 -0.0039 0.0013 0.0025 -0.519 0.179 0.34 -0.185 0.064 0.121 -0.173 0.06 0.113 12 C 13 -0.3125 0.8835 -0.349 0.4933 0.4649 0.7351 0.8118 0.0576 -0.5812 -0.0114 -0.0082 0.0196 -6.105 -4.379 10.483 -2.178 -1.562 3.741 -2.036 -1.461 3.497 13 H 1 -0.3539 0.4812 0.802 0.871 0.4819 0.0952 -0.3407 0.7322 -0.5897 -0.0035 7.0E-4 0.0029 -0.473 0.089 0.385 -0.169 0.032 0.137 -0.158 0.03 0.128 14 C 13 -0.5109 0.0782 0.8561 -0.4554 0.82 -0.3467 0.7291 0.567 0.3833 -0.0024 -0.002 0.0045 -1.294 -1.084 2.378 -0.462 -0.387 0.849 -0.432 -0.362 0.793 15 H 1 -0.1477 0.7724 -0.6177 -0.2363 0.5789 0.7804 0.9604 0.2612 0.0971 -0.0088 0.0026 0.0062 -1.184 0.353 0.831 -0.423 0.126 0.297 -0.395 0.118 0.277 16 C 13 0.4724 0.0274 0.8809 0.0401 0.9978 -0.0525 0.8805 -0.0601 -0.4703 -0.0015 -0.0013 0.0028 -0.825 -0.678 1.503 -0.295 -0.242 0.536 -0.275 -0.226 0.501 17 H 1 -0.4692 0.3801 0.7971 -0.2874 0.7878 -0.5448 0.835 0.4847 0.2604 -9.0E-4 -7.0E-4 0.0017 -0.505 -0.38 0.885 -0.18 -0.136 0.316 -0.168 -0.127 0.295 18 H 1 -0.2798 0.7875 -0.5491 -0.1752 0.5204 0.8357 0.9439 0.3301 -0.0077 -7.0E-4 -2.0E-4 9.0E-4 -0.38 -0.121 0.5 -0.135 -0.043 0.179 -0.127 -0.04 0.167 19 H 1 -0.4909 0.3845 0.7818 -0.3119 0.7603 -0.5698 0.8135 0.5236 0.2533 -0.019 -0.0126 0.0316 -2.545 -1.696 4.24 -0.908 -0.605 1.513 -0.849 -0.566 1.414 20 C 13 0.6012 -0.4703 0.646 -0.1912 0.7003 0.6878 0.7759 0.537 -0.3311 -0.0107 0.0017 0.009 -1.442 0.23 1.212 -0.515 0.082 0.433 -0.481 0.077 0.404 21 C 13 -0.4321 0.6815 -0.5907 -0.1876 0.5727 0.798 0.8821 0.4556 -0.1196 -0.0192 0.0015 0.0177 -2.577 0.2 2.377 -0.92 0.072 0.848 -0.86 0.067 0.793 22 C 13 -0.2379 0.5498 0.8007 0.859 0.5038 -0.0907 -0.4533 0.6663 -0.5921 -0.0035 7.0E-4 0.0029 -0.474 0.089 0.385 -0.169 0.032 0.137 -0.158 0.03 0.128 23 C 13 0.1896 0.478 0.8576 -0.4725 0.8101 -0.3471 0.8607 0.3394 -0.3794 -0.0024 -0.002 0.0045 -1.291 -1.083 2.375 -0.461 -0.387 0.847 -0.431 -0.361 0.792 24 H 1 0.684 -0.274 -0.6761 -0.276 0.7606 -0.5876 0.6752 0.5885 0.4446 -0.0039 0.0013 0.0025 -0.52 0.18 0.34 -0.186 0.064 0.121 -0.174 0.06 0.114 25 C 13 -0.5996 0.7183 -0.353 -0.6546 -0.1863 0.7327 0.4605 0.6704 0.5819 -0.0115 -0.0082 0.0198 -6.154 -4.396 10.55 -2.196 -1.569 3.765 -2.053 -1.466 3.519 26 H 1 0.5873 -0.5197 0.6205 -0.3803 0.4995 0.7783 0.7145 0.6931 -0.0957 -0.0088 0.0026 0.0062 -1.187 0.354 0.833 -0.424 0.126 0.297 -0.396 0.118 0.278 27 C 13 -0.0925 0.5978 0.7963 -0.5297 0.6476 -0.5477 0.8431 0.4725 -0.2567 -9.0E-4 -7.0E-4 0.0017 -0.505 -0.38 0.885 -0.18 -0.136 0.316 -0.168 -0.127 0.295 28 H 1 -0.2666 -0.3932 0.8799 0.8799 -0.4719 0.0557 0.3934 0.7891 0.4718 -0.0016 -0.0013 0.0028 -0.829 -0.68 1.509 -0.296 -0.243 0.538 -0.276 -0.227 0.503 29 H 1 -0.5336 0.6412 -0.5514 -0.3624 0.4158 0.8342 0.7642 0.6449 0.0105 -7.0E-4 -2.0E-4 9.0E-4 -0.38 -0.121 0.502 -0.136 -0.043 0.179 -0.127 -0.04 0.167 30 H 1 PT20638.700S Fri Aug 8 15:41:56 2025 -10.55728 -10.55723 -10.55230 -10.55070 -10.55068 -10.54988 -10.54984 -10.54963 -10.54963 -10.54908 -10.54905 -10.54830 -10.54829 -0.99675 -0.97551 -0.96106 -0.89808 -0.87485 -0.85194 -0.85142 -0.83132 -0.82291 -0.72848 -0.71829 -0.69645 -0.69521 -0.66458 -0.65986 -0.61937 -0.59583 -0.56763 -0.55437 -0.54949 -0.53192 -0.52551 -0.50604 -0.50254 -0.49917 -0.49524 -0.49222 -0.47899 -0.46177 -0.45094 -0.44026 -0.43606 -0.41759 -0.41024 -0.40973 -0.40261 -0.35610 -0.34033 -0.31872 -0.31561 -0.30955 -0.29725 -0.28059 -0.02576 -0.01425 -0.00352 0.00325 0.00544 0.01074 0.01352 0.01412 0.01666 0.02745 0.02918 0.03086 0.03634 0.04306 0.04691 0.04965 0.05087 0.05370 0.06317 0.06555 0.07245 0.07696 0.08240 0.08873 0.09236 0.10417 0.10665 0.10813 0.11082 0.11322 0.11751 0.12081 0.12448 0.12523 0.12834 0.13114 0.13203 0.13547 0.13828 0.13892 0.14174 0.14604 0.14625 0.14829 0.15113 0.15515 0.15672 0.15723 0.16245 0.16872 0.17114 0.17142 0.17843 0.18662 0.18901 0.19075 0.19237 0.19566 0.19698 0.19951 0.20656 0.20764 0.21109 0.21206 0.21544 0.22146 0.22222 0.23300 0.23348 0.23739 0.24163 0.24297 0.24454 0.25306 0.25316 0.25501 0.25803 0.26051 0.26589 0.27305 0.27383 0.27453 0.28635 0.29332 0.29503 0.30141 0.30536 0.30556 0.31041 0.31116 0.31597 0.31744 0.32508 0.32652 0.32705 0.32921 0.33335 0.34050 0.34860 0.35319 0.35794 0.36509 0.37086 0.37387 0.37670 0.37967 0.38322 0.39371 0.40280 0.40924 0.41483 0.41899 0.44240 0.46739 0.47417 0.52076 0.53232 0.53819 0.54354 0.54966 0.56516 0.56569 0.57266 0.57910 0.58296 0.58578 0.58809 0.59970 0.60282 0.60579 0.60934 0.60947 0.61167 0.61672 0.61685 0.62427 0.62580 0.64354 0.65251 0.65798 0.66181 0.66208 0.67023 0.68219 0.68716 0.68944 0.69157 0.69934 0.70697 0.70752 0.72023 0.72616 0.73241 0.74389 0.74648 0.75888 0.76125 0.76428 0.76547 0.77478 0.78183 0.78273 0.79715 0.80458 0.81025 0.81930 0.82672 0.83512 0.83562 0.84620 0.86424 0.86737 0.87891 0.88288 0.88862 0.89095 0.89127 0.90110 0.90358 0.90717 0.91607 0.91730 0.92571 0.94324 0.94824 0.95441 0.96003 0.96466 0.96588 0.97001 0.99189 0.99658 1.00069 1.00472 1.02032 1.02598 1.02879 1.03147 1.06838 1.07321 1.09007 1.09046 1.09312 1.09866 1.11502 1.13497 1.13983 1.14612 1.15018 1.16758 1.17264 1.18907 1.18963 1.19753 1.20438 1.25122 1.26436 1.28337 1.29859 1.32077 1.35458 1.36076 1.39282 1.50317 1.50953 1.51857 1.52438 1.52920 1.53672 1.54513 1.55274 1.56377 1.56661 1.57199 1.58821 1.59314 1.60033 1.61187 1.61416 1.61547 1.61870 1.63965 1.64143 1.65126 1.67490 1.67822 1.68709 1.69184 1.69966 1.70251 1.72474 1.73729 1.74856 1.75181 1.76608 1.77390 1.78386 1.79023 1.79349 1.81168 1.81721 1.84785 1.85734 1.85794 1.87752 1.87876 1.89338 1.90954 1.92426 1.94194 1.94616 1.95268 1.96184 1.96703 1.97838 1.97916 1.98406 1.98561 1.99016 1.99756 2.01049 2.01432 2.01992 2.04056 2.04423 2.05208 2.06756 2.06775 2.06965 2.10483 2.10737 2.11052 2.11552 2.11627 2.14782 2.18006 2.25873 2.26056 2.29165 2.29934 2.33934 2.34788 2.38135 2.38215 2.39315 2.41972 2.45233 2.45549 2.47376 2.48038 2.48894 2.50908 2.51935 2.52486 2.53504 2.54245 2.57974 2.65351 2.65484 2.67924 2.68684 2.71154 2.71885 2.72474 2.72753 2.72770 2.73188 2.73648 2.74416 2.74812 2.74953 2.75877 2.76200 2.76281 2.78151 2.79093 2.79604 2.80505 2.80673 2.82348 2.82612 2.83449 2.84676 2.85588 2.86635 2.87405 2.90246 2.90797 2.92461 2.94793 2.96172 2.96863 2.97336 2.98358 2.99170 3.00288 3.01362 3.02870 3.07005 3.11032 3.14690 3.15384 3.15590 3.18245 3.25769 3.27359 3.27664 3.29300 3.30670 3.42111 3.43063 3.43983 3.44116 3.44520 3.46836 3.55660 3.56258 3.57231 3.59428 3.59788 3.62908 3.66262 3.69408 3.69455 3.75458 3.83078 3.99269 4.04787 4.04874 4.08649 4.08796 4.10564 4.15891 4.19350 4.20382 4.20415 4.21450 4.47154 4.64467 4.81327 4.86543 4.88034 23.58870 23.75509 23.78284 23.99953 24.03569 24.04132 24.04987 24.04992 24.06367 24.13142 24.14517 24.16088 24.18048 24.18162 24.18644 24.24602 24.27130 24.27228 -10.56972 -10.56965 -10.56595 -10.56355 -10.56354 -10.55660 -10.55653 -10.55256 -10.55075 -10.55073 -10.54985 -10.54981 -10.54961 -10.54961 -10.54906 -10.54903 -10.54832 -10.54830 -0.99029 -0.97510 -0.95863 -0.89606 -0.87110 -0.85154 -0.85132 -0.82125 -0.82083 -0.72557 -0.71208 -0.69542 -0.69498 -0.65765 -0.65671 -0.61477 -0.59465 -0.56341 -0.55016 -0.54417 -0.53089 -0.52494 -0.50380 -0.50039 -0.49673 -0.49445 -0.49160 -0.47287 -0.45234 -0.45057 -0.43761 -0.43387 -0.41567 -0.40921 -0.40657 -0.40067 -0.35649 -0.33647 -0.31615 -0.31570 -0.28632 -0.28020 -0.04842 -0.02577 -0.00620 -0.00316 0.00329 0.00625 0.01164 0.01350 0.01429 0.01673 0.02838 0.02922 0.03245 0.03641 0.04319 0.04899 0.05071 0.05087 0.05372 0.06232 0.06310 0.07045 0.07697 0.08187 0.08892 0.09225 0.10279 0.10669 0.10813 0.11072 0.11236 0.11741 0.12087 0.12449 0.12475 0.12782 0.13063 0.13210 0.13585 0.13826 0.13879 0.14185 0.14592 0.14602 0.14851 0.14969 0.15262 0.15681 0.15689 0.16246 0.16895 0.17137 0.17154 0.17799 0.18749 0.18866 0.19146 0.19247 0.19560 0.19659 0.19983 0.20598 0.20655 0.21009 0.21220 0.21457 0.22096 0.22149 0.23244 0.23317 0.23862 0.24180 0.24439 0.24464 0.25147 0.25375 0.25507 0.25598 0.25967 0.26604 0.27056 0.27320 0.27398 0.28600 0.29569 0.29666 0.30238 0.30588 0.30662 0.30880 0.31047 0.31535 0.31758 0.32325 0.32533 0.32718 0.32826 0.33413 0.34056 0.35021 0.35126 0.35729 0.36657 0.37124 0.37458 0.37701 0.38318 0.38375 0.39547 0.40268 0.40826 0.41549 0.41847 0.44837 0.46825 0.47513 0.52126 0.52446 0.53888 0.54596 0.55208 0.56678 0.56723 0.57151 0.57849 0.58361 0.58651 0.58814 0.59881 0.60217 0.60609 0.60991 0.61016 0.61334 0.61652 0.61794 0.62611 0.62735 0.64262 0.65346 0.65869 0.66227 0.66297 0.67285 0.68183 0.68950 0.69108 0.69200 0.70038 0.70725 0.71246 0.71979 0.72483 0.73283 0.74405 0.74900 0.75876 0.75900 0.76443 0.76547 0.77486 0.78182 0.78392 0.79460 0.80537 0.81074 0.81958 0.83158 0.83572 0.83618 0.84736 0.86452 0.86822 0.87926 0.88442 0.88830 0.89086 0.89196 0.90096 0.90383 0.90700 0.91731 0.91843 0.92695 0.94307 0.94917 0.95203 0.95975 0.96567 0.96593 0.97024 0.99203 0.99984 1.00491 1.00646 1.02088 1.02204 1.02893 1.03793 1.06834 1.07429 1.09035 1.09066 1.09314 1.09952 1.11417 1.13554 1.14038 1.14758 1.15115 1.16832 1.17298 1.18905 1.19102 1.19874 1.20704 1.24970 1.26334 1.29381 1.29991 1.32566 1.35703 1.36079 1.39662 1.50757 1.51203 1.52092 1.52698 1.53561 1.53848 1.54592 1.55301 1.56443 1.56750 1.57795 1.58895 1.59373 1.60116 1.61195 1.61446 1.61581 1.61944 1.64219 1.64362 1.65461 1.68013 1.68106 1.69057 1.69265 1.70021 1.70564 1.72528 1.73988 1.75199 1.75230 1.76678 1.77496 1.78892 1.79064 1.79428 1.81190 1.81733 1.84849 1.86081 1.86191 1.87872 1.88130 1.89409 1.91036 1.92791 1.94302 1.94681 1.95497 1.96327 1.96760 1.98042 1.98049 1.98583 1.98630 1.99079 1.99927 2.01072 2.01548 2.02137 2.04130 2.04616 2.05274 2.06791 2.06848 2.07024 2.10747 2.11001 2.11061 2.11753 2.11857 2.15047 2.18094 2.25908 2.26130 2.29606 2.30402 2.34406 2.34968 2.38158 2.38357 2.39767 2.42120 2.45316 2.45809 2.47448 2.48104 2.49108 2.50885 2.51945 2.52500 2.53641 2.54260 2.58190 2.65355 2.65485 2.67983 2.68707 2.71415 2.72066 2.72481 2.72781 2.72945 2.73190 2.73966 2.74610 2.74823 2.74976 2.75952 2.76219 2.76493 2.78257 2.79097 2.79636 2.80573 2.80763 2.82628 2.82664 2.83461 2.84732 2.85527 2.86646 2.87418 2.90355 2.91016 2.92524 2.94843 2.96463 2.96992 2.97451 2.98526 2.99189 3.00260 3.01598 3.02895 3.06928 3.11091 3.14692 3.15616 3.16148 3.19986 3.25858 3.27400 3.27717 3.29400 3.30962 3.42190 3.43095 3.44044 3.44124 3.44813 3.47070 3.55676 3.56288 3.57485 3.59451 3.59786 3.63164 3.66328 3.69647 3.69683 3.75734 3.83352 3.99501 4.04801 4.04910 4.08636 4.08786 4.10592 4.16024 4.19374 4.20391 4.20441 4.21455 4.47021 4.64633 4.81456 4.86553 4.88114 23.58990 23.75507 23.78361 24.00138 24.03568 24.04161 24.04986 24.04991 24.06376 24.13146 24.14589 24.16087 24.18058 24.18160 24.18978 24.24832 24.27150 24.27227 1.01648045e-01 -1.78173203e-01 -8.80643196e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2584 -0.4529 -0.2238 0.5674 -90.6162 -98.4559 -103.3188 5.2570 -5.8760 9.7483 6.8475 -0.9923 -5.8552 5.2570 -5.8760 9.7483 -217.8365 -404.4061 26.4973 -29.9616 -117.2049 -19.5311 -74.6501 -140.1208 28.2594 -11.2716 -5091.0645 -3477.4197 -611.7559 -1248.3303 -44.6555 -1212.6519 -68.5842 153.4525 -207.5267 -1312.9497 -999.5216 -671.5508 -77.6784 84.8998 -493.3915 0 -693.5523799 0.763677 0. 0.750077 4.496E-9 4.603E-6 5.0909143,-0.7377146,-4.3531997,3.9084222,-4.3686254,7.2476376 C01 [X(C18H13)] 0.101648 -0.1781732 -0.0880643 0.000002755 0.000002827 -0.000001590 0.000004562 -0.000004509 -0.000005059 -0.000003027 0.000005457 0.000000879 -0.000004080 0.000014564 0.000003285 0.000008768 -0.000020047 -0.000007940 -0.000005839 0.000014418 0.000001580 0.000001915 0.000000312 -0.000002682 0.000001641 0.000002042 0.000000281 0.000002331 0.000002910 0.000006521 0.000001043 -0.000004155 -0.000002467 -0.000003637 -0.000004688 -0.000007564 -0.000000337 -0.000004547 -0.000003130 0.000000451 -0.000003078 -0.000001151 0.000002549 -0.000003742 -0.000005862 0.000004149 0.000001351 -0.000002697 0.000002402 -0.000003154 -0.000001718 -0.000001791 -0.000005367 -0.000001087 0.000001472 -0.000001544 -0.000003461 0.000000391 -0.000003620 -0.000002380 -0.000005667 0.000000881 0.000008765 0.000004389 0.000004742 -0.000000492 -0.000000744 -0.000000359 0.000001440 -0.000000835 0.000001397 0.000001893 -0.000001850 0.000003343 0.000002824 -0.000002088 -0.000000832 0.000002503 -0.000001908 -0.000001894 0.000001522 -0.000003241 0.000000528 0.000005470 -0.000001787 0.000004442 0.000005322 -0.000002236 -0.000000364 0.000004666 -0.000003714 0.000002065 0.000006587 0.000003965 0.000000621 -0.000004257 216.1925999999999 AuxInfo=1/0/N:1;2;3;4;5;6;9;10;11;12;14;16;20;21;22;23;25;27;7;8;13;15;17;18;19;24;26;28;29;30;31/rA:31nC0C0C0C0C0C0H0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6405,-.9462,-.9713;2.002,-.8863,-1.2522;2.7461,.2549,-.9691;2.1332,1.3776,-.3893;.7863,1.2426,-.1287;-.0149,.1523,-.3916;.0865,-1.855,-1.1779;3.8107,.2694,-1.1742;-1.4631,.1536,-.0734;-1.9476,.9408,.9767;-2.3683,-.6139,-.8116;-3.3018,.953,1.2867;-1.2511,1.5365,1.557;-3.7234,-.6032,-.4997;-2.0173,-1.2059,-1.6489;-4.1948,.1783,.551;-3.6603,1.5644,2.1063;-4.4133,-1.1997,-1.0848;-5.2509,.1868,.7926;2.8679,2.6246,-.0676;3.9929,3.0145,-.7996;2.4306,3.4413,.9806;4.6704,4.1871,-.4833;4.3291,2.4118,-1.6353;3.1063,4.6137,1.2949;1.5606,3.144,1.5561;4.2312,4.9897,.5654;5.538,4.4783,-1.0635;2.7574,5.2327,2.113;4.7593,5.9035,.8101;2.4945,-1.7492,-1.6837; Gaussian 16 GINC-NODE023 QSB14101 m-terphenyl 2-radical ES64L-G16RevC.01 UM062X GenECP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UM062X/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 216.1925999999999 AuxInfo=1/0/N:1;2;3;4;5;6;9;10;11;12;14;16;20;21;22;23;25;27;7;8;13;15;17;18;19;24;26;28;29;30;31/rA:31nC0C0C0C0C0C0H0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6405,-.9462,-.9713;2.002,-.8863,-1.2522;2.7461,.2549,-.9691;2.1332,1.3776,-.3893;.7863,1.2426,-.1287;-.0149,.1523,-.3916;.0865,-1.855,-1.1779;3.8107,.2694,-1.1742;-1.4631,.1535,-.0734;-1.9476,.9408,.9767;-2.3683,-.6139,-.8116;-3.3018,.953,1.2867;-1.2511,1.5365,1.557;-3.7234,-.6032,-.4997;-2.0173,-1.2059,-1.6489;-4.1948,.1783,.551;-3.6603,1.5644,2.1063;-4.4133,-1.1997,-1.0848;-5.2509,.1868,.7926;2.8679,2.6246,-.0676;3.9929,3.0145,-.7996;2.4306,3.4413,.9806;4.6704,4.1871,-.4833;4.3291,2.4118,-1.6353;3.1063,4.6137,1.2949;1.5606,3.144,1.5561;4.2312,4.9897,.5654;5.538,4.4783,-1.0635;2.7574,5.2327,2.113;4.7593,5.9035,.8101;2.4945,-1.7492,-1.6837; m-terphenyl 2-radical Redundant internal coordinates found in file. (old form). 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 12 12 12 12 12 12 1 1 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /opt/software/gaussian/g16/l101.exe) Structure from the checkpoint file: "mterPh_rad_d.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 1 1 1 2 2 3 3 4 4 5 6 9 9 10 10 11 11 12 12 14 14 16 20 20 21 21 22 22 23 23 25 25 27 2 6 7 3 31 4 8 5 20 6 9 10 11 12 13 14 15 16 17 16 18 19 21 22 23 24 25 26 27 28 27 29 30 1.3914 1.4044 1.0843 1.3914 1.0833 1.4044 1.0843 1.3784 1.4827 1.3784 1.4827 1.3989 1.3977 1.3893 1.0847 1.3906 1.0839 1.3924 1.0836 1.3917 1.0836 1.0834 1.3977 1.3989 1.3906 1.0839 1.3892 1.0847 1.3917 1.0836 1.3924 1.0836 1.0834 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 2 2 6 1 1 3 2 2 4 3 3 5 4 1 1 5 6 6 10 9 9 12 9 9 14 10 10 16 11 11 16 12 12 14 4 4 21 20 20 23 20 20 25 21 21 27 22 22 27 23 23 25 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 9 9 9 10 10 10 11 11 11 12 12 12 14 14 14 16 16 16 20 20 20 21 21 21 22 22 22 23 23 23 25 25 25 27 27 27 6 7 7 3 31 31 4 8 8 5 20 20 6 5 9 9 10 11 11 12 13 13 14 15 15 16 17 17 16 18 18 14 19 19 21 22 22 23 24 24 25 26 26 27 28 28 27 29 29 25 30 30 120.4182 119.8372 119.7267 121.1653 119.4077 119.4192 120.4114 119.8412 119.7295 115.2306 123.069 121.6997 127.5395 115.2253 123.0292 121.745 119.9881 121.2486 118.7616 120.6624 119.2269 120.1072 120.5583 119.8816 119.5457 120.1588 119.7489 120.0917 120.2514 119.67 120.0762 119.6051 120.2021 120.1923 121.3248 119.913 118.7603 120.5476 119.8882 119.5496 120.6752 119.2282 120.0934 120.2593 119.6599 120.0785 120.1517 119.7541 120.0937 119.6037 120.1824 120.2135 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 6 6 7 7 2 2 7 7 1 1 31 31 2 2 8 8 3 20 3 3 5 5 4 4 1 1 5 5 6 6 11 11 6 6 10 10 9 9 13 13 9 9 15 15 10 10 17 17 11 11 18 18 4 4 22 22 4 4 21 21 20 20 24 24 20 20 26 26 21 21 28 28 22 22 29 29 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 6 6 6 6 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 2 2 2 2 6 6 6 6 3 3 3 3 4 4 4 4 5 5 20 20 20 20 6 6 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 16 16 16 16 16 16 16 16 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 27 27 27 27 27 27 27 27 3 31 3 31 5 9 5 9 4 8 4 8 5 20 5 20 6 6 21 22 21 22 1 9 10 11 10 11 12 13 12 13 14 15 14 15 16 17 16 17 16 18 16 18 14 19 14 19 12 19 12 19 23 24 23 24 25 26 25 26 27 28 27 28 27 29 27 29 25 30 25 30 23 30 23 30 -0.02 178.9551 -178.4782 0.497 -0.5144 179.7436 177.9454 -1.7966 0.0245 178.4822 -178.9505 -0.4928 0.506 -179.7837 -177.9534 1.7569 -1.1769 179.1084 28.6588 -151.8378 -151.6492 27.8542 1.1811 -179.0733 151.6692 -28.8163 -28.0563 151.4581 179.9742 -0.7028 0.4477 179.7708 179.9261 -1.4644 -0.5536 178.0559 -0.0361 179.6896 -179.3532 0.3725 0.2492 179.6839 -178.3649 1.0698 -0.2763 179.9585 179.999 0.2337 0.1705 179.9358 -179.2619 0.5034 -179.9572 1.4342 0.5339 -178.0747 -179.941 0.7172 -0.4249 -179.7668 -0.2447 -179.6874 178.3686 -1.0742 0.0252 -179.7017 179.3614 -0.3655 -0.1627 -179.9322 179.2777 -0.4917 0.2716 -179.959 179.9976 -0.233 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00384 0.00460 0.01566 0.01586 0.01699 0.01738 0.01757 0.01759 0.01816 0.01840 0.01868 0.02220 0.02267 0.02277 0.02379 0.02409 0.02412 0.02491 0.02519 0.02553 0.02677 0.02679 0.02787 0.02812 0.02830 0.02835 0.02869 0.02873 0.10720 0.10746 0.10936 0.11260 0.11386 0.11580 0.11735 0.12024 0.12147 0.12167 0.12178 0.12618 0.12656 0.16224 0.17464 0.18431 0.18790 0.19089 0.19102 0.19215 0.19273 0.19562 0.19600 0.19695 0.22234 0.23975 0.27345 0.29088 0.29727 0.32531 0.33086 0.36145 0.36152 0.36256 0.36328 0.36377 0.36382 0.36399 0.36407 0.36491 0.36571 0.36581 0.36854 0.36905 0.41556 0.42033 0.42442 0.42486 0.43775 0.44409 0.46472 0.47851 0.47908 0.48002 0.48077 0.48405 0.51704 0.51998 0.52156 Angle between quadratic step and forces= 70.96 degrees. 1 2 0.00017146 0.00000002 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 2.62940 2.65385 2.04901 2.62944 2.04714 2.65384 2.04899 2.60488 2.80194 2.60476 2.80195 2.64363 2.64120 2.62544 2.04988 2.62777 2.04821 2.63124 2.04773 2.62996 2.04770 2.04736 2.64122 2.64356 2.62791 2.04825 2.62528 2.04983 2.62995 2.04771 2.63125 2.04771 2.04736 2.10169 2.09155 2.08963 2.11473 2.08406 2.08426 2.10158 2.09162 2.08967 2.01115 2.14796 2.12406 2.22599 2.01106 2.14726 2.12485 2.09419 2.11619 2.07278 2.10596 2.08090 2.09627 2.10414 2.09233 2.08647 2.09717 2.09001 2.09600 2.09878 2.08864 2.09573 2.08750 2.09792 2.09775 2.11752 2.09288 2.07276 2.10395 2.09244 2.08653 2.10618 2.08092 2.09602 2.09892 2.08846 2.09577 2.09704 2.09010 2.09603 2.08748 2.09758 2.09812 -0.00035 3.12336 -3.11503 0.00867 -0.00898 3.13712 3.10573 -0.03136 0.00043 3.11510 -3.12327 -0.00860 0.00883 -3.13782 -3.10587 0.03066 -0.02054 3.12603 0.50019 -2.65007 -2.64678 0.48615 0.02061 -3.12542 2.64713 -0.50294 -0.48968 2.64344 3.14114 -0.01227 0.00781 3.13759 3.14030 -0.02556 -0.00966 3.10766 -0.00063 3.13618 -3.13030 0.00650 0.00435 3.13608 -3.11306 0.01867 -0.00482 3.14087 3.14158 0.00408 0.00298 3.14047 -3.12871 0.00879 -3.14085 0.02503 0.00932 -3.10799 -3.14056 0.01252 -0.00742 -3.13752 -0.00427 -3.13614 3.11312 -0.01875 0.00044 -3.13639 3.13045 -0.00638 -0.00284 -3.14041 3.12899 -0.00858 0.00474 -3.14088 3.14155 -0.00407 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 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 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00003 -0.00001 -0.00002 0.00002 0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00004 0.00001 0.00003 0.00005 -0.00002 -0.00001 0.00003 0.00002 -0.00003 0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00003 0.00004 0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00002 0.00002 -0.00001 0.00002 -0.00003 -0.00000 -0.00000 -0.00002 0.00000 -0.00002 0.00002 -0.00000 0.00004 0.00002 -0.00004 -0.00002 -0.00003 -0.00005 -0.00005 -0.00007 0.00003 0.00001 -0.00023 -0.00025 -0.00020 -0.00022 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00003 -0.00001 -0.00002 0.00002 0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00002 -0.00002 0.00000 -0.00004 0.00001 0.00003 0.00005 -0.00002 -0.00001 0.00003 0.00002 -0.00003 0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00003 0.00004 0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00001 0.00001 -0.00000 -0.00002 0.00002 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00002 0.00002 -0.00001 0.00002 -0.00003 -0.00000 -0.00000 -0.00002 0.00000 -0.00002 0.00002 -0.00000 0.00004 0.00002 -0.00004 -0.00002 -0.00003 -0.00005 -0.00005 -0.00007 0.00003 0.00001 -0.00023 -0.00025 -0.00020 -0.00022 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 2.62941 2.65387 2.04901 2.62945 2.04715 2.65385 2.04900 2.60486 2.80193 2.60473 2.80195 2.64361 2.64121 2.62544 2.04988 2.62776 2.04821 2.63124 2.04773 2.62997 2.04770 2.04737 2.64123 2.64355 2.62791 2.04825 2.62528 2.04983 2.62996 2.04771 2.63124 2.04771 2.04736 2.10170 2.09156 2.08961 2.11472 2.08407 2.08426 2.10159 2.09160 2.08968 2.01111 2.14797 2.12409 2.22604 2.01104 2.14725 2.12488 2.09420 2.11615 2.07280 2.10594 2.08090 2.09629 2.10413 2.09230 2.08650 2.09717 2.09002 2.09598 2.09877 2.08865 2.09572 2.08752 2.09791 2.09775 2.11750 2.09289 2.07277 2.10395 2.09243 2.08655 2.10617 2.08092 2.09604 2.09891 2.08847 2.09576 2.09705 2.09011 2.09602 2.08748 2.09758 2.09811 -0.00035 3.12335 -3.11501 0.00869 -0.00899 3.13713 3.10570 -0.03136 0.00043 3.11508 -3.12327 -0.00862 0.00885 -3.13782 -3.10583 0.03068 -0.02058 3.12601 0.50016 -2.65012 -2.64683 0.48608 0.02065 -3.12541 2.64689 -0.50319 -0.48988 2.64322 3.14114 -0.01227 0.00782 3.13760 3.14031 -0.02555 -0.00967 3.10765 -0.00063 3.13617 -3.13031 0.00649 0.00435 3.13608 -3.11305 0.01867 -0.00483 3.14087 3.14157 0.00409 0.00298 3.14047 -3.12871 0.00878 -3.14085 0.02503 0.00933 -3.10797 -3.14055 0.01252 -0.00742 -3.13754 -0.00427 -3.13614 3.11311 -0.01876 0.00044 -3.13638 3.13045 -0.00637 -0.00284 -3.14040 3.12898 -0.00858 0.00475 -3.14088 3.14155 -0.00407 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000012 0.000002 0.000720 0.000171 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.152911e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 1 1 1 2 2 3 3 4 4 5 6 9 9 10 10 11 11 12 12 14 14 16 20 20 21 21 22 22 23 23 25 25 27 2 6 7 3 31 4 8 5 20 6 9 10 11 12 13 14 15 16 17 16 18 19 21 22 23 24 25 26 27 28 27 29 30 1.3914 1.4044 1.0843 1.3914 1.0833 1.4044 1.0843 1.3784 1.4827 1.3784 1.4827 1.3989 1.3977 1.3893 1.0847 1.3906 1.0839 1.3924 1.0836 1.3917 1.0836 1.0834 1.3977 1.3989 1.3906 1.0839 1.3892 1.0847 1.3917 1.0836 1.3924 1.0836 1.0834 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 2 2 6 1 1 3 2 2 4 3 3 5 4 1 1 5 6 6 10 9 9 12 9 9 14 10 10 16 11 11 16 12 12 14 4 4 21 20 20 23 20 20 25 21 21 27 22 22 27 23 23 25 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 9 9 9 10 10 10 11 11 11 12 12 12 14 14 14 16 16 16 20 20 20 21 21 21 22 22 22 23 23 23 25 25 25 27 27 27 6 7 7 3 31 31 4 8 8 5 20 20 6 5 9 9 10 11 11 12 13 13 14 15 15 16 17 17 16 18 18 14 19 19 21 22 22 23 24 24 25 26 26 27 28 28 27 29 29 25 30 30 120.4182 119.8372 119.7267 121.1653 119.4077 119.4192 120.4114 119.8412 119.7295 115.2306 123.069 121.6997 127.5395 115.2253 123.0292 121.745 119.9881 121.2486 118.7616 120.6624 119.2269 120.1072 120.5583 119.8816 119.5457 120.1588 119.7489 120.0917 120.2514 119.67 120.0762 119.6051 120.2021 120.1923 121.3248 119.913 118.7603 120.5476 119.8882 119.5496 120.6752 119.2282 120.0934 120.2593 119.6599 120.0785 120.1517 119.7541 120.0937 119.6037 120.1824 120.2135 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 6 6 7 7 2 2 7 7 1 1 31 31 2 2 8 8 3 20 3 3 5 5 4 4 1 1 5 5 6 6 11 11 6 6 10 10 9 9 13 13 9 9 15 15 10 10 17 17 11 11 18 18 4 4 22 22 4 4 21 21 20 20 24 24 20 20 26 26 21 21 28 28 22 22 29 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 6 6 6 6 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 2 2 2 2 6 6 6 6 3 3 3 3 4 4 4 4 5 5 20 20 20 20 6 6 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 16 16 16 16 16 16 16 16 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 27 27 27 27 27 27 27 3 31 3 31 5 9 5 9 4 8 4 8 5 20 5 20 6 6 21 22 21 22 1 9 10 11 10 11 12 13 12 13 14 15 14 15 16 17 16 17 16 18 16 18 14 19 14 19 12 19 12 19 23 24 23 24 25 26 25 26 27 28 27 28 27 29 27 29 25 30 25 30 23 30 23 -0.02 178.9551 -178.4782 0.497 -0.5144 179.7436 177.9454 -1.7966 0.0245 178.4822 -178.9505 -0.4928 0.506 -179.7837 -177.9534 1.7569 -1.1769 179.1084 28.6588 -151.8378 -151.6492 27.8542 1.1811 -179.0733 151.6692 -28.8163 -28.0563 151.4581 179.9742 -0.7028 0.4477 179.7708 179.9261 -1.4644 -0.5536 178.0559 -0.0361 179.6896 -179.3532 0.3725 0.2492 179.6839 -178.3649 1.0698 -0.2763 179.9585 179.999 0.2337 0.1705 179.9358 -179.2619 0.5034 -179.9572 1.4342 0.5339 -178.0747 -179.941 0.7172 -0.4249 -179.7668 -0.2447 -179.6874 178.3686 -1.0742 0.0252 -179.7017 179.3614 -0.3655 -0.1627 -179.9322 179.2777 -0.4917 0.2716 -179.959 179.9976 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 C-PCM UFF Total charges None Matrix inversion Benzene 2.270600 2.253301 0.000000 1.391418 0.000000 2.424048 1.391438 0.000000 2.822474 2.426237 1.404353 0.000000 2.349916 2.696714 2.350030 1.378442 0.000000 1.404359 2.426307 2.822609 2.472940 1.378381 0.000000 1.084288 2.147788 3.401293 3.906453 3.344595 2.158249 0.000000 3.401312 2.147842 1.084281 2.158268 3.344710 3.906585 4.287533 0.000000 2.537850 3.804906 4.304618 3.811956 2.499808 1.482731 2.766891 5.388691 0.000000 3.748762 4.889235 5.127075 4.325392 2.964292 2.495809 4.073871 6.183402 1.398948 0.000000 3.031317 4.400862 5.190061 4.940403 3.723575 2.510384 2.775018 6.252360 1.397662 2.406682 0.000000 4.924105 6.161036 6.492521 5.703337 4.335883 3.776420 5.043784 7.557160 2.422735 1.389321 2.780159 0.000000 4.016748 4.933966 4.899153 3.907299 2.660661 2.690990 4.557613 5.889575 2.148404 1.084749 3.388629 2.149148 0.000000 4.402683 5.781524 6.542992 6.183416 4.886945 3.786192 4.067245 7.614388 2.421434 2.777941 1.390557 2.406298 3.862665 0.000000 2.755090 4.051416 5.028508 5.048490 4.020819 2.726747 2.251461 6.030554 2.153525 3.392191 1.083864 3.863727 4.287880 2.143557 0.000000 5.192510 6.541013 7.105829 6.508897 5.138734 4.284957 5.045143 8.189804 2.802292 2.410961 2.412564 1.392393 3.394408 1.391716 3.390777 0.000000 5.854184 7.024699 7.225989 6.310893 4.987103 4.639241 6.042962 8.261625 3.401368 2.144402 3.863758 1.083610 2.471147 3.390209 4.947319 2.150805 0.000000 5.061391 6.425050 7.306534 7.069767 5.823662 4.653382 4.548182 8.354630 3.399689 3.861498 2.144663 3.390175 4.946230 1.083598 2.461478 2.150021 4.288433 0.000000 6.253294 7.611621 8.189045 7.572298 6.197747 5.368371 6.044834 9.272976 3.885710 3.393334 3.394693 2.151815 4.290053 2.151101 4.284483 1.083419 2.480719 2.479632 0.000000 4.304446 3.805158 2.538315 1.482721 2.499302 3.811536 5.388521 2.767714 4.986344 5.207158 6.201576 6.534047 4.559593 7.351896 6.406145 7.499942 6.961864 8.287064 8.520478 0.000000 5.191855 4.402855 3.032986 2.511322 3.724517 4.941812 6.254285 2.776568 6.203281 6.537955 7.323332 7.862284 5.936182 8.527560 7.393006 8.769685 8.313784 9.407717 9.796944 1.397671 0.000000 5.124846 4.888432 3.748872 2.494827 2.961112 4.322143 6.181035 4.075351 5.203937 5.041915 6.533483 6.256678 4.185179 7.511363 6.949451 7.397831 6.472187 8.523108 8.344665 1.398913 2.406644 0.000000 6.544335 5.783650 4.404662 3.786792 4.886870 6.183838 7.615891 4.069954 7.352351 7.514469 8.526483 8.783405 6.800946 9.664500 8.669986 9.784279 9.109615 10.577915 10.773264 2.421380 1.390633 2.777720 0.000000 5.032143 4.054570 2.757153 2.728421 4.023456 5.051976 6.034451 2.251928 6.410055 6.955781 7.395188 8.300417 6.488159 8.673083 7.305129 9.078862 8.862766 9.474961 10.130277 2.153622 1.083886 3.392223 2.143685 0.000000 6.490625 6.160937 4.924933 3.775772 4.332799 5.700059 7.555075 5.046337 6.530306 6.255681 7.857311 7.380068 5.340927 8.779609 8.293730 8.575141 7.466200 9.798126 9.470702 2.422788 2.780328 1.389240 2.406278 3.863920 0.000000 4.895267 4.931974 4.016123 2.689415 2.655758 3.902040 5.885423 4.558604 4.554160 4.182908 5.929928 5.340010 3.238766 6.796141 6.480361 6.552085 5.482257 7.844026 7.464889 2.148364 3.388582 1.084721 3.862417 4.287927 2.148906 0.000000 7.105550 6.542179 5.194105 4.284951 5.137043 6.507341 8.189510 5.048186 7.498069 7.398621 8.766413 8.576782 6.554659 9.782112 9.073729 9.702939 8.739709 10.759103 10.631565 2.802312 2.412721 2.410807 1.391711 3.390946 1.392396 3.394168 0.000000 7.308790 6.427873 5.063659 4.654230 5.824224 7.071073 8.357195 4.550878 8.288467 8.526990 9.407628 9.802702 7.849415 10.578851 9.472871 10.762146 10.156130 11.457190 11.758521 3.399599 2.144625 3.861279 1.083600 2.461464 3.390179 4.945983 2.150042 0.000000 7.223068 7.024041 5.854773 4.638279 4.983069 6.306302 8.258351 6.045606 6.956352 6.469058 8.307203 7.464132 5.480839 9.104092 8.854722 8.736156 7.392140 10.149915 9.557138 3.401410 3.863920 2.144380 3.390201 4.947505 1.083604 2.470907 2.150823 4.288463 0.000000 8.188743 7.612933 6.255022 5.368361 6.195910 7.570549 9.272651 6.048148 8.518239 8.344944 9.793331 9.471860 7.466843 10.770704 10.124862 10.631131 9.560209 11.755078 11.527617 3.885728 3.394758 3.393272 2.150990 4.284524 2.151936 4.289917 1.083416 2.479501 2.480936 0.000000 2.142390 1.083300 2.142531 3.403351 3.779859 3.403320 2.462830 2.463101 4.677215 5.834884 5.069191 7.051401 5.943755 6.432558 4.544544 7.311401 7.951485 6.955434 8.358945 4.677771 5.071537 5.834729 6.435468 4.547759 7.052203 5.942419 7.313535 6.959124 7.951835 8.361368 0.000000 0.9386897 0.2121671 0.1769757 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 502 502 502 502 502 MxSgAt= 31 MxSgA2= 31. 1 open 1 1 1 -693.552379900809 -693.552379901 1 0.7637 6.906632154644e+02 -3.790918277341e+03 1.315475969557e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 10737418240 LenX= 10736893787 LenY= 10736638257 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7637 Using compressed storage, NAtomX= 31. Will process 32 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.2706, EpsInf= 2.2533) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9631 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 10737418240 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 380. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 820000000 NMat= 93 IRICut= 232 DoRegI=T DoRafI=T ISym2E= 0 IDoP0=3 IntGTp=3. There are 96 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 93 vectors produced by pass 0 Test12= 5.30D-14 1.04D-09 XBig12= 3.95D+02 6.99D+00. AX will form 93 AO Fock derivatives at one time. 93 vectors produced by pass 1 Test12= 5.30D-14 1.04D-09 XBig12= 3.95D+01 7.27D-01. 93 vectors produced by pass 2 Test12= 5.30D-14 1.04D-09 XBig12= 7.41D-01 1.11D-01. 93 vectors produced by pass 3 Test12= 5.30D-14 1.04D-09 XBig12= 6.65D-03 1.33D-02. 93 vectors produced by pass 4 Test12= 5.30D-14 1.04D-09 XBig12= 7.55D-05 1.12D-03. 93 vectors produced by pass 5 Test12= 5.30D-14 1.04D-09 XBig12= 7.11D-07 6.61D-05. 93 vectors produced by pass 6 Test12= 5.30D-14 1.04D-09 XBig12= 5.10D-09 4.37D-06. 58 vectors produced by pass 7 Test12= 5.30D-14 1.04D-09 XBig12= 3.75D-11 4.63D-07. 8 vectors produced by pass 8 Test12= 5.30D-14 1.04D-09 XBig12= 2.72D-13 3.35D-08. 3 vectors produced by pass 9 Test12= 5.30D-14 1.04D-09 XBig12= 2.28D-15 2.74D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 720 with 96 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 250.10 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 315.611 55.653 249.764 -30.194 53.481 184.920 312.242 38.149 266.923 -34.163 60.188 216.889 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 C C C C C C H H C C C C H C H C H H H C C C C H C H C H H H H 13 13 13 13 13 13 1 1 13 13 13 13 1 13 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 1 0.03753 -0.00582 0.03749 0.00380 0.41578 0.00387 0.00337 0.00337 0.02183 0.00133 -0.00244 0.00063 0.00039 0.00119 0.00022 -0.00031 0.00012 -0.00007 0.00013 0.02179 -0.00244 0.00141 0.00120 0.00022 0.00064 0.00039 -0.00030 -0.00007 0.00012 0.00013 0.00089 42.19380 -6.53995 42.14317 4.27229 467.41738 4.35601 15.05980 15.05126 24.53598 1.49280 -2.74131 0.71102 1.73207 1.34212 0.98030 -0.34289 0.51783 -0.29495 0.57694 24.49995 -2.74018 1.58401 1.34632 0.98374 0.71452 1.74218 -0.33356 -0.29593 0.52488 0.57991 3.98120 15.05580 -2.33362 15.03773 1.52446 166.78614 1.55433 5.37371 5.37066 8.75505 0.53267 -0.97817 0.25371 0.61805 0.47890 0.34980 -0.12235 0.18477 -0.10524 0.20587 8.74219 -0.97776 0.56521 0.48040 0.35102 0.25496 0.62165 -0.11902 -0.10560 0.18729 0.20693 1.42059 14.07434 -2.18149 14.05745 1.42508 155.91366 1.45301 5.02341 5.02056 8.18432 0.49794 -0.91440 0.23717 0.57776 0.44768 0.32699 -0.11438 0.17273 -0.09838 0.19245 8.17230 -0.91403 0.52837 0.44908 0.32814 0.23834 0.58113 -0.11126 -0.09871 0.17508 0.19344 1.32798 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 -0.026120 0.018457 -0.011878 0.099195 -0.245740 0.006508 -0.002886 0.008412 0.020465 0.010118 0.006958 0.002116 0.009832 0.000393 0.001315 0.005666 0.001837 0.000889 0.000773 0.015112 0.001616 0.010248 0.000878 0.002757 -0.000555 -0.003483 0.000501 0.000971 -0.000660 0.000316 0.001083 0.024949 0.018804 0.010684 -0.022895 0.420781 0.069739 0.006980 -0.004310 -0.006662 -0.004762 -0.004341 -0.001293 -0.010639 0.000873 0.000052 -0.003960 -0.001256 -0.000189 -0.000400 -0.001446 0.001068 -0.004752 0.000374 -0.001373 0.001363 0.002649 0.001252 -0.000267 0.001237 0.000059 0.000832 0.001171 -0.037261 0.001194 -0.076301 -0.175041 -0.076248 -0.004095 -0.004101 -0.013803 -0.005356 -0.002617 -0.000823 0.000807 -0.001266 -0.001367 -0.001706 -0.000581 -0.000700 -0.000372 -0.013665 -0.002684 -0.005496 -0.001253 -0.001384 -0.000808 0.000834 -0.001753 -0.000705 -0.000577 -0.000375 -0.001915 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 -0.026980 -0.000347 -0.035336 -0.002531 -0.564261 0.052143 0.004542 -0.002132 0.016993 0.012508 0.003385 -0.000121 0.002195 0.000164 0.002698 0.002200 -0.000220 0.001001 0.000470 0.020035 0.006574 0.012612 -0.000118 0.001858 0.001454 0.010066 0.005274 0.000958 0.001244 0.000742 0.000207 -0.006209 -0.015493 -0.013882 -0.050254 -0.240915 -0.001355 0.001051 -0.003635 -0.009171 -0.002849 0.001321 -0.000850 -0.013494 0.001632 0.001986 -0.000713 -0.001808 0.000603 -0.000083 0.011542 -0.006721 -0.006994 0.001391 -0.002180 0.002772 0.006809 -0.004428 -0.000496 0.000827 -0.000134 -0.000845 0.019735 0.027257 0.015350 0.031506 0.421730 0.059534 0.003624 0.000937 -0.007883 0.009765 0.007036 -0.002723 0.000066 -0.002569 0.001384 0.005557 0.000109 0.000229 0.000207 0.003964 0.002485 0.007447 -0.002716 -0.000995 -0.000653 0.011762 0.003465 -0.000399 0.001624 0.000180 0.001486 0.9097 0.4105 -0.0628 0.2241 -0.3578 0.9065 -0.3496 0.8387 0.4175 -0.0379 -0.0082 0.046 -5.081 -1.094 6.175 -1.813 -0.39 2.203 -1.695 -0.365 2.06 1 C 13 0.2012 -0.3543 0.9132 0.8686 0.4955 9.0E-4 -0.4528 0.793 0.4075 -0.0513 0.0182 0.033 -6.877 2.448 4.429 -2.454 0.874 1.58 -2.294 0.817 1.477 2 C 13 0.8162 0.5741 0.0645 0.1931 -0.3764 0.9061 -0.5445 0.7271 0.4181 -0.0378 -0.0081 0.046 -5.076 -1.092 6.169 -1.811 -0.39 2.201 -1.693 -0.364 2.058 3 C 13 0.223 -0.3581 0.9067 0.1681 0.9303 0.3261 0.9602 -0.0797 -0.2676 -0.1011 -0.0123 0.1134 -13.567 -1.652 15.219 -4.841 -0.589 5.43 -4.525 -0.551 5.076 4 C 13 0.8686 0.4954 8.0E-4 0.1954 -0.3441 0.9184 -0.4553 0.7976 0.3957 -0.5678 -0.3843 0.9521 -76.194 -51.572 127.767 -27.188 -18.402 45.59 -25.416 -17.203 42.618 5 C 13 0.193 -0.3748 0.9068 0.8871 -0.3284 -0.3245 0.4194 0.867 0.2691 -0.1011 -0.0123 0.1134 -13.572 -1.65 15.223 -4.843 -0.589 5.432 -4.527 -0.55 5.078 6 C 13 0.348 -0.3819 0.8562 0.8716 -0.2044 -0.4455 0.3451 0.9013 0.2617 -0.0053 -0.0045 0.0098 -2.819 -2.395 5.214 -1.006 -0.854 1.86 -0.94 -0.799 1.739 7 H 1 0.1498 -0.4962 0.8552 0.2673 0.853 0.4482 0.9519 -0.1615 -0.2604 -0.0053 -0.0045 0.0098 -2.818 -2.394 5.212 -1.006 -0.854 1.86 -0.94 -0.798 1.738 8 H 1 -0.0819 0.6139 0.7851 -0.495 0.6587 -0.5667 0.8651 0.435 -0.2499 -0.019 -0.0126 0.0317 -2.551 -1.697 4.248 -0.91 -0.606 1.516 -0.851 -0.566 1.417 9 C 13 -0.3661 0.7208 -0.5885 -0.3952 0.4521 0.7996 0.8425 0.5254 0.1194 -0.0191 0.0016 0.0175 -2.561 0.211 2.35 -0.914 0.075 0.839 -0.854 0.07 0.784 10 C 13 -0.0973 0.7597 -0.643 -0.5069 0.5182 0.6889 0.8565 0.393 0.3346 -0.0107 0.0017 0.009 -1.44 0.228 1.211 -0.514 0.082 0.432 -0.48 0.076 0.404 11 C 13 0.1112 0.7249 0.6798 -0.5301 0.6219 -0.5764 0.8406 0.2962 -0.4535 -0.0039 0.0013 0.0025 -0.519 0.179 0.34 -0.185 0.064 0.121 -0.173 0.06 0.113 12 C 13 -0.3125 0.8835 -0.349 0.4933 0.4649 0.7351 0.8118 0.0576 -0.5812 -0.0114 -0.0082 0.0196 -6.105 -4.379 10.483 -2.178 -1.562 3.741 -2.036 -1.461 3.497 13 H 1 -0.3539 0.4812 0.802 0.871 0.4819 0.0952 -0.3407 0.7322 -0.5897 -0.0035 7.0E-4 0.0029 -0.473 0.089 0.385 -0.169 0.032 0.137 -0.158 0.03 0.128 14 C 13 -0.5109 0.0782 0.8561 -0.4554 0.82 -0.3467 0.7291 0.567 0.3833 -0.0024 -0.002 0.0045 -1.294 -1.084 2.378 -0.462 -0.387 0.849 -0.432 -0.362 0.793 15 H 1 -0.1477 0.7724 -0.6177 -0.2363 0.5789 0.7804 0.9604 0.2612 0.0971 -0.0088 0.0026 0.0062 -1.184 0.353 0.831 -0.423 0.126 0.297 -0.395 0.118 0.277 16 C 13 0.4724 0.0274 0.8809 0.0401 0.9978 -0.0525 0.8805 -0.0601 -0.4703 -0.0015 -0.0013 0.0028 -0.825 -0.678 1.503 -0.295 -0.242 0.536 -0.275 -0.226 0.501 17 H 1 -0.4692 0.3801 0.7971 -0.2874 0.7878 -0.5448 0.835 0.4847 0.2604 -9.0E-4 -7.0E-4 0.0017 -0.505 -0.38 0.885 -0.18 -0.136 0.316 -0.168 -0.127 0.295 18 H 1 -0.2798 0.7875 -0.5491 -0.1752 0.5204 0.8357 0.9439 0.3301 -0.0077 -7.0E-4 -2.0E-4 9.0E-4 -0.38 -0.121 0.5 -0.135 -0.043 0.179 -0.127 -0.04 0.167 19 H 1 -0.4909 0.3845 0.7818 -0.3119 0.7603 -0.5698 0.8135 0.5236 0.2533 -0.019 -0.0126 0.0316 -2.545 -1.696 4.24 -0.908 -0.605 1.513 -0.849 -0.566 1.414 20 C 13 0.6012 -0.4703 0.646 -0.1912 0.7003 0.6878 0.7759 0.537 -0.3311 -0.0107 0.0017 0.009 -1.442 0.23 1.212 -0.515 0.082 0.433 -0.481 0.077 0.404 21 C 13 -0.4321 0.6815 -0.5907 -0.1876 0.5727 0.798 0.8821 0.4556 -0.1196 -0.0192 0.0015 0.0177 -2.577 0.2 2.377 -0.92 0.072 0.848 -0.86 0.067 0.793 22 C 13 -0.2379 0.5498 0.8007 0.859 0.5038 -0.0907 -0.4533 0.6663 -0.5921 -0.0035 7.0E-4 0.0029 -0.474 0.089 0.385 -0.169 0.032 0.137 -0.158 0.03 0.128 23 C 13 0.1896 0.478 0.8576 -0.4725 0.8101 -0.3471 0.8607 0.3394 -0.3794 -0.0024 -0.002 0.0045 -1.291 -1.083 2.375 -0.461 -0.387 0.847 -0.431 -0.361 0.792 24 H 1 0.684 -0.274 -0.6761 -0.276 0.7606 -0.5876 0.6752 0.5885 0.4446 -0.0039 0.0013 0.0025 -0.52 0.18 0.34 -0.186 0.064 0.121 -0.174 0.06 0.114 25 C 13 -0.5996 0.7183 -0.353 -0.6546 -0.1863 0.7327 0.4605 0.6704 0.5819 -0.0115 -0.0082 0.0198 -6.154 -4.396 10.55 -2.196 -1.569 3.765 -2.053 -1.466 3.519 26 H 1 0.5873 -0.5197 0.6205 -0.3803 0.4995 0.7783 0.7145 0.6931 -0.0957 -0.0088 0.0026 0.0062 -1.187 0.354 0.833 -0.424 0.126 0.297 -0.396 0.118 0.278 27 C 13 -0.0925 0.5978 0.7963 -0.5297 0.6476 -0.5477 0.8431 0.4725 -0.2567 -9.0E-4 -7.0E-4 0.0017 -0.505 -0.38 0.885 -0.18 -0.136 0.316 -0.168 -0.127 0.295 28 H 1 -0.2666 -0.3932 0.8799 0.8799 -0.4719 0.0557 0.3934 0.7891 0.4718 -0.0016 -0.0013 0.0028 -0.829 -0.68 1.509 -0.296 -0.243 0.538 -0.276 -0.227 0.503 29 H 1 -0.5336 0.6412 -0.5514 -0.3624 0.4158 0.8342 0.7642 0.6449 0.0105 -7.0E-4 -2.0E-4 9.0E-4 -0.38 -0.121 0.502 -0.136 -0.043 0.179 -0.127 -0.04 0.167 30 H 1 (Enter /opt/software/gaussian/g16/l716.exe) PT38582.700S Fri Aug 8 16:14:21 2025 -10.55728 -10.55723 -10.55230 -10.55070 -10.55068 -10.54988 -10.54984 -10.54963 -10.54963 -10.54908 -10.54905 -10.54830 -10.54829 -0.99675 -0.97551 -0.96106 -0.89808 -0.87485 -0.85194 -0.85142 -0.83132 -0.82291 -0.72848 -0.71829 -0.69645 -0.69521 -0.66458 -0.65986 -0.61937 -0.59583 -0.56763 -0.55437 -0.54949 -0.53192 -0.52551 -0.50604 -0.50254 -0.49917 -0.49524 -0.49222 -0.47899 -0.46177 -0.45094 -0.44026 -0.43606 -0.41759 -0.41024 -0.40973 -0.40261 -0.35610 -0.34033 -0.31872 -0.31561 -0.30955 -0.29725 -0.28059 -0.02576 -0.01425 -0.00352 0.00325 0.00544 0.01074 0.01352 0.01412 0.01666 0.02745 0.02918 0.03086 0.03634 0.04306 0.04691 0.04965 0.05087 0.05370 0.06317 0.06555 0.07245 0.07696 0.08240 0.08873 0.09236 0.10417 0.10665 0.10813 0.11082 0.11322 0.11751 0.12081 0.12448 0.12523 0.12834 0.13114 0.13203 0.13547 0.13828 0.13892 0.14174 0.14604 0.14625 0.14829 0.15113 0.15515 0.15672 0.15723 0.16245 0.16872 0.17114 0.17142 0.17843 0.18662 0.18901 0.19075 0.19237 0.19566 0.19698 0.19951 0.20656 0.20764 0.21109 0.21206 0.21544 0.22146 0.22222 0.23300 0.23348 0.23739 0.24163 0.24297 0.24454 0.25306 0.25316 0.25501 0.25803 0.26051 0.26589 0.27305 0.27383 0.27453 0.28635 0.29332 0.29503 0.30141 0.30536 0.30556 0.31041 0.31116 0.31597 0.31744 0.32508 0.32652 0.32705 0.32921 0.33335 0.34050 0.34860 0.35319 0.35794 0.36509 0.37086 0.37387 0.37670 0.37967 0.38322 0.39371 0.40280 0.40924 0.41483 0.41899 0.44240 0.46739 0.47417 0.52076 0.53232 0.53819 0.54354 0.54966 0.56516 0.56569 0.57266 0.57910 0.58296 0.58578 0.58809 0.59970 0.60282 0.60579 0.60934 0.60947 0.61167 0.61672 0.61685 0.62427 0.62580 0.64354 0.65251 0.65798 0.66181 0.66208 0.67023 0.68219 0.68716 0.68944 0.69157 0.69934 0.70697 0.70752 0.72023 0.72616 0.73241 0.74389 0.74648 0.75888 0.76125 0.76428 0.76547 0.77478 0.78183 0.78273 0.79715 0.80458 0.81025 0.81930 0.82672 0.83512 0.83562 0.84620 0.86424 0.86737 0.87891 0.88288 0.88862 0.89095 0.89127 0.90110 0.90358 0.90717 0.91607 0.91730 0.92571 0.94324 0.94824 0.95441 0.96003 0.96466 0.96588 0.97001 0.99189 0.99658 1.00069 1.00472 1.02032 1.02598 1.02879 1.03147 1.06838 1.07321 1.09007 1.09046 1.09312 1.09866 1.11502 1.13497 1.13983 1.14612 1.15018 1.16758 1.17264 1.18907 1.18963 1.19753 1.20438 1.25122 1.26436 1.28337 1.29859 1.32077 1.35458 1.36076 1.39282 1.50317 1.50953 1.51857 1.52438 1.52920 1.53672 1.54513 1.55274 1.56377 1.56661 1.57199 1.58821 1.59314 1.60033 1.61187 1.61416 1.61547 1.61870 1.63965 1.64143 1.65126 1.67490 1.67822 1.68709 1.69184 1.69966 1.70251 1.72474 1.73729 1.74856 1.75181 1.76608 1.77390 1.78386 1.79023 1.79349 1.81168 1.81721 1.84785 1.85734 1.85794 1.87752 1.87876 1.89338 1.90954 1.92426 1.94194 1.94616 1.95268 1.96184 1.96703 1.97838 1.97916 1.98406 1.98561 1.99016 1.99756 2.01049 2.01432 2.01992 2.04056 2.04423 2.05208 2.06756 2.06775 2.06965 2.10483 2.10737 2.11052 2.11552 2.11627 2.14782 2.18006 2.25873 2.26056 2.29165 2.29934 2.33934 2.34788 2.38135 2.38215 2.39315 2.41972 2.45233 2.45549 2.47376 2.48038 2.48894 2.50908 2.51935 2.52486 2.53504 2.54245 2.57974 2.65351 2.65484 2.67924 2.68684 2.71154 2.71885 2.72474 2.72753 2.72770 2.73188 2.73648 2.74416 2.74812 2.74953 2.75877 2.76200 2.76281 2.78151 2.79093 2.79604 2.80505 2.80673 2.82348 2.82612 2.83449 2.84676 2.85588 2.86635 2.87405 2.90246 2.90797 2.92461 2.94793 2.96172 2.96863 2.97336 2.98358 2.99170 3.00288 3.01362 3.02870 3.07005 3.11032 3.14690 3.15384 3.15590 3.18245 3.25769 3.27359 3.27664 3.29300 3.30670 3.42111 3.43063 3.43983 3.44116 3.44520 3.46836 3.55660 3.56258 3.57231 3.59428 3.59788 3.62908 3.66262 3.69408 3.69455 3.75458 3.83078 3.99269 4.04787 4.04874 4.08649 4.08796 4.10564 4.15891 4.19350 4.20382 4.20415 4.21450 4.47154 4.64467 4.81327 4.86543 4.88034 23.58870 23.75509 23.78284 23.99953 24.03569 24.04132 24.04987 24.04992 24.06367 24.13142 24.14517 24.16088 24.18048 24.18162 24.18644 24.24602 24.27130 24.27228 -10.56972 -10.56965 -10.56595 -10.56355 -10.56354 -10.55660 -10.55653 -10.55256 -10.55075 -10.55073 -10.54985 -10.54981 -10.54961 -10.54961 -10.54906 -10.54903 -10.54832 -10.54830 -0.99029 -0.97510 -0.95863 -0.89606 -0.87110 -0.85154 -0.85132 -0.82125 -0.82083 -0.72557 -0.71208 -0.69542 -0.69498 -0.65765 -0.65671 -0.61477 -0.59465 -0.56341 -0.55016 -0.54417 -0.53089 -0.52494 -0.50380 -0.50039 -0.49673 -0.49445 -0.49160 -0.47287 -0.45234 -0.45057 -0.43761 -0.43387 -0.41567 -0.40921 -0.40657 -0.40067 -0.35649 -0.33647 -0.31615 -0.31570 -0.28632 -0.28020 -0.04842 -0.02577 -0.00620 -0.00316 0.00329 0.00625 0.01164 0.01350 0.01429 0.01673 0.02838 0.02922 0.03245 0.03641 0.04319 0.04899 0.05071 0.05087 0.05372 0.06232 0.06310 0.07045 0.07697 0.08187 0.08892 0.09225 0.10279 0.10669 0.10813 0.11072 0.11236 0.11741 0.12087 0.12449 0.12475 0.12782 0.13063 0.13210 0.13585 0.13826 0.13879 0.14185 0.14592 0.14602 0.14851 0.14969 0.15262 0.15681 0.15689 0.16246 0.16895 0.17137 0.17154 0.17799 0.18749 0.18866 0.19146 0.19247 0.19560 0.19659 0.19983 0.20598 0.20655 0.21009 0.21220 0.21457 0.22096 0.22149 0.23244 0.23317 0.23862 0.24180 0.24439 0.24464 0.25147 0.25375 0.25507 0.25598 0.25967 0.26604 0.27056 0.27320 0.27398 0.28600 0.29569 0.29666 0.30238 0.30588 0.30662 0.30880 0.31047 0.31535 0.31758 0.32325 0.32533 0.32718 0.32826 0.33413 0.34056 0.35021 0.35126 0.35729 0.36657 0.37124 0.37458 0.37701 0.38318 0.38375 0.39547 0.40268 0.40826 0.41549 0.41847 0.44837 0.46825 0.47513 0.52126 0.52446 0.53888 0.54596 0.55208 0.56678 0.56723 0.57151 0.57849 0.58361 0.58651 0.58814 0.59881 0.60217 0.60609 0.60991 0.61016 0.61334 0.61652 0.61794 0.62611 0.62735 0.64262 0.65346 0.65869 0.66227 0.66297 0.67285 0.68183 0.68950 0.69108 0.69200 0.70038 0.70725 0.71246 0.71979 0.72483 0.73283 0.74405 0.74900 0.75876 0.75900 0.76443 0.76547 0.77486 0.78182 0.78392 0.79460 0.80537 0.81074 0.81958 0.83158 0.83572 0.83618 0.84736 0.86452 0.86822 0.87926 0.88442 0.88830 0.89086 0.89196 0.90096 0.90383 0.90700 0.91731 0.91843 0.92695 0.94307 0.94917 0.95203 0.95975 0.96567 0.96593 0.97024 0.99203 0.99984 1.00491 1.00646 1.02088 1.02204 1.02893 1.03793 1.06834 1.07429 1.09035 1.09066 1.09314 1.09952 1.11417 1.13554 1.14038 1.14758 1.15115 1.16832 1.17298 1.18905 1.19102 1.19874 1.20704 1.24970 1.26334 1.29381 1.29991 1.32566 1.35703 1.36079 1.39662 1.50757 1.51203 1.52092 1.52698 1.53561 1.53848 1.54592 1.55301 1.56443 1.56750 1.57795 1.58895 1.59373 1.60116 1.61195 1.61446 1.61581 1.61944 1.64219 1.64362 1.65461 1.68013 1.68106 1.69057 1.69265 1.70021 1.70564 1.72528 1.73988 1.75199 1.75230 1.76678 1.77496 1.78892 1.79064 1.79428 1.81190 1.81733 1.84849 1.86081 1.86191 1.87872 1.88130 1.89409 1.91036 1.92791 1.94302 1.94681 1.95497 1.96327 1.96760 1.98042 1.98049 1.98583 1.98630 1.99079 1.99927 2.01072 2.01548 2.02137 2.04130 2.04616 2.05274 2.06791 2.06848 2.07024 2.10747 2.11001 2.11061 2.11753 2.11857 2.15047 2.18094 2.25908 2.26130 2.29606 2.30402 2.34406 2.34968 2.38158 2.38357 2.39767 2.42120 2.45316 2.45809 2.47448 2.48104 2.49108 2.50885 2.51945 2.52500 2.53641 2.54260 2.58190 2.65355 2.65485 2.67983 2.68707 2.71415 2.72066 2.72481 2.72781 2.72945 2.73190 2.73966 2.74610 2.74823 2.74976 2.75952 2.76219 2.76493 2.78257 2.79097 2.79636 2.80573 2.80763 2.82628 2.82664 2.83461 2.84732 2.85527 2.86646 2.87418 2.90355 2.91016 2.92524 2.94843 2.96463 2.96992 2.97451 2.98526 2.99189 3.00260 3.01598 3.02895 3.06928 3.11091 3.14692 3.15616 3.16148 3.19986 3.25858 3.27400 3.27717 3.29400 3.30962 3.42190 3.43095 3.44044 3.44124 3.44813 3.47070 3.55676 3.56288 3.57485 3.59451 3.59786 3.63164 3.66328 3.69647 3.69683 3.75734 3.83352 3.99501 4.04801 4.04910 4.08636 4.08786 4.10592 4.16024 4.19374 4.20391 4.20441 4.21455 4.47021 4.64633 4.81456 4.86553 4.88114 23.58990 23.75507 23.78361 24.00138 24.03568 24.04161 24.04986 24.04991 24.06376 24.13146 24.14589 24.16087 24.18058 24.18160 24.18978 24.24832 24.27150 24.27227 1.01648084e-01 -1.78173228e-01 -8.80642142e-02 3.15611289e+02 5.56531132e+01 2.49764002e+02 -3.01941784e+01 5.34805845e+01 1.84920261e+02 -7.7353 -0.5927 -0.0006 -0.0006 -0.0003 5.3106 34.9135 39.0911 60.4411 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 34.8777 39.0611 60.4370 100.8753 102.5133 151.1466 237.6828 259.9946 274.9722 331.9353 375.3495 410.6762 412.9565 413.5387 465.8029 518.5594 529.8386 610.0457 617.4817 623.1856 632.9967 636.8327 709.6242 710.3518 714.2816 724.7727 772.6858 785.8164 822.6093 828.7044 870.4412 871.3123 928.8307 949.0243 952.1026 985.5944 1006.9313 1007.8630 1008.4485 1016.7526 1017.7540 1024.1752 1024.3723 1036.3929 1059.1884 1073.3325 1107.8807 1111.4086 1118.5945 1133.6982 1175.1372 1175.7278 1191.6013 1205.9761 1208.0231 1293.4696 1305.1674 1312.4158 1319.9924 1341.5864 1350.0735 1355.8290 1423.6073 1482.1495 1494.0246 1495.0613 1540.7440 1544.1137 1608.2722 1645.4118 1651.2560 1672.3573 1674.1550 1674.4605 3197.0252 3197.4563 3199.6406 3202.2080 3204.3057 3207.5326 3210.8451 3211.9298 3217.6267 3218.0174 3224.0336 3227.0532 3227.3597 3.6758 3.9954 5.2067 4.8026 4.6556 4.3755 5.0777 3.9775 6.1235 5.8376 5.5995 3.6615 2.9099 3.1316 3.9999 4.0490 3.2354 3.9852 7.0160 7.0262 5.9895 6.8220 1.7621 1.8288 3.4161 6.1748 1.4601 1.8796 1.7890 5.5541 1.2512 1.2508 1.3792 1.4244 1.4670 6.8807 1.3649 1.4070 1.4170 5.2973 4.8626 1.2932 1.2924 6.6022 2.3082 1.9320 1.6443 1.4703 1.7086 1.9799 1.1340 1.1328 1.2218 1.1281 1.1754 2.8667 3.4022 4.9072 2.3878 3.1622 1.5795 1.5668 3.2259 2.2975 2.4213 2.5390 2.6009 2.6178 4.8953 6.1661 6.2157 6.9474 6.9305 6.0870 1.0871 1.0868 1.0876 1.0886 1.0875 1.0907 1.0915 1.0915 1.0950 1.0947 1.0968 1.0990 1.0989 0.0026 0.0036 0.0112 0.0288 0.0288 0.0589 0.1690 0.1584 0.2728 0.3790 0.4648 0.3638 0.2924 0.3155 0.5113 0.6415 0.5351 0.8738 1.5761 1.6077 1.4140 1.6301 0.5228 0.5437 1.0269 1.9111 0.5136 0.6838 0.7133 2.2473 0.5586 0.5595 0.7011 0.7559 0.7835 3.9380 0.8154 0.8421 0.8491 3.2265 2.9676 0.7992 0.7990 4.1782 1.5257 1.3113 1.1891 1.0700 1.2596 1.4993 0.9226 0.9226 1.0221 0.9667 1.0106 2.8258 3.4146 4.9800 2.4512 3.3533 1.6962 1.6969 3.8520 2.9737 3.1844 3.3437 3.6377 3.6775 7.4602 9.8357 9.9855 11.4480 11.4448 10.0555 6.5464 6.5464 6.5601 6.5766 6.5787 6.6114 6.6299 6.6344 6.6796 6.6795 6.7172 6.7429 6.7435 0.0089 0.1225 0.6146 3.2320 0.1283 0.4586 0.1598 0.0175 0.1764 0.0538 0.1376 1.6448 0.1143 0.0861 4.1759 0.2094 10.4016 0.0576 26.6660 2.3937 2.3040 2.2629 62.8666 9.1946 11.1155 2.3547 196.9136 8.1210 9.9972 2.8401 0.3137 0.2295 0.9350 4.7762 1.4408 0.6129 0.1640 0.6648 0.4442 0.4755 0.1330 0.0426 0.0529 3.5381 10.9052 1.2825 5.2537 5.6032 13.9857 0.2619 0.0133 0.0065 1.4370 0.0188 0.5514 0.0301 0.7829 0.0262 0.0512 0.3317 2.6563 0.1885 13.4206 19.2120 19.9595 3.7210 10.4268 15.0499 6.1370 4.0638 2.2151 0.8562 19.5763 5.1480 6.6267 2.6518 1.6745 2.3321 0.4041 6.5515 0.5634 3.1416 22.7554 3.4016 15.8100 17.6629 6.2546 0.01 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.03 -0.01 0.01 -0.00 0.03 -0.03 -0.00 -0.00 -0.01 -0.03 0.15 -0.13 0.02 -0.14 0.11 -0.03 0.16 -0.14 -0.04 0.26 -0.23 0.02 -0.13 0.11 0.03 -0.27 0.20 -0.01 0.02 -0.01 -0.04 0.29 -0.24 0.04 -0.25 0.21 -0.01 0.03 -0.02 -0.01 0.00 0.00 -0.08 0.07 -0.08 0.08 -0.08 0.10 -0.07 0.06 -0.05 -0.15 0.13 -0.15 0.09 -0.10 0.13 0.14 -0.14 0.16 0.01 -0.02 0.05 -0.13 0.12 -0.11 0.15 -0.16 0.21 0.02 -0.03 0.07 0.01 0.01 -0.02 -0.01 0.02 -0.08 -0.02 0.02 -0.08 -0.01 0.02 -0.07 -0.01 0.02 -0.06 -0.01 0.02 -0.08 -0.01 0.02 -0.07 -0.01 0.02 -0.07 -0.01 0.01 -0.07 -0.00 0.01 -0.02 0.01 0.09 -0.07 -0.01 -0.09 0.09 0.03 0.07 -0.02 0.02 0.17 -0.16 0.00 -0.11 0.15 -0.03 -0.16 0.13 0.02 -0.03 0.10 0.04 0.14 -0.06 -0.00 -0.19 0.24 0.03 -0.05 0.15 -0.00 0.01 -0.02 0.12 -0.07 0.13 -0.12 0.07 -0.12 0.13 -0.09 0.18 0.22 -0.11 0.20 -0.11 0.05 -0.07 -0.21 0.13 -0.23 0.01 -0.03 0.09 0.23 -0.15 0.30 -0.21 0.10 -0.14 0.02 -0.04 0.13 -0.02 0.03 -0.09 -0.04 0.08 0.06 -0.04 0.06 0.09 -0.05 0.07 0.06 -0.06 0.10 -0.01 -0.07 0.12 -0.03 -0.06 0.10 -0.00 -0.03 0.07 0.10 -0.04 0.06 0.10 -0.06 0.04 -0.03 -0.13 -0.02 -0.01 -0.00 -0.02 -0.04 -0.13 -0.15 -0.00 -0.18 0.04 -0.01 -0.00 -0.16 -0.02 0.04 0.02 -0.05 -0.06 -0.23 0.00 -0.18 -0.20 0.01 0.05 -0.22 -0.03 -0.06 -0.34 0.02 -0.00 0.08 -0.03 0.02 -0.00 -0.04 0.08 0.10 -0.01 0.13 -0.08 -0.03 -0.05 -0.02 -0.06 0.20 0.03 0.01 0.07 0.16 0.00 0.23 -0.07 0.00 0.15 -0.15 -0.04 0.27 0.04 0.03 0.32 -0.12 0.02 -0.02 0.04 0.14 -0.04 0.07 -0.12 -0.06 0.10 -0.21 -0.03 0.05 -0.08 0.03 -0.04 0.15 0.05 -0.08 0.26 0.01 -0.02 0.11 -0.06 0.12 -0.26 -0.05 0.07 -0.18 0.00 -0.04 0.09 -0.07 -0.00 0.03 0.04 -0.07 0.06 -0.09 0.02 -0.07 -0.11 0.03 0.05 0.02 -0.06 -0.03 0.08 -0.09 0.10 -0.05 -0.01 -0.10 -0.15 0.06 -0.12 0.06 -0.08 -0.05 -0.07 0.01 -0.17 0.05 -0.04 0.13 0.04 -0.09 0.08 0.06 0.05 0.06 0.02 -0.04 -0.05 0.04 -0.15 0.12 0.03 0.10 -0.07 0.07 0.09 0.10 0.01 0.06 -0.13 0.00 -0.09 -0.09 0.03 0.18 -0.14 -0.02 0.10 -0.24 -0.11 0.18 -0.41 -0.05 0.08 -0.15 -0.01 -0.02 0.03 0.05 -0.10 0.18 0.06 -0.07 0.12 0.02 0.03 -0.03 -0.03 0.09 -0.16 -0.09 0.13 -0.26 0.08 -0.17 0.32 -0.03 0.11 -0.15 0.01 0.08 -0.11 -0.05 0.06 -0.08 0.05 -0.03 0.04 0.03 0.12 -0.17 -0.02 -0.05 0.07 -0.10 0.09 -0.12 0.03 -0.11 0.14 0.09 -0.07 0.08 -0.04 -0.10 0.14 0.06 -0.22 0.27 0.07 -0.07 0.12 0.02 -0.06 0.06 0.06 -0.04 0.10 -0.06 0.02 -0.06 0.02 -0.09 0.09 -0.01 0.03 -0.02 0.10 -0.06 0.15 -0.08 0.07 -0.11 -0.11 0.04 -0.12 -0.02 0.07 -0.05 -0.15 0.14 -0.22 -0.03 -0.05 0.05 -0.07 0.03 0.14 -0.10 -0.05 -0.00 -0.01 -0.07 -0.14 0.09 -0.04 -0.09 0.10 0.05 0.00 0.01 0.10 0.09 -0.12 0.03 0.25 -0.03 -0.12 -0.26 0.00 0.14 0.06 -0.09 0.11 0.04 0.08 0.10 0.00 -0.11 -0.03 0.00 -0.17 0.17 0.06 0.07 -0.04 -0.03 0.15 0.16 -0.00 -0.02 -0.12 -0.01 -0.19 -0.08 -0.00 0.15 -0.09 -0.06 -0.02 -0.24 -0.02 0.12 -0.07 -0.06 0.13 0.02 -0.00 0.04 -0.14 -0.04 0.00 0.08 0.03 0.21 0.05 0.01 -0.09 -0.08 -0.00 0.06 -0.23 -0.06 -0.12 0.05 0.01 -0.01 0.17 0.07 -0.16 -0.12 -0.00 -0.22 0.11 0.02 -0.18 -0.10 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.05 0.09 0.05 -0.09 0.23 0.04 -0.02 0.09 -0.03 0.04 -0.09 -0.02 0.04 -0.08 0.05 0.12 -0.04 0.03 0.17 -0.08 0.09 0.15 -0.10 0.05 0.03 -0.01 0.01 0.22 -0.11 0.11 0.01 -0.03 0.12 0.22 -0.13 0.11 -0.12 0.07 0.02 -0.00 -0.01 0.13 -0.03 -0.01 0.13 -0.30 0.18 -0.13 0.02 -0.04 -0.17 0.00 -0.10 -0.16 0.06 -0.08 -0.06 -0.09 -0.03 -0.25 0.01 -0.14 -0.05 -0.03 -0.01 -0.20 0.10 -0.12 0.05 -0.16 0.07 -0.04 -0.12 -0.01 -0.01 -0.02 -0.00 0.19 -0.27 0.18 -0.02 0.03 -0.09 0.05 -0.14 0.21 0.01 0.01 0.00 -0.09 0.12 -0.21 -0.07 0.04 -0.03 -0.05 -0.03 -0.00 0.00 -0.08 0.03 0.11 -0.21 0.39 -0.13 0.21 -0.39 -0.01 -0.01 -0.10 0.03 0.05 -0.12 -0.05 0.05 -0.11 0.07 0.01 -0.01 0.07 0.06 -0.18 -0.03 0.02 -0.01 -0.08 0.06 -0.14 0.04 -0.05 0.08 0.11 0.01 0.01 -0.07 0.03 0.03 0.07 -0.13 0.20 -0.02 -0.01 0.10 0.01 -0.07 0.11 0.05 0.00 0.12 0.00 -0.04 0.00 0.01 -0.11 0.14 0.04 0.05 0.01 0.08 0.03 0.18 -0.02 0.06 -0.08 -0.01 -0.08 -0.03 0.06 0.09 -0.01 -0.07 0.12 -0.20 0.06 0.03 0.00 -0.03 0.10 0.01 -0.04 0.08 -0.00 -0.07 0.07 0.02 -0.10 0.07 -0.04 -0.11 0.20 -0.18 -0.01 0.13 -0.04 -0.02 0.07 0.14 -0.04 0.05 0.15 0.09 0.05 0.09 0.09 0.01 0.11 0.20 -0.02 0.06 0.07 0.01 0.00 0.08 -0.00 0.14 0.20 -0.03 -0.04 0.29 0.01 0.09 0.14 0.03 -0.11 -0.01 -0.00 -0.03 0.23 -0.04 -0.07 0.12 0.08 -0.22 -0.08 -0.05 0.08 -0.09 -0.18 0.06 -0.06 -0.08 0.11 -0.08 -0.18 -0.04 -0.15 -0.24 0.08 -0.05 -0.06 -0.00 -0.04 -0.07 0.14 -0.10 -0.11 -0.11 -0.08 -0.21 -0.07 0.01 0.00 -0.03 -0.12 -0.07 -0.21 -0.03 0.05 0.05 0.25 0.10 0.02 0.27 0.15 0.00 0.21 0.16 -0.01 0.04 0.04 -0.02 0.05 0.03 0.00 0.05 0.02 0.02 0.34 0.05 -0.03 0.22 0.27 0.03 -0.03 0.02 0.02 -0.12 0.03 -0.01 -0.09 0.05 0.03 -0.13 -0.01 0.03 -0.17 0.08 0.00 -0.11 0.05 0.03 -0.12 0.03 0.03 -0.16 -0.02 0.06 -0.11 -0.02 0.05 -0.09 0.05 -0.00 -0.15 -0.06 0.09 0.00 -0.03 -0.02 0.00 -0.11 -0.04 -0.04 -0.12 0.01 -0.02 -0.12 -0.03 -0.03 -0.12 -0.04 -0.08 -0.11 -0.03 -0.02 -0.19 -0.01 -0.09 -0.12 -0.06 -0.00 -0.10 0.00 -0.07 -0.08 -0.05 -0.13 -0.10 -0.08 0.27 0.16 0.00 -0.05 0.14 0.05 -0.05 0.09 0.13 -0.10 0.11 0.05 -0.08 0.08 0.06 -0.04 0.08 0.30 -0.03 0.11 0.06 -0.09 0.19 -0.03 -0.12 0.18 -0.03 -0.03 -0.07 -0.13 0.09 -0.11 -0.08 -0.04 -0.12 -0.09 0.13 -0.00 -0.02 0.19 -0.20 -0.11 -0.02 -0.04 0.01 -0.11 -0.16 -0.08 0.08 0.06 -0.01 0.21 0.01 -0.00 -0.11 -0.04 0.11 0.08 0.15 0.01 0.08 -0.01 -0.13 0.12 -0.02 -0.09 0.05 -0.13 -0.09 0.05 0.00 0.01 0.19 0.01 -0.08 -0.06 -0.12 -0.02 0.07 -0.26 -0.12 -0.09 -0.03 -0.01 0.08 0.07 0.11 -0.11 -0.17 -0.00 -0.17 0.01 0.01 -0.05 0.08 0.15 -0.00 0.06 0.12 -0.03 -0.02 -0.00 0.05 -0.03 -0.12 0.12 -0.07 0.06 0.09 0.05 -0.00 -0.00 0.14 -0.06 -0.03 0.04 0.27 0.02 -0.05 -0.27 -0.02 0.05 -0.11 0.01 -0.02 -0.06 -0.02 -0.13 0.06 0.04 -0.11 0.07 0.03 -0.03 -0.07 -0.04 0.01 -0.01 -0.03 -0.29 0.16 -0.02 0.09 -0.05 0.10 -0.23 0.19 -0.06 0.03 0.00 -0.04 0.20 -0.11 0.03 -0.04 0.11 -0.13 0.06 -0.07 -0.01 0.01 0.07 -0.00 -0.05 0.02 -0.29 0.14 -0.18 -0.08 0.10 -0.08 0.01 0.02 0.10 0.06 -0.06 0.05 0.01 -0.09 0.02 -0.16 0.22 -0.21 0.15 -0.13 0.11 -0.12 -0.07 0.00 0.00 -0.02 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.02 0.00 -0.00 -0.01 -0.03 0.01 0.00 0.04 0.00 -0.00 0.02 0.01 -0.09 0.09 -0.02 0.11 -0.08 -0.03 0.10 -0.08 0.03 -0.20 0.18 0.02 -0.09 0.08 -0.03 0.25 -0.18 -0.00 -0.01 0.01 -0.06 0.23 -0.19 0.04 -0.20 0.16 -0.00 -0.03 0.01 -0.01 0.01 -0.01 -0.09 0.08 -0.10 0.10 -0.08 0.11 0.10 -0.08 0.11 -0.20 0.18 -0.21 -0.09 0.08 -0.10 0.22 -0.19 0.24 -0.00 0.01 -0.00 0.22 -0.17 0.23 -0.19 0.17 -0.21 -0.01 0.02 -0.01 0.02 -0.01 0.01 -0.01 -0.03 -0.07 -0.00 0.00 -0.00 -0.04 0.01 0.07 -0.06 0.04 -0.03 -0.05 -0.03 0.00 -0.00 -0.07 0.03 0.00 -0.02 -0.15 -0.02 0.01 0.15 0.01 -0.03 0.06 -0.02 0.16 -0.09 0.04 -0.08 0.09 0.01 -0.09 0.08 -0.07 0.35 -0.24 0.00 0.14 -0.12 0.08 -0.18 0.18 0.02 -0.05 0.02 0.01 -0.20 0.16 -0.02 0.30 -0.27 0.03 -0.10 0.05 -0.02 0.02 -0.06 -0.02 0.05 -0.06 0.10 -0.08 0.06 0.09 -0.05 0.09 -0.05 0.11 -0.12 -0.04 0.03 -0.05 0.20 -0.18 0.17 -0.03 0.04 -0.02 0.19 -0.12 0.21 -0.11 0.06 -0.10 -0.07 0.07 -0.05 0.04 0.03 -0.00 -0.02 0.01 -0.14 0.06 -0.11 0.20 0.00 0.02 -0.14 -0.01 0.02 -0.13 0.07 -0.13 0.16 -0.02 0.02 -0.13 -0.02 0.03 -0.24 -0.02 0.04 -0.23 -0.01 0.14 -0.06 -0.01 0.02 0.05 0.03 0.01 0.06 -0.02 -0.05 0.05 -0.03 -0.05 0.14 0.03 -0.04 0.04 0.06 -0.08 0.13 -0.03 0.06 -0.07 -0.03 -0.16 0.12 0.08 -0.15 0.09 -0.04 0.11 -0.14 -0.12 0.07 -0.06 -0.03 -0.02 0.05 -0.01 0.02 0.05 0.02 -0.05 0.04 0.03 -0.09 0.13 0.05 -0.01 0.05 0.06 -0.01 0.14 -0.04 0.06 -0.07 0.09 -0.15 0.09 0.15 -0.05 0.12 -0.08 0.10 -0.15 0.12 -0.21 0.47 0.04 -0.16 -0.03 0.05 0.03 -0.00 -0.11 0.12 0.03 -0.09 0.02 0.14 -0.12 -0.07 -0.00 -0.03 -0.09 -0.13 0.15 -0.23 0.00 -0.12 0.25 -0.00 -0.01 0.17 -0.06 -0.01 0.07 0.06 0.04 0.06 0.05 -0.02 -0.05 0.06 -0.03 -0.04 0.19 0.05 -0.05 0.04 0.12 -0.04 0.16 -0.02 0.06 -0.08 -0.06 -0.21 0.17 0.12 -0.21 0.12 -0.03 0.07 -0.14 0.14 -0.10 0.06 0.07 0.00 -0.05 0.05 -0.04 -0.06 -0.02 0.07 -0.04 0.02 0.12 -0.16 -0.06 0.00 -0.06 -0.05 -0.01 -0.19 0.05 -0.05 0.08 -0.12 0.21 -0.12 -0.21 0.06 -0.17 0.05 -0.06 0.14 0.21 0.12 -0.00 -0.02 0.06 -0.12 0.03 -0.06 0.16 -0.04 0.05 -0.12 -0.02 0.03 -0.07 -0.01 0.01 0.04 -0.02 0.03 -0.07 -0.03 0.07 -0.11 -0.04 0.07 -0.12 0.03 -0.14 0.12 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.01 0.06 -0.05 -0.03 0.14 -0.10 -0.01 0.06 -0.05 -0.02 0.13 -0.09 0.02 -0.09 0.07 -0.04 0.23 -0.19 -0.04 0.23 -0.19 0.02 -0.12 0.10 0.10 -0.09 0.12 0.01 -0.01 0.02 0.01 -0.01 0.01 -0.05 0.04 -0.05 -0.11 0.08 -0.10 -0.05 0.04 -0.06 -0.11 0.09 -0.11 0.07 -0.06 0.07 -0.18 0.15 -0.19 -0.17 0.15 -0.20 0.09 -0.08 0.10 0.09 -0.16 0.44 -0.03 0.00 -0.05 -0.02 -0.01 0.00 -0.01 -0.02 0.04 -0.03 0.13 -0.26 0.03 0.02 0.00 0.10 -0.10 0.26 -0.11 0.12 -0.33 0.05 -0.16 0.33 0.02 0.04 -0.10 -0.05 -0.02 -0.09 0.02 0.01 -0.07 -0.01 -0.04 0.05 -0.01 -0.17 0.02 0.04 -0.01 0.07 -0.05 -0.16 0.02 -0.04 0.08 -0.02 0.10 -0.18 0.21 0.06 -0.18 0.22 -0.04 0.01 -0.02 0.05 -0.01 0.10 0.02 0.01 0.07 -0.04 -0.03 0.09 0.01 0.04 -0.07 -0.16 0.04 -0.03 -0.04 0.01 -0.05 -0.15 0.08 -0.02 0.05 -0.08 0.02 -0.12 0.14 -0.22 -0.11 0.18 -0.21 -0.01 -0.04 0.02 -0.01 -0.01 0.00 -0.07 -0.16 -0.04 -0.09 -0.06 -0.00 -0.17 0.02 0.04 0.10 0.16 0.09 0.12 0.08 0.00 0.20 0.01 -0.09 -0.18 -0.11 0.06 -0.19 -0.10 -0.06 0.21 -0.01 -0.01 0.05 -0.08 -0.08 -0.00 0.09 0.15 0.00 -0.10 -0.15 -0.12 0.03 0.01 -0.05 0.07 0.06 -0.15 0.09 0.08 -0.21 -0.04 0.05 0.14 0.00 -0.17 0.10 0.06 -0.11 -0.19 0.03 0.10 0.10 0.18 0.01 0.08 -0.05 -0.14 -0.04 0.08 0.07 0.03 -0.08 -0.06 0.00 -0.18 -0.08 -0.08 0.06 0.15 -0.03 -0.11 -0.01 -0.14 -0.15 -0.04 0.09 0.06 0.11 0.07 0.12 0.17 -0.07 -0.18 -0.10 0.08 0.04 -0.00 -0.12 -0.04 0.02 -0.11 0.19 0.09 0.09 0.09 0.02 0.12 0.07 0.01 0.11 -0.18 -0.09 -0.12 -0.07 0.00 0.04 -0.13 -0.03 0.08 -0.10 -0.03 -0.10 0.04 0.09 0.15 0.11 0.11 -0.13 0.02 0.05 0.13 -0.03 -0.08 0.16 0.11 0.09 -0.16 -0.13 -0.13 0.05 0.08 0.09 0.10 -0.05 -0.08 -0.06 -0.09 -0.12 -0.18 -0.11 -0.12 0.14 0.09 0.09 0.02 0.11 0.08 0.05 0.12 0.05 -0.17 -0.06 0.11 0.19 0.07 -0.12 -0.09 -0.01 0.08 -0.04 -0.12 -0.07 -0.18 -0.09 0.09 -0.01 -0.12 -0.08 0.19 0.10 -0.11 0.10 0.01 -0.11 -0.15 -0.08 0.08 -0.11 0.19 0.08 -0.01 -0.06 -0.00 -0.02 -0.01 0.00 -0.05 0.02 0.00 0.04 -0.01 0.13 0.00 -0.00 -0.00 0.01 0.03 -0.13 0.01 -0.10 0.13 -0.08 0.05 -0.14 0.03 -0.07 -0.05 -0.17 -0.12 -0.06 0.14 -0.09 -0.09 -0.15 0.11 0.12 -0.13 -0.08 -0.14 0.19 0.13 0.08 0.01 -0.07 -0.16 -0.02 0.03 0.10 -0.04 0.23 0.08 0.13 0.24 0.05 -0.07 -0.13 -0.14 -0.04 0.06 0.05 0.00 0.16 0.08 -0.18 -0.08 0.06 0.21 0.09 -0.08 -0.05 0.04 0.15 0.01 -0.18 -0.11 -0.13 -0.08 0.14 0.01 -0.03 -0.10 0.27 -0.00 -0.04 0.18 -0.14 -0.07 -0.15 -0.00 0.13 0.03 0.02 0.00 -0.11 -0.04 -0.02 -0.08 0.14 0.09 0.09 0.07 -0.01 0.12 0.06 0.01 0.10 -0.17 -0.12 -0.11 -0.07 0.01 0.05 -0.12 -0.09 0.08 -0.10 -0.09 -0.13 -0.04 -0.02 -0.13 -0.02 0.01 0.07 -0.13 -0.16 -0.09 0.13 0.17 0.01 -0.08 -0.10 0.13 0.03 -0.00 0.08 -0.12 -0.15 0.13 0.04 0.03 -0.12 0.14 0.16 -0.02 0.10 0.11 0.09 -0.10 -0.13 0.11 0.09 -0.03 0.08 -0.13 -0.17 0.10 0.11 0.01 -0.10 -0.11 0.00 0.07 -0.14 -0.16 -0.07 0.16 0.18 0.07 -0.05 -0.11 -0.10 -0.09 0.03 -0.09 0.07 0.11 -0.06 0.18 0.17 0.05 -0.13 -0.14 -0.08 0.13 0.13 -0.01 0.01 -0.02 0.00 -0.01 0.06 -0.00 0.01 -0.02 0.01 -0.03 0.06 -0.01 0.02 -0.07 0.01 -0.03 0.06 -0.04 0.07 -0.22 -0.05 0.07 -0.23 0.00 0.04 -0.04 0.01 -0.03 0.01 0.01 -0.02 0.03 -0.01 0.05 -0.06 0.04 -0.22 0.18 -0.01 0.06 -0.04 0.02 -0.22 0.18 -0.00 -0.03 0.02 0.03 -0.09 0.06 0.03 -0.09 0.07 0.04 -0.24 0.21 -0.05 0.03 -0.05 0.02 -0.02 0.04 0.03 -0.03 0.02 -0.06 0.05 -0.06 0.24 -0.18 0.24 -0.05 0.04 -0.07 0.23 -0.19 0.24 0.03 -0.02 0.03 0.08 -0.09 0.08 0.08 -0.08 0.08 0.25 -0.21 0.27 -0.03 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.01 0.05 0.00 -0.01 -0.00 0.01 -0.07 0.06 -0.01 0.04 -0.04 -0.01 0.05 -0.04 0.02 -0.09 0.07 -0.06 0.31 -0.26 0.02 -0.09 0.07 -0.05 0.32 -0.25 -0.01 0.05 -0.04 -0.01 0.09 -0.07 -0.02 0.09 -0.07 -0.07 0.35 -0.29 -0.04 0.04 -0.04 0.03 -0.02 0.03 0.02 -0.02 0.04 -0.05 0.05 -0.06 0.19 -0.16 0.20 -0.05 0.05 -0.05 0.18 -0.16 0.21 0.03 -0.03 0.03 0.05 -0.04 0.05 0.06 -0.04 0.06 0.21 -0.19 0.22 0.00 -0.01 0.01 -0.01 0.04 -0.09 0.03 -0.06 0.15 -0.03 0.03 -0.09 0.04 -0.07 0.17 -0.05 0.09 -0.17 0.04 -0.07 0.17 -0.11 0.19 -0.49 -0.11 0.19 -0.49 0.01 -0.05 0.04 -0.00 0.05 -0.05 -0.02 0.05 -0.05 0.02 -0.06 0.04 -0.01 0.11 -0.10 -0.00 -0.06 0.04 -0.04 0.10 -0.09 -0.00 0.06 -0.05 0.02 -0.09 0.06 -0.00 -0.09 0.07 -0.01 0.12 -0.08 0.04 -0.03 0.05 -0.03 0.04 -0.05 -0.04 0.03 -0.05 0.06 -0.03 0.04 -0.07 0.09 -0.10 0.04 -0.05 0.04 -0.09 0.07 -0.11 -0.05 0.03 -0.05 0.08 -0.04 0.07 0.06 -0.06 0.06 -0.11 0.08 -0.09 -0.01 0.02 -0.07 -0.14 -0.01 0.03 -0.16 0.28 0.14 0.08 0.12 0.03 0.05 -0.01 -0.01 0.09 -0.15 -0.09 -0.02 -0.04 -0.01 0.00 -0.08 -0.02 0.07 -0.05 -0.02 0.13 -0.01 -0.03 0.02 -0.09 -0.12 0.07 0.08 0.07 0.02 -0.11 -0.10 -0.08 0.01 -0.11 0.08 0.08 0.11 -0.07 0.11 -0.01 -0.16 0.00 0.04 0.21 0.03 -0.13 0.22 0.09 -0.06 -0.17 0.09 -0.04 -0.06 -0.12 -0.03 -0.10 -0.03 0.07 0.07 -0.07 -0.12 -0.11 -0.03 0.11 -0.06 0.11 -0.00 0.08 -0.07 -0.10 0.04 0.07 -0.10 0.08 0.14 0.04 -0.19 -0.15 -0.06 -0.14 -0.17 -0.13 0.02 0.19 -0.04 -0.16 0.28 0.15 -0.01 0.02 -0.03 -0.02 0.03 -0.03 -0.01 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.07 -0.11 0.31 0.06 -0.12 0.30 0.01 -0.07 0.06 -0.01 0.03 -0.04 -0.00 0.04 -0.03 0.00 0.00 -0.00 0.01 -0.07 0.05 -0.00 0.01 0.00 0.02 -0.07 0.05 -0.01 0.05 -0.04 0.05 -0.24 0.20 0.04 -0.24 0.20 0.04 -0.23 0.19 0.05 -0.05 0.06 -0.03 0.02 -0.03 -0.02 0.02 -0.04 -0.00 0.00 0.00 0.05 -0.05 0.05 -0.00 -0.00 -0.00 0.05 -0.04 0.05 -0.04 0.04 -0.04 0.18 -0.16 0.20 0.17 -0.17 0.20 0.17 -0.14 0.19 0.07 -0.12 0.36 0.00 -0.03 -0.00 0.01 0.00 -0.00 -0.03 0.02 0.00 -0.01 0.04 -0.05 0.01 0.01 0.00 0.03 -0.02 0.05 -0.02 0.01 -0.13 0.00 -0.02 0.14 -0.03 0.11 -0.09 0.01 -0.03 0.05 -0.00 -0.05 0.03 -0.00 0.01 0.01 -0.00 0.05 -0.03 -0.01 -0.02 -0.01 -0.01 0.04 -0.04 0.03 -0.06 0.05 -0.08 0.29 -0.23 -0.08 0.29 -0.24 -0.04 0.29 -0.24 0.08 -0.08 0.09 -0.05 0.03 -0.03 -0.03 0.02 -0.05 -0.02 -0.00 0.01 0.03 -0.03 0.04 0.00 -0.01 -0.01 0.04 -0.03 0.03 -0.04 0.05 -0.05 0.21 -0.22 0.24 0.21 -0.22 0.23 0.23 -0.18 0.24 0.05 0.03 0.00 -0.02 0.03 -0.09 -0.00 0.01 -0.05 -0.02 0.03 -0.09 0.02 -0.04 0.11 -0.01 0.02 -0.04 0.03 -0.04 0.11 0.07 -0.13 0.37 0.08 -0.13 0.37 -0.01 0.07 -0.05 0.00 -0.01 0.01 -0.00 -0.02 0.01 0.01 -0.00 -0.00 0.01 -0.03 0.02 -0.01 -0.01 0.00 0.01 -0.02 0.01 0.00 -0.03 0.03 -0.01 0.12 -0.10 -0.04 0.13 -0.10 -0.03 0.17 -0.11 -0.05 0.04 -0.05 0.02 -0.01 0.01 0.01 -0.01 0.01 0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.00 0.02 -0.02 0.02 0.02 -0.02 0.03 -0.09 0.10 -0.11 -0.09 0.07 -0.10 -0.13 0.11 -0.12 0.13 -0.23 0.58 -0.02 -0.15 -0.06 -0.03 -0.02 -0.00 -0.14 0.06 0.06 0.15 0.16 0.04 0.20 0.12 0.00 0.21 0.05 -0.04 -0.12 -0.11 0.02 -0.16 -0.04 -0.02 0.01 -0.04 0.04 -0.04 0.06 0.07 -0.08 -0.07 -0.08 -0.06 0.09 0.13 0.01 0.08 0.01 -0.12 -0.09 -0.09 -0.05 -0.07 -0.08 0.10 0.02 -0.04 -0.22 -0.04 0.16 -0.27 -0.12 0.10 0.12 -0.10 0.08 -0.03 0.03 -0.04 -0.10 -0.03 0.09 0.04 -0.06 -0.07 -0.14 -0.06 0.09 -0.08 -0.01 0.08 0.05 -0.10 -0.13 0.07 -0.04 -0.01 0.07 0.07 0.04 -0.24 -0.17 -0.10 -0.14 -0.17 -0.16 -0.03 0.16 -0.08 0.26 0.15 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.03 0.02 -0.00 0.03 -0.02 0.01 -0.03 0.02 -0.03 0.19 -0.16 -0.00 0.03 -0.02 0.03 -0.19 0.15 0.00 -0.00 -0.00 -0.03 0.17 -0.14 0.04 -0.18 0.14 0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 -0.04 0.04 -0.04 0.04 -0.04 0.04 -0.03 0.04 -0.28 0.23 -0.28 -0.04 0.03 -0.04 0.27 -0.22 0.29 -0.00 0.00 0.00 -0.24 0.21 -0.26 0.24 -0.21 0.26 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -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 -0.02 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.05 -0.04 0.01 -0.05 0.04 -0.01 0.05 -0.04 0.06 -0.34 0.28 0.01 -0.05 0.04 -0.06 0.35 -0.28 -0.00 0.00 0.00 0.06 -0.32 0.26 -0.06 0.32 -0.26 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.02 0.02 -0.02 0.02 -0.02 0.02 -0.02 0.02 -0.15 0.13 -0.16 -0.02 0.02 -0.02 0.15 -0.12 0.16 -0.00 0.00 -0.00 -0.13 0.12 -0.14 0.14 -0.12 0.15 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.02 0.04 -0.11 0.00 0.00 -0.00 0.02 -0.04 0.11 -0.01 0.02 -0.04 0.00 0.00 -0.00 0.01 -0.01 0.04 0.13 -0.21 0.59 -0.12 0.22 -0.59 0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.02 -0.11 0.09 -0.01 -0.01 0.00 0.04 -0.12 0.09 0.00 -0.02 0.02 0.00 0.03 -0.02 -0.02 0.03 -0.02 -0.02 0.13 -0.09 0.00 0.00 0.00 0.01 -0.01 0.02 0.01 -0.01 0.02 -0.01 -0.00 -0.00 -0.08 0.09 -0.09 -0.00 0.00 -0.00 -0.09 0.07 -0.09 -0.02 0.01 -0.02 0.01 -0.03 0.02 0.03 -0.01 0.02 0.10 -0.09 0.09 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.03 0.01 -0.01 -0.01 0.00 -0.00 0.02 -0.03 0.02 0.01 0.00 0.03 0.03 -0.01 0.04 -0.03 0.01 -0.05 0.04 0.01 -0.05 0.04 0.00 0.00 -0.01 -0.05 0.29 -0.24 -0.00 0.01 -0.01 -0.04 0.30 -0.23 -0.01 0.05 -0.04 0.01 -0.03 0.03 0.00 -0.04 0.03 0.05 -0.28 0.24 -0.03 0.03 -0.03 0.05 -0.04 0.05 0.05 -0.04 0.05 -0.00 0.01 -0.01 -0.26 0.21 -0.26 -0.01 0.00 -0.01 -0.25 0.21 -0.27 -0.04 0.04 -0.04 0.04 -0.03 0.04 0.02 -0.03 0.03 0.23 -0.20 0.26 0.02 -0.03 0.05 -0.01 0.01 -0.04 0.01 0.00 -0.00 0.01 -0.01 0.04 -0.01 0.01 -0.03 -0.01 -0.01 -0.00 -0.00 -0.01 0.04 0.05 -0.08 0.22 -0.05 0.09 -0.22 -0.01 0.05 -0.04 0.01 -0.06 0.05 0.01 -0.06 0.04 0.00 0.00 -0.01 -0.05 0.30 -0.25 -0.00 0.01 -0.00 -0.03 0.32 -0.24 -0.02 0.05 -0.04 0.02 -0.03 0.03 0.00 -0.02 0.02 0.05 -0.28 0.25 0.03 -0.03 0.03 -0.04 0.04 -0.04 -0.04 0.03 -0.04 0.00 -0.01 0.00 0.23 -0.17 0.22 0.00 0.00 0.01 0.21 -0.18 0.23 0.03 -0.04 0.03 -0.02 0.02 -0.02 -0.01 0.03 -0.02 -0.20 0.17 -0.22 0.02 0.01 0.00 -0.16 -0.31 -0.09 -0.08 0.14 0.08 0.35 -0.01 -0.09 -0.02 -0.10 -0.04 -0.19 0.34 0.18 0.10 -0.03 -0.04 -0.03 -0.39 -0.11 0.35 -0.17 -0.12 0.07 0.00 -0.03 -0.02 -0.01 -0.01 -0.01 -0.00 0.03 -0.02 0.02 0.06 -0.06 0.01 0.02 -0.04 -0.02 -0.04 -0.04 0.08 -0.04 0.04 0.01 -0.02 -0.08 0.11 -0.02 -0.06 -0.09 0.03 0.05 -0.05 0.02 -0.04 -0.06 -0.03 0.01 0.01 0.03 0.02 0.02 -0.01 0.04 0.03 -0.04 -0.05 0.08 -0.04 -0.01 0.03 0.07 0.02 0.05 0.02 -0.03 -0.03 -0.02 0.11 0.00 0.03 -0.06 0.13 -0.02 0.01 -0.07 0.02 -0.09 0.15 0.02 0.02 -0.03 0.07 -0.03 0.05 -0.11 0.01 -0.03 0.07 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.06 0.14 -0.41 -0.08 0.12 -0.41 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.03 0.00 -0.01 0.00 -0.02 -0.03 0.05 0.02 -0.00 -0.01 -0.00 -0.03 0.03 0.00 0.04 -0.04 0.02 -0.01 -0.01 0.00 -0.01 0.00 -0.02 0.02 0.01 0.02 -0.00 -0.00 0.01 -0.01 0.01 0.06 -0.02 0.07 -0.01 0.01 -0.00 -0.03 0.03 -0.06 -0.01 -0.02 -0.01 -0.06 0.04 -0.07 0.05 -0.03 0.06 -0.00 -0.03 -0.01 0.14 -0.24 0.68 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.05 0.01 -0.03 0.04 0.00 0.00 -0.00 0.00 0.05 -0.02 0.01 -0.05 0.01 0.01 -0.04 0.03 0.04 -0.18 0.18 -0.01 0.04 -0.03 -0.02 0.19 -0.17 -0.02 0.00 0.00 -0.04 0.22 -0.19 0.03 -0.21 0.18 -0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.05 0.05 -0.02 0.06 -0.03 0.03 0.05 -0.04 0.05 0.22 -0.17 0.25 -0.05 0.04 -0.05 -0.21 0.19 -0.26 -0.01 -0.02 -0.01 -0.25 0.21 -0.27 0.25 -0.22 0.28 -0.01 -0.02 -0.01 -0.01 0.03 -0.07 0.00 -0.00 0.02 -0.00 0.00 -0.03 -0.00 -0.00 0.02 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.03 0.05 -0.08 -0.02 0.05 -0.08 -0.01 -0.00 0.00 0.01 0.07 -0.03 0.02 -0.07 0.02 0.01 -0.07 0.04 0.06 -0.28 0.27 -0.01 0.06 -0.04 -0.04 0.27 -0.25 -0.03 0.00 0.01 -0.06 0.32 -0.28 0.06 -0.31 0.27 -0.03 0.00 0.01 0.01 0.00 0.00 0.03 -0.03 0.01 -0.04 0.02 -0.02 -0.04 0.02 -0.03 -0.13 0.11 -0.16 0.03 -0.03 0.02 0.13 -0.13 0.17 0.01 0.01 0.01 0.16 -0.14 0.18 -0.15 0.13 -0.18 0.00 0.02 -0.00 0.04 -0.06 0.14 0.00 0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.00 -0.00 -0.03 0.02 0.00 -0.01 -0.15 -0.13 -0.16 -0.06 0.14 0.21 -0.00 0.01 0.07 -0.09 -0.28 -0.11 -0.03 -0.02 -0.05 0.00 0.28 0.15 0.22 0.01 -0.05 0.03 0.18 -0.05 0.03 -0.12 -0.02 0.23 -0.04 -0.02 0.01 0.02 0.01 0.08 -0.12 -0.21 -0.19 -0.06 0.16 -0.04 -0.02 0.05 0.24 -0.14 -0.15 0.01 -0.01 -0.06 -0.28 0.07 0.12 0.11 0.18 0.05 -0.09 0.09 0.01 0.16 -0.05 0.04 0.09 0.21 0.03 -0.02 -0.01 -0.00 0.02 0.06 -0.00 0.01 -0.02 0.03 -0.06 0.01 -0.00 -0.01 -0.01 0.00 0.04 -0.06 -0.03 0.01 0.00 0.00 -0.00 0.04 0.15 -0.03 0.02 0.14 0.03 0.00 -0.01 -0.14 -0.12 -0.16 -0.06 0.12 0.20 -0.01 0.02 0.07 -0.07 -0.29 -0.09 -0.04 -0.02 -0.06 0.01 0.28 0.12 0.20 0.00 -0.04 0.03 0.18 -0.04 0.03 -0.16 0.01 0.20 -0.01 -0.03 -0.02 -0.03 -0.01 -0.07 0.11 0.20 0.18 0.06 -0.16 0.04 0.02 -0.06 -0.25 0.14 0.12 -0.02 0.02 0.07 0.28 -0.08 -0.10 -0.10 -0.17 -0.04 0.13 -0.11 0.02 -0.16 0.05 -0.02 -0.11 -0.17 -0.05 -0.03 0.06 -0.16 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 0.01 0.01 -0.02 0.03 -0.01 0.06 -0.05 -0.03 0.17 -0.15 -0.01 0.06 -0.05 -0.02 0.20 -0.14 0.02 -0.08 0.06 0.08 -0.38 0.31 0.07 -0.40 0.32 -0.07 0.45 -0.37 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.02 0.02 -0.02 -0.01 0.02 -0.02 0.02 -0.02 0.03 0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.03 -0.02 -0.00 0.02 -0.02 0.01 -0.03 0.02 -0.00 -0.00 -0.00 -0.02 0.02 -0.02 -0.02 0.01 -0.02 0.05 -0.04 0.05 0.15 -0.11 0.14 0.05 -0.04 0.05 0.13 -0.12 0.15 -0.06 0.05 -0.06 -0.30 0.25 -0.32 -0.29 0.26 -0.32 0.35 -0.30 0.37 0.00 0.01 -0.01 0.08 0.11 0.02 -0.09 0.15 0.08 -0.14 -0.02 0.02 -0.09 -0.17 -0.04 0.05 -0.09 -0.05 0.19 -0.01 -0.04 0.13 0.10 0.01 -0.16 -0.06 0.01 0.20 -0.00 -0.05 0.06 0.03 0.02 0.05 -0.03 -0.04 -0.06 0.14 0.17 0.13 0.01 -0.01 -0.14 -0.13 -0.13 0.12 0.01 -0.06 -0.11 -0.00 0.03 0.02 0.17 0.21 -0.07 -0.19 -0.18 -0.13 0.01 0.01 -0.10 -0.18 -0.05 0.00 -0.06 -0.04 -0.06 -0.04 0.02 0.18 0.05 -0.13 -0.06 -0.10 -0.06 -0.09 0.12 0.17 -0.08 -0.10 -0.01 0.06 0.09 0.03 0.20 -0.03 -0.18 -0.15 0.07 0.21 0.06 0.12 0.02 -0.10 0.17 0.09 -0.00 -0.02 -0.01 0.01 0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 -0.01 0.02 0.01 -0.00 0.01 0.02 0.00 -0.02 -0.02 0.02 -0.03 -0.00 -0.01 -0.03 0.00 0.01 -0.04 0.02 0.03 -0.05 -0.02 -0.01 -0.00 -0.09 -0.11 -0.24 0.09 0.17 0.04 0.09 0.09 -0.26 -0.07 -0.06 0.12 0.00 -0.02 -0.25 -0.18 -0.17 -0.18 0.18 0.28 0.14 0.01 -0.01 -0.02 -0.03 -0.01 -0.04 -0.03 0.01 -0.01 -0.04 -0.02 0.10 -0.01 -0.09 -0.18 -0.18 0.06 -0.08 0.05 0.11 -0.04 -0.24 -0.16 0.06 0.10 0.02 0.07 -0.23 -0.26 -0.27 -0.11 0.16 0.08 0.10 0.01 0.11 0.07 0.00 0.03 0.03 0.00 -0.03 0.06 0.03 -0.04 -0.01 0.00 -0.04 -0.07 -0.02 0.01 -0.03 -0.01 0.08 -0.01 -0.02 0.03 0.03 0.03 -0.04 -0.01 0.03 0.07 0.00 -0.02 -0.02 0.03 0.04 -0.03 -0.03 -0.02 -0.03 -0.04 -0.04 -0.22 0.12 0.19 -0.01 0.04 0.05 -0.26 -0.08 -0.09 0.09 0.00 -0.02 -0.30 -0.13 -0.10 -0.23 0.13 0.23 0.10 0.00 -0.02 -0.04 -0.06 -0.02 0.04 0.02 -0.02 -0.01 0.03 0.04 -0.04 0.03 0.05 0.21 0.20 -0.09 0.06 0.00 -0.05 0.01 0.26 0.19 -0.05 -0.08 -0.02 0.00 0.27 0.24 0.28 0.20 -0.10 -0.06 -0.09 -0.02 -0.05 0.07 0.02 0.00 -0.04 -0.01 0.00 0.00 0.00 -0.03 0.02 0.01 0.03 -0.04 -0.01 0.02 0.01 0.00 -0.02 0.04 0.01 0.09 -0.08 -0.09 -0.02 0.10 0.08 -0.03 0.02 0.04 -0.07 -0.03 -0.02 0.07 -0.02 -0.04 0.04 -0.03 -0.04 -0.25 0.04 0.11 -0.03 -0.03 -0.02 0.38 0.06 0.04 -0.00 0.04 0.05 0.27 0.05 -0.01 -0.13 0.02 0.04 0.06 0.26 0.30 0.00 -0.04 -0.04 0.02 0.06 0.04 -0.06 -0.05 0.02 -0.04 -0.01 0.02 0.22 0.27 -0.03 -0.00 0.05 0.04 -0.09 -0.21 -0.10 0.03 -0.02 -0.04 -0.04 -0.11 -0.03 0.16 0.20 0.01 0.23 -0.08 -0.28 0.13 0.08 0.00 0.04 0.00 -0.01 -0.01 0.02 0.01 -0.02 -0.04 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 0.24 -0.09 -0.11 -0.04 -0.26 -0.12 -0.01 0.02 0.02 -0.07 -0.02 -0.01 0.06 -0.02 -0.03 0.03 -0.02 -0.04 -0.25 0.06 0.13 -0.04 -0.02 -0.01 0.32 0.07 0.02 0.01 0.03 0.04 0.18 0.02 -0.01 -0.15 0.03 0.07 0.06 0.21 0.25 -0.01 0.02 0.03 -0.02 -0.06 -0.03 0.05 0.05 -0.01 0.04 0.02 -0.01 -0.24 -0.26 0.02 0.01 -0.04 -0.04 0.08 0.26 0.13 -0.03 0.01 0.04 0.05 0.15 0.07 -0.13 -0.16 -0.01 -0.23 0.06 0.27 -0.02 0.02 0.02 -0.11 -0.03 0.02 0.04 -0.07 -0.04 0.08 0.08 0.02 -0.05 -0.00 0.01 0.03 -0.06 -0.03 0.02 0.04 0.01 -0.55 0.20 0.14 0.11 0.59 0.15 0.05 0.01 0.02 -0.03 -0.01 -0.00 0.03 -0.01 -0.03 0.00 -0.00 -0.00 -0.14 0.03 0.09 -0.03 -0.03 -0.02 0.03 -0.07 0.01 0.01 0.02 0.02 0.07 0.02 0.01 -0.09 0.01 0.00 0.04 0.13 0.15 -0.03 -0.03 0.02 -0.00 -0.03 -0.03 0.02 0.02 -0.00 0.04 0.01 -0.02 0.05 -0.06 0.01 0.00 -0.00 -0.01 0.05 0.14 0.09 -0.02 0.00 0.02 0.04 0.08 0.01 -0.05 -0.05 0.00 -0.14 0.04 0.16 0.04 -0.09 -0.02 -0.03 -0.07 -0.02 0.05 0.03 0.00 -0.08 0.01 0.02 0.05 -0.08 -0.04 0.08 0.05 0.00 -0.04 0.08 0.04 -0.02 -0.08 -0.02 -0.08 0.02 0.02 -0.12 -0.00 0.04 0.02 -0.01 -0.02 -0.03 0.01 0.02 0.02 -0.01 -0.01 0.27 -0.14 -0.19 0.06 0.02 0.01 -0.02 0.01 0.03 -0.02 -0.01 -0.00 0.06 0.01 -0.01 0.21 -0.04 -0.09 -0.04 -0.08 -0.09 -0.06 -0.10 -0.04 -0.01 -0.04 -0.02 0.01 0.02 0.02 0.05 0.04 -0.01 -0.00 -0.03 -0.03 0.00 0.02 0.01 0.02 0.30 0.19 -0.02 -0.02 0.01 0.07 0.20 0.10 0.04 0.05 0.00 -0.10 0.00 0.10 0.61 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.05 -0.02 0.01 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.05 -0.02 -0.01 0.11 -0.05 -0.09 0.04 -0.02 -0.03 -0.15 -0.05 -0.04 0.01 0.05 0.05 -0.45 -0.15 -0.08 0.35 -0.15 -0.26 0.12 0.43 0.49 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.03 -0.03 0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 0.01 0.08 0.06 -0.08 -0.07 0.02 0.10 -0.03 -0.12 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.02 -0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.04 -0.02 -0.03 0.01 -0.00 -0.01 -0.03 -0.01 -0.01 0.00 0.01 0.01 -0.11 -0.04 -0.02 0.08 -0.04 -0.06 0.03 0.09 0.11 -0.01 0.00 0.01 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.04 -0.03 0.11 0.10 -0.04 0.04 0.03 -0.01 -0.01 -0.15 -0.11 -0.04 0.01 0.05 -0.04 -0.37 -0.25 0.37 0.31 -0.08 -0.43 0.12 0.49 -0.00 0.01 -0.00 -0.04 0.03 0.02 0.06 0.03 -0.00 0.01 -0.05 -0.02 -0.04 0.02 0.02 -0.02 -0.01 -0.00 -0.01 -0.04 -0.02 -0.38 0.21 0.16 -0.01 -0.43 -0.16 0.02 -0.00 -0.01 -0.02 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.22 0.10 0.16 0.00 -0.01 -0.02 -0.15 -0.07 -0.02 0.00 0.00 0.00 0.18 0.07 0.04 0.09 -0.05 -0.08 0.01 0.01 0.02 0.01 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.11 -0.07 0.02 0.01 0.01 -0.01 -0.02 -0.21 -0.14 0.00 0.00 -0.00 0.00 0.08 0.07 0.13 0.10 -0.03 0.02 -0.00 -0.02 0.45 0.26 -0.00 -0.02 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.05 0.02 0.01 -0.02 -0.02 0.00 0.00 0.00 0.03 -0.01 -0.02 0.05 0.01 0.00 -0.03 -0.01 -0.01 0.30 -0.14 -0.23 -0.03 0.01 0.02 0.39 0.11 0.08 -0.01 0.00 0.00 -0.35 -0.12 -0.07 -0.32 0.14 0.23 -0.01 0.00 0.01 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.00 -0.02 -0.02 0.00 0.02 0.02 -0.20 -0.19 0.05 0.02 0.01 -0.01 -0.03 -0.25 -0.17 0.00 0.01 0.00 0.03 0.24 0.16 0.19 0.17 -0.05 0.01 0.00 -0.01 0.07 0.03 0.00 0.02 -0.02 -0.01 -0.03 -0.02 -0.00 -0.00 0.03 0.01 0.02 -0.01 -0.01 0.01 0.01 0.00 0.00 0.03 0.01 0.18 -0.11 -0.06 0.00 0.22 0.06 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.03 -0.01 -0.00 0.02 0.01 0.00 -0.15 0.06 0.11 0.02 -0.00 -0.01 -0.24 -0.06 -0.05 0.01 -0.00 -0.00 0.21 0.07 0.04 0.20 -0.08 -0.14 0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.04 -0.04 0.00 -0.00 -0.03 -0.02 0.01 0.03 0.02 -0.29 -0.29 0.08 0.02 0.02 -0.00 -0.03 -0.28 -0.19 0.00 0.01 0.00 0.05 0.35 0.23 0.27 0.23 -0.06 -0.00 0.01 0.01 -0.22 -0.13 0.00 0.01 -0.03 -0.01 -0.04 -0.02 0.00 -0.02 0.02 0.01 0.05 -0.17 -0.08 -0.10 -0.06 -0.00 -0.12 0.13 0.08 0.21 -0.14 -0.10 -0.01 0.24 0.09 0.17 0.03 0.00 0.04 -0.02 -0.03 0.03 0.00 -0.01 -0.04 0.02 0.03 -0.04 0.03 0.03 -0.04 -0.03 -0.03 -0.31 -0.11 -0.08 0.00 0.00 0.00 -0.13 -0.01 0.02 -0.21 0.04 0.10 -0.01 -0.02 -0.03 0.11 0.14 0.00 0.02 0.03 0.01 0.01 0.04 0.03 -0.05 -0.02 0.03 -0.25 -0.20 0.07 -0.00 -0.04 -0.03 0.00 -0.06 -0.04 0.00 -0.00 -0.00 -0.08 -0.20 -0.09 -0.08 -0.11 -0.02 -0.02 0.00 0.03 0.49 0.28 -0.00 0.00 -0.02 -0.01 0.01 -0.03 -0.01 0.02 0.00 -0.00 -0.06 0.05 0.02 0.01 -0.03 -0.01 -0.01 0.08 0.02 0.21 -0.14 -0.09 0.01 -0.30 -0.11 0.05 0.13 0.15 0.06 -0.04 -0.07 -0.08 -0.04 -0.03 -0.10 -0.04 -0.03 0.14 -0.08 -0.13 0.07 -0.05 -0.07 -0.25 -0.09 -0.07 0.02 0.06 0.07 0.27 0.08 0.04 -0.24 0.08 0.16 -0.02 -0.09 -0.11 -0.15 0.01 0.15 0.08 0.05 -0.04 0.01 -0.08 -0.07 0.01 -0.09 -0.08 0.20 0.16 -0.07 0.09 0.07 -0.03 -0.00 -0.15 -0.12 -0.06 0.02 0.07 0.06 0.26 0.17 -0.20 -0.18 0.04 0.10 -0.03 -0.11 -0.00 -0.04 -0.01 0.15 -0.06 -0.06 -0.12 -0.07 0.00 0.02 0.16 0.06 0.12 -0.04 -0.05 -0.14 -0.08 -0.00 0.03 0.12 0.05 -0.37 0.21 0.15 -0.01 -0.41 -0.15 -0.05 -0.11 -0.12 -0.10 0.05 0.08 0.12 0.05 0.03 0.12 0.04 0.02 0.07 -0.03 -0.04 -0.09 0.05 0.08 0.00 -0.00 0.02 -0.02 -0.08 -0.09 -0.18 -0.06 -0.04 0.18 -0.06 -0.12 0.03 0.12 0.14 -0.11 0.01 0.11 0.09 0.07 -0.03 -0.01 -0.10 -0.07 -0.00 -0.10 -0.07 -0.01 -0.01 -0.01 0.09 0.08 -0.02 0.01 0.08 0.05 -0.08 0.02 0.09 0.04 0.17 0.12 -0.13 -0.11 0.03 0.12 -0.03 -0.13 -0.00 -0.00 0.00 -0.11 0.04 0.04 0.05 0.03 0.00 -0.03 -0.11 -0.04 -0.06 -0.02 -0.00 0.11 0.07 0.00 -0.04 -0.04 0.00 0.37 -0.22 -0.16 0.00 0.43 0.16 0.02 -0.09 -0.10 -0.01 0.02 0.02 0.03 0.02 0.02 0.05 0.03 0.03 -0.19 0.10 0.16 -0.05 0.02 0.04 0.14 0.06 0.04 -0.01 -0.03 -0.03 -0.24 -0.06 -0.02 0.15 -0.06 -0.11 0.00 0.00 0.01 -0.07 0.06 0.11 0.04 0.02 -0.02 0.01 -0.02 -0.03 -0.00 -0.06 -0.04 0.12 0.09 -0.04 0.06 0.03 -0.03 -0.01 -0.21 -0.16 -0.03 0.01 0.03 0.03 0.17 0.11 -0.19 -0.18 0.02 0.01 -0.00 -0.02 0.20 0.11 0.00 -0.06 -0.01 0.01 0.06 -0.10 -0.05 0.04 0.05 0.01 0.04 0.19 0.07 0.01 -0.02 -0.01 -0.19 0.06 0.07 0.36 -0.24 -0.17 0.02 -0.42 -0.16 0.15 -0.03 -0.06 0.01 -0.00 -0.00 0.08 0.03 0.01 0.02 0.04 0.04 -0.10 0.05 0.08 -0.07 -0.01 0.00 -0.28 -0.10 -0.06 -0.01 -0.03 -0.03 -0.23 -0.04 0.00 -0.12 0.01 0.04 -0.00 0.03 0.04 -0.05 -0.14 -0.05 -0.06 -0.06 0.01 -0.00 -0.01 -0.00 0.04 0.05 0.00 0.24 0.20 -0.06 -0.04 0.00 0.04 0.01 0.09 0.07 0.03 -0.00 -0.03 0.06 0.12 0.04 0.14 0.16 0.01 -0.03 0.02 0.04 0.07 -0.11 -0.06 -0.01 0.01 0.01 0.01 -0.02 -0.01 -0.00 0.02 0.01 0.04 0.02 0.00 -0.01 0.01 0.00 -0.04 -0.01 0.01 -0.02 0.01 0.00 -0.00 -0.01 -0.01 0.02 -0.02 -0.03 0.09 -0.02 -0.05 -0.08 -0.01 -0.00 -0.03 0.00 0.01 -0.34 0.17 0.27 0.02 -0.01 -0.01 0.37 0.13 0.09 0.01 0.06 0.06 -0.24 -0.07 -0.02 0.13 -0.05 -0.09 -0.05 -0.17 -0.19 0.00 -0.03 -0.03 0.04 0.05 -0.00 -0.02 -0.08 -0.04 -0.00 -0.02 -0.01 -0.26 -0.22 0.07 0.01 0.02 0.01 0.02 0.34 0.24 -0.05 0.02 0.06 -0.01 -0.11 -0.08 0.16 0.15 -0.02 0.15 -0.04 -0.16 0.01 -0.02 -0.01 0.04 -0.02 -0.02 -0.04 -0.02 0.00 0.01 0.04 0.02 0.03 -0.02 -0.02 -0.04 -0.02 -0.00 0.01 0.04 0.02 -0.09 0.06 0.03 0.00 -0.11 -0.03 -0.01 -0.02 -0.02 0.06 -0.02 -0.03 -0.07 -0.01 -0.00 -0.01 0.00 0.00 -0.25 0.12 0.20 0.01 0.00 -0.00 0.35 0.12 0.08 0.01 0.04 0.05 -0.20 -0.06 -0.03 0.15 -0.06 -0.10 -0.04 -0.15 -0.18 -0.02 0.01 0.02 -0.05 -0.06 0.00 0.02 0.07 0.04 0.01 0.01 0.00 0.31 0.27 -0.09 -0.01 -0.01 -0.01 -0.02 -0.34 -0.24 0.05 -0.02 -0.06 0.03 0.18 0.11 -0.18 -0.16 0.03 -0.17 0.04 0.20 0.04 0.02 0.00 0.05 0.05 0.01 -0.01 0.02 0.01 -0.07 -0.01 0.01 0.25 0.01 -0.06 -0.06 0.10 0.06 -0.14 -0.21 -0.06 -0.27 0.22 0.15 -0.05 0.33 0.15 0.04 0.01 -0.02 0.05 0.00 -0.01 0.02 0.03 0.03 -0.08 -0.00 0.02 -0.03 0.06 0.04 0.07 -0.03 -0.05 -0.15 -0.02 0.00 -0.02 -0.01 -0.01 0.14 0.07 0.06 -0.28 0.11 0.20 0.03 0.17 0.19 -0.03 -0.03 -0.02 -0.03 -0.00 0.03 -0.03 -0.04 -0.01 -0.00 -0.07 -0.05 0.10 0.12 -0.00 0.04 0.07 0.02 -0.03 0.05 0.04 0.02 0.01 -0.01 0.04 0.30 0.21 -0.14 -0.08 0.06 -0.16 0.06 0.19 -0.01 0.03 0.01 -0.01 -0.05 -0.02 0.12 0.07 0.00 -0.05 0.01 0.02 -0.03 -0.04 -0.00 0.04 0.02 -0.00 -0.05 -0.00 0.00 -0.17 0.03 0.04 -0.07 -0.16 -0.04 0.02 0.06 0.07 -0.05 -0.03 -0.03 0.07 -0.01 -0.03 0.10 0.01 -0.01 -0.02 -0.06 -0.06 -0.09 -0.01 0.01 -0.14 -0.10 -0.08 0.00 0.05 0.06 -0.28 -0.12 -0.09 0.10 -0.10 -0.15 -0.08 -0.25 -0.28 0.06 -0.01 -0.07 0.02 0.07 0.03 -0.05 -0.03 0.03 -0.05 -0.07 -0.01 -0.16 -0.07 0.08 0.06 0.08 0.01 -0.06 0.01 0.06 0.04 -0.02 -0.06 -0.04 0.14 0.15 -0.25 -0.18 0.09 -0.26 0.06 0.28 -0.34 -0.20 -0.00 0.01 -0.09 -0.04 0.14 0.08 -0.00 -0.07 0.06 0.04 -0.03 -0.10 -0.04 0.09 0.05 -0.00 -0.09 0.03 0.04 -0.27 0.04 0.07 -0.11 -0.27 -0.08 -0.01 -0.05 -0.05 0.07 -0.01 -0.02 -0.00 0.03 0.04 -0.03 0.03 0.04 -0.16 0.10 0.15 0.07 -0.02 -0.04 -0.05 0.02 0.05 -0.04 -0.04 -0.04 -0.01 0.04 0.05 -0.20 0.10 0.17 0.01 0.17 0.20 -0.04 0.01 0.04 0.03 -0.01 -0.04 0.03 0.06 0.02 0.02 0.06 0.04 -0.02 -0.06 -0.04 0.01 -0.03 -0.03 0.00 -0.18 -0.14 -0.05 -0.01 0.03 -0.02 -0.22 -0.16 0.01 -0.04 -0.04 0.13 -0.07 -0.17 -0.48 -0.27 -0.00 0.05 -0.00 -0.01 -0.01 0.03 0.01 -0.03 -0.04 -0.01 0.09 -0.00 -0.03 -0.02 0.04 0.02 -0.05 -0.07 -0.03 -0.16 0.11 0.07 -0.03 0.16 0.06 0.02 0.08 0.08 -0.06 -0.03 -0.03 0.08 -0.01 -0.03 0.10 0.00 -0.02 0.00 -0.07 -0.09 -0.09 -0.02 -0.00 -0.18 -0.11 -0.09 0.00 0.06 0.08 -0.27 -0.13 -0.10 0.08 -0.10 -0.14 -0.09 -0.27 -0.31 -0.08 0.03 0.08 -0.03 -0.08 -0.04 0.06 0.04 -0.02 0.06 0.07 0.00 0.18 0.10 -0.10 -0.05 -0.09 -0.02 0.06 -0.06 -0.10 -0.06 0.03 0.08 0.05 -0.14 -0.16 0.25 0.16 -0.10 0.29 -0.07 -0.32 -0.04 0.02 0.01 -0.03 0.02 0.02 0.03 -0.02 -0.01 -0.01 0.04 0.02 0.07 0.01 -0.01 -0.01 0.02 0.01 -0.06 -0.05 -0.01 0.01 0.00 -0.01 -0.02 -0.04 -0.02 0.14 0.01 -0.02 -0.04 0.05 0.07 -0.05 -0.05 -0.05 -0.11 -0.06 -0.05 0.30 -0.09 -0.18 -0.09 0.05 0.08 0.32 0.06 0.01 0.09 0.01 -0.00 0.35 0.09 0.03 0.30 -0.11 -0.20 0.10 -0.03 -0.06 -0.06 -0.08 -0.01 0.05 0.01 -0.04 -0.01 0.05 0.06 0.00 0.08 0.06 -0.16 -0.18 0.00 0.08 0.04 -0.04 -0.06 -0.25 -0.15 -0.05 -0.05 0.00 -0.04 -0.25 -0.17 -0.19 -0.20 0.01 -0.00 -0.08 -0.07 -0.01 -0.04 -0.01 -0.01 -0.04 -0.01 0.08 0.05 0.00 -0.04 0.01 0.01 -0.02 -0.07 -0.02 0.02 0.01 -0.00 -0.06 0.03 0.03 -0.12 0.01 0.02 -0.05 -0.10 -0.01 0.10 -0.01 -0.03 -0.02 0.04 0.05 -0.05 -0.04 -0.03 -0.09 -0.04 -0.03 0.20 -0.05 -0.10 -0.05 0.04 0.06 0.27 0.05 0.03 0.06 -0.00 -0.02 0.27 0.08 0.04 0.21 -0.07 -0.13 0.08 0.02 0.00 0.06 0.12 0.04 -0.07 -0.03 0.05 0.03 -0.05 -0.07 0.01 -0.09 -0.08 0.23 0.26 -0.03 -0.10 -0.07 0.04 0.08 0.27 0.15 0.04 0.07 0.02 0.06 0.30 0.18 0.26 0.25 -0.04 0.06 0.09 0.02 -0.19 -0.10 0.00 -0.24 0.16 0.12 0.08 -0.14 -0.07 -0.02 0.29 0.12 0.06 -0.20 -0.09 -0.02 0.05 0.03 0.14 -0.15 -0.09 0.46 -0.20 -0.16 -0.06 -0.49 -0.16 -0.05 0.01 0.01 -0.03 0.00 0.01 0.02 0.01 0.01 0.04 -0.00 -0.01 0.00 -0.01 -0.02 0.02 -0.02 -0.03 -0.11 -0.01 -0.02 -0.01 0.02 0.03 -0.06 -0.03 -0.03 -0.06 0.01 0.02 -0.04 -0.04 -0.05 0.02 0.05 0.01 -0.02 -0.01 0.01 0.01 0.02 0.01 0.01 -0.03 -0.03 0.06 0.09 -0.02 -0.02 -0.03 -0.01 0.01 -0.01 -0.02 -0.01 0.02 0.03 0.02 0.05 0.02 0.06 0.03 -0.03 0.06 0.01 -0.04 0.09 -0.16 -0.08 0.07 -0.00 -0.02 -0.10 -0.06 0.00 0.03 0.06 0.02 -0.08 -0.04 -0.01 0.13 0.07 -0.00 -0.08 -0.04 0.01 -0.03 0.05 0.04 0.03 -0.05 -0.04 -0.02 -0.13 -0.15 -0.06 0.09 0.12 0.09 0.08 0.08 -0.07 -0.09 -0.10 0.20 -0.02 -0.07 0.03 -0.10 -0.12 -0.20 -0.01 0.03 0.04 0.17 0.20 0.14 -0.04 -0.07 -0.17 -0.03 0.01 -0.06 -0.22 -0.25 -0.12 0.05 0.15 0.12 0.04 -0.08 0.04 -0.09 -0.12 -0.07 0.07 0.12 -0.11 -0.17 -0.03 -0.11 -0.01 0.10 0.09 0.18 0.07 0.17 -0.05 -0.20 -0.11 -0.14 -0.01 0.04 0.14 0.07 -0.22 0.06 0.25 0.09 0.05 0.00 0.01 -0.03 -0.02 -0.01 0.01 0.01 0.01 -0.03 -0.02 -0.05 0.03 0.03 0.01 -0.03 -0.01 0.00 0.06 0.03 -0.01 -0.02 0.01 0.02 0.00 0.01 -0.04 -0.16 -0.17 -0.05 0.09 0.12 0.09 0.09 0.09 -0.07 -0.10 -0.10 0.20 -0.01 -0.05 0.04 -0.10 -0.13 -0.21 0.00 0.04 0.04 0.17 0.20 0.15 -0.03 -0.07 -0.19 -0.02 0.02 -0.06 -0.21 -0.24 0.15 -0.05 -0.17 -0.12 -0.03 0.09 -0.05 0.09 0.12 0.07 -0.08 -0.13 0.10 0.18 0.04 0.12 0.01 -0.10 -0.09 -0.18 -0.06 -0.17 0.05 0.20 0.11 0.15 0.02 -0.05 -0.15 -0.07 0.22 -0.05 -0.24 -0.01 0.01 0.01 0.14 0.01 -0.03 -0.19 -0.11 0.00 0.08 0.12 0.03 -0.19 -0.08 0.02 0.22 0.12 -0.00 -0.17 -0.12 -0.02 -0.08 0.14 0.06 0.08 -0.14 -0.06 0.17 0.06 0.02 -0.16 0.01 0.04 -0.20 -0.06 -0.03 0.19 0.05 0.02 0.09 -0.10 -0.15 0.14 -0.00 -0.03 0.25 0.08 0.06 -0.09 -0.04 -0.03 -0.20 -0.08 -0.06 -0.05 0.08 0.12 -0.08 0.05 0.07 0.13 0.10 -0.03 -0.14 -0.12 0.03 -0.07 -0.11 -0.03 0.06 0.09 0.02 0.17 0.16 -0.05 0.12 0.12 -0.02 -0.04 0.10 0.13 -0.08 -0.04 0.04 0.05 -0.06 -0.09 -0.15 -0.12 0.04 0.01 -0.08 -0.07 0.20 0.11 0.00 0.14 0.01 -0.03 -0.20 -0.12 -0.00 0.09 0.12 0.03 -0.18 -0.05 0.03 0.22 0.13 0.00 -0.10 -0.12 -0.03 -0.05 0.12 0.06 0.08 -0.13 -0.06 -0.13 0.05 0.08 0.22 -0.07 -0.13 0.23 0.02 -0.02 -0.21 -0.02 0.03 -0.21 0.12 0.19 -0.21 0.06 0.12 -0.21 -0.13 -0.12 0.10 -0.03 -0.06 0.17 0.12 0.10 0.18 -0.11 -0.18 0.13 0.03 0.01 0.04 -0.04 -0.06 0.02 0.05 0.03 0.00 0.08 0.06 -0.01 -0.08 -0.06 -0.05 -0.00 0.05 -0.02 -0.05 -0.02 -0.02 -0.10 -0.06 -0.02 0.04 0.05 0.02 0.10 0.06 0.04 -0.00 -0.04 0.06 0.02 -0.04 0.21 0.12 -0.00 0.05 0.00 -0.01 -0.06 -0.03 0.00 0.02 0.03 0.01 -0.03 0.02 0.02 0.06 0.04 -0.00 -0.07 -0.04 -0.00 -0.04 0.05 0.02 0.02 -0.00 -0.02 0.12 0.02 -0.01 -0.13 0.02 0.05 -0.15 -0.03 -0.01 0.14 0.03 0.01 0.09 -0.08 -0.12 0.11 -0.01 -0.04 0.18 0.07 0.06 -0.07 -0.01 -0.00 -0.14 -0.07 -0.05 -0.06 0.07 0.10 -0.07 0.02 0.03 -0.09 -0.17 -0.05 0.18 0.21 0.00 0.08 0.24 0.12 -0.08 -0.22 -0.11 -0.27 -0.18 0.12 -0.16 -0.20 -0.01 0.02 -0.25 -0.23 0.06 0.11 0.03 -0.03 0.20 0.20 0.23 0.13 -0.11 0.07 0.12 0.03 0.06 0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.04 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.03 -0.03 -0.00 0.01 0.01 -0.01 0.02 0.03 0.41 0.35 0.35 -0.01 -0.01 -0.01 0.04 -0.08 -0.11 0.02 -0.00 -0.01 0.15 -0.27 -0.36 0.13 0.11 0.11 -0.26 0.00 0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.02 -0.01 -0.00 0.00 -0.02 0.04 0.05 0.01 -0.01 -0.02 0.28 0.10 -0.19 0.01 0.01 0.00 0.09 0.03 -0.06 -0.08 0.14 0.19 -0.07 -0.13 -0.03 0.01 -0.01 -0.00 0.00 0.01 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 -0.04 -0.06 -0.01 0.11 0.00 -0.02 0.00 -0.00 -0.00 0.02 0.02 0.02 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.21 -0.18 -0.17 0.01 0.01 0.01 -0.03 0.06 0.08 -0.01 0.00 0.00 -0.08 0.15 0.19 -0.08 -0.07 -0.07 0.15 -0.00 -0.03 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.04 -0.01 0.03 -0.02 -0.01 0.01 -0.05 0.10 0.13 0.01 -0.02 -0.03 0.48 0.16 -0.32 0.01 0.02 0.01 0.19 0.06 -0.13 -0.15 0.26 0.35 -0.14 -0.25 -0.07 -0.03 0.06 0.03 0.02 0.03 0.01 0.02 -0.03 -0.01 -0.05 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.24 -0.39 -0.09 0.54 0.01 -0.11 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 -0.00 0.00 0.01 0.11 0.10 0.09 0.01 0.01 0.01 -0.08 0.14 0.20 -0.00 -0.00 0.00 0.03 -0.05 -0.06 -0.09 -0.08 -0.07 0.02 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.08 0.15 0.21 -0.00 0.00 0.01 -0.17 -0.06 0.11 0.00 0.00 -0.00 0.11 0.04 -0.08 0.03 -0.06 -0.08 -0.01 -0.01 -0.00 -0.20 0.35 0.18 0.01 0.02 0.00 -0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.14 -0.23 -0.05 -0.26 -0.00 0.05 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.02 -0.03 0.00 0.00 0.00 0.18 0.15 0.15 0.02 0.02 0.02 -0.15 0.26 0.36 -0.02 -0.00 0.00 0.01 -0.02 -0.03 -0.25 -0.21 -0.21 0.18 -0.00 -0.04 0.00 -0.00 -0.00 -0.01 0.02 0.03 -0.02 -0.01 0.01 0.02 0.01 -0.02 0.12 -0.22 -0.30 0.00 -0.00 -0.00 0.21 0.07 -0.14 -0.01 -0.01 -0.00 -0.27 -0.09 0.18 -0.01 0.02 0.03 0.08 0.14 0.04 -0.00 0.01 0.00 -0.01 -0.02 -0.00 -0.01 0.02 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.11 0.18 0.04 -0.28 -0.00 0.06 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.00 0.00 -0.00 0.16 0.14 0.14 0.02 0.02 0.02 -0.09 0.15 0.21 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.22 -0.19 -0.19 0.22 -0.00 -0.05 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.02 0.01 -0.02 -0.03 -0.01 0.02 -0.10 0.17 0.24 -0.00 -0.00 -0.00 -0.26 -0.09 0.17 0.01 0.02 0.01 0.34 0.11 -0.23 -0.00 0.00 0.00 -0.14 -0.25 -0.07 0.13 -0.22 -0.11 -0.02 -0.04 -0.01 0.00 0.01 0.00 -0.04 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.28 0.46 0.10 0.46 0.01 -0.09 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 0.17 0.14 0.14 0.01 0.01 0.01 0.03 -0.06 -0.08 -0.03 0.00 0.01 -0.06 0.09 0.12 -0.14 -0.12 -0.12 0.33 -0.00 -0.08 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.01 0.00 -0.01 -0.04 0.07 0.09 -0.00 0.01 0.01 0.17 0.06 -0.12 -0.01 -0.02 -0.01 -0.13 -0.05 0.09 0.04 -0.08 -0.10 0.14 0.25 0.07 0.02 -0.05 -0.02 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.06 -0.01 0.07 0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.02 0.02 0.01 -0.02 -0.02 0.19 0.16 0.16 -0.00 -0.00 -0.00 0.12 -0.20 -0.28 -0.03 0.00 0.01 -0.11 0.18 0.24 0.05 0.04 0.04 0.34 -0.00 -0.08 0.00 0.00 0.00 -0.01 0.02 0.03 0.02 0.01 -0.01 0.01 0.00 -0.01 0.12 -0.22 -0.31 0.01 -0.02 -0.02 -0.24 -0.08 0.16 0.02 0.03 0.01 -0.07 -0.02 0.05 -0.10 0.18 0.24 -0.18 -0.32 -0.09 -0.08 0.14 0.07 -0.02 -0.03 -0.01 0.00 0.00 0.00 -0.03 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.19 0.32 0.07 0.35 0.01 -0.07 0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.02 -0.01 0.02 0.02 -0.16 -0.14 -0.14 0.01 0.01 0.01 -0.10 0.17 0.23 0.02 -0.00 -0.01 0.11 -0.19 -0.26 -0.12 -0.11 -0.11 -0.25 0.00 0.06 0.00 0.00 0.00 -0.01 0.01 0.02 0.02 0.01 -0.01 0.01 0.00 -0.01 0.10 -0.17 -0.24 0.01 -0.02 -0.02 -0.19 -0.06 0.13 0.01 0.02 0.01 -0.15 -0.05 0.10 -0.10 0.18 0.23 -0.13 -0.22 -0.06 0.01 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.04 0.01 0.05 0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.02 -0.03 0.01 -0.02 -0.03 0.14 0.12 0.11 -0.03 -0.02 -0.02 -0.15 0.24 0.34 0.02 0.00 -0.00 -0.16 0.27 0.36 0.28 0.24 0.23 -0.23 -0.00 0.05 -0.00 0.00 0.00 0.01 -0.01 -0.02 0.01 0.00 -0.01 0.02 0.01 -0.01 -0.07 0.13 0.18 0.01 -0.02 -0.02 -0.11 -0.04 0.07 -0.01 -0.01 -0.00 -0.21 -0.07 0.14 -0.09 0.17 0.22 0.05 0.09 0.02 0.08 -0.14 -0.07 0.01 0.01 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 -0.07 -0.12 -0.03 -0.14 -0.00 0.03 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.07 -0.06 -0.06 0.01 0.01 0.01 0.09 -0.15 -0.22 -0.01 -0.00 0.00 0.09 -0.15 -0.20 -0.14 -0.12 -0.12 0.15 0.00 -0.03 -0.00 -0.00 0.00 0.01 -0.02 -0.03 0.02 0.01 -0.01 0.03 0.01 -0.02 -0.14 0.26 0.36 0.01 -0.03 -0.03 -0.17 -0.06 0.11 -0.01 -0.02 -0.00 -0.32 -0.11 0.21 -0.16 0.28 0.37 0.12 0.20 0.05 0.01 -0.02 -0.01 -0.02 -0.03 -0.01 0.03 -0.06 -0.03 0.03 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.21 0.34 0.08 -0.36 -0.01 0.07 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.02 0.02 0.02 0.00 0.00 0.00 -0.03 0.04 0.06 0.01 0.00 -0.00 -0.03 0.05 0.07 -0.03 -0.03 -0.03 -0.14 0.00 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 -0.02 0.03 0.05 0.00 -0.00 -0.01 -0.02 -0.01 0.02 -0.01 -0.01 -0.00 0.05 0.01 -0.03 -0.03 0.05 0.07 0.06 0.11 0.03 -0.36 0.63 0.31 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.02 -0.02 -0.02 -0.01 -0.01 -0.01 -0.03 0.04 0.06 -0.02 0.00 0.00 0.04 -0.06 -0.08 0.10 0.09 0.09 0.18 -0.00 -0.04 0.00 0.00 -0.00 -0.01 0.02 0.02 0.01 0.00 -0.01 -0.04 -0.01 0.03 0.09 -0.17 -0.23 0.01 -0.02 -0.03 -0.11 -0.04 0.07 -0.03 -0.05 -0.01 0.43 0.14 -0.29 -0.13 0.22 0.29 0.29 0.51 0.14 0.03 -0.06 -0.03 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.06 0.09 0.02 -0.06 -0.00 0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.01 -0.02 -0.01 0.02 0.03 -0.08 -0.07 -0.07 -0.03 -0.03 -0.03 -0.10 0.16 0.22 -0.05 0.00 0.01 0.12 -0.21 -0.28 0.34 0.29 0.29 0.60 -0.01 -0.14 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.03 0.05 0.07 -0.00 0.01 0.01 0.03 0.01 -0.02 0.01 0.01 0.00 -0.12 -0.04 0.08 0.03 -0.06 -0.08 -0.08 -0.14 -0.04 -0.06 0.10 0.05 6 6 6 6 6 6 1 1 6 6 6 6 1 6 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 1 403.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 6 6 6 6 6 6 1 1 6 6 6 6 1 6 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 229.10173 0.86849 -0.42136 0.26113 0.49571 0.73677 -0.45983 0.00137 0.5288 0.84874 asymmetric 1 0.04505 0.01018 0.00849 0.93869 0.21217 0.17698 658540.4 50.18 56.20 86.96 145.14 147.49 217.47 341.97 374.07 395.62 477.58 540.04 590.87 594.15 594.99 670.19 746.09 762.32 877.72 888.42 896.63 910.74 916.26 1020.99 1022.04 1027.69 1042.79 1111.72 1130.61 1183.55 1192.32 1252.37 1253.62 1336.38 1365.43 1369.86 1418.05 1448.75 1450.09 1450.93 1462.88 1464.32 1473.56 1473.84 1491.14 1523.94 1544.29 1593.99 1599.07 1609.41 1631.14 1690.76 1691.61 1714.45 1735.13 1738.08 1861.01 1877.84 1888.27 1899.17 1930.24 1942.45 1950.74 2048.25 2132.48 2149.57 2151.06 2216.79 2221.64 2313.94 2367.38 2375.79 2406.15 2408.74 2409.18 4599.81 4600.43 4603.57 4607.26 4610.28 4614.92 4619.69 4621.25 4629.45 4630.01 4638.67 4643.01 4643.45 0.250825 0.275309 0.276586 0.186408 -693.301555 -693.277071 -693.275794 -693.365972 172.759 75.044 140.363 0.000 0.000 1.377 1.202 2.981 43.688 1.202 2.981 34.377 170.355 69.082 60.921 1 0.802 1.985 6.129 2 0.802 1.984 5.904 3 0.804 1.980 5.039 4 0.810 1.966 4.028 5 0.810 1.965 3.996 6 0.820 1.940 3.238 7 0.849 1.872 2.373 8 0.858 1.851 2.206 9 0.864 1.835 2.103 10 0.893 1.770 1.763 11 0.918 1.715 1.548 12 0.940 1.667 1.396 13 0.941 1.663 1.387 14 0.942 1.663 1.385 15 0.978 1.586 1.191 16 1.018 1.505 1.025 17 1.027 1.488 0.993 18 1.095 1.358 0.792 19 1.102 1.346 0.776 20 1.107 1.337 0.764 21 1.116 1.321 0.743 22 1.120 1.314 0.735 23 1.190 1.195 0.599 24 1.190 1.194 0.598 25 1.194 1.187 0.591 26 1.205 1.170 0.574 27 1.254 1.093 0.501 28 1.268 1.072 0.483 29 1.308 1.014 0.435 30 1.315 1.005 0.428 0.388811e-63 -63.410262 -146.007524 0.817886e+22 21.912693 50.455839 0.922939e-79 -79.034827 -181.984414 1 0.802870e+01 0.904645 2.083023 2 0.716766e+01 0.855377 1.969579 3 0.462731e+01 0.665328 1.531975 4 0.276278e+01 0.441346 1.016236 5 0.271815e+01 0.434274 0.999952 6 0.183156e+01 0.262822 0.605170 7 0.114428e+01 0.058532 0.134775 8 0.104001e+01 0.017039 0.039235 9 0.979255e+00 -0.009104 -0.020963 10 0.796739e+00 -0.098684 -0.227228 11 0.693487e+00 -0.158962 -0.366023 12 0.624850e+00 -0.204224 -0.470244 13 0.620802e+00 -0.207047 -0.476744 14 0.619775e+00 -0.207766 -0.478399 15 0.537486e+00 -0.269632 -0.620852 16 0.470302e+00 -0.327623 -0.754379 17 0.457566e+00 -0.339547 -0.781835 18 0.379745e+00 -0.420508 -0.968257 19 0.373488e+00 -0.427723 -0.984869 20 0.368784e+00 -0.433228 -0.997544 21 0.360878e+00 -0.442640 -1.019216 22 0.357849e+00 -0.446301 -1.027646 23 0.306213e+00 -0.513977 -1.183475 24 0.305747e+00 -0.514638 -1.184997 25 0.303247e+00 -0.518203 -1.193207 26 0.296699e+00 -0.527684 -1.215038 27 0.268945e+00 -0.570337 -1.313249 28 0.261904e+00 -0.581857 -1.339776 29 0.243332e+00 -0.613801 -1.413328 30 0.240410e+00 -0.619048 -1.425410 0.194146e+07 6.288128 14.478949 1 0.854425e+01 0.931674 2.145259 2 0.768508e+01 0.885648 2.039280 3 0.515424e+01 0.712165 1.639820 4 0.330766e+01 0.519520 1.196240 5 0.326376e+01 0.513718 1.182879 6 0.239859e+01 0.379955 0.874879 7 0.174875e+01 0.242728 0.558901 8 0.165396e+01 0.218526 0.503174 9 0.159952e+01 0.203989 0.469703 10 0.144063e+01 0.158554 0.365084 11 0.135494e+01 0.131920 0.303758 12 0.130027e+01 0.114035 0.262574 13 0.129712e+01 0.112979 0.260144 14 0.129632e+01 0.112711 0.259527 15 0.123409e+01 0.091348 0.210336 16 0.118643e+01 0.074242 0.170948 17 0.117777e+01 0.071059 0.163619 18 0.112786e+01 0.052254 0.120320 19 0.112409e+01 0.050803 0.116978 20 0.112129e+01 0.049718 0.114480 21 0.111663e+01 0.047909 0.110315 22 0.111486e+01 0.047221 0.108731 23 0.108632e+01 0.035956 0.082792 24 0.108607e+01 0.035859 0.082568 25 0.108477e+01 0.035339 0.081370 26 0.108140e+01 0.033988 0.078260 27 0.106774e+01 0.028466 0.065546 28 0.106444e+01 0.027122 0.062450 29 0.105607e+01 0.023691 0.054552 30 0.105479e+01 0.023168 0.053346 0.200000e+01 0.301030 0.693147 0.289785e+09 8.462076 19.484650 0.726874e+07 6.861459 15.799093 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2584 -0.4529 -0.2238 0.5674 -90.6162 -98.4559 -103.3188 5.2570 -5.8760 9.7483 6.8475 -0.9923 -5.8552 5.2570 -5.8760 9.7483 -217.8365 -404.4062 26.4973 -29.9616 -117.2049 -19.5311 -74.6501 -140.1208 28.2594 -11.2716 -5091.0645 -3477.4198 -611.7559 -1248.3303 -44.6555 -1212.6520 -68.5842 153.4525 -207.5267 -1312.9497 -999.5216 -671.5508 -77.6784 84.8998 -493.3915 0 -693.5523799 0.763677 0. 0.750077 2.539E-9 4.603E-6 0.2508248 0.2753088 -693.2770711 -693.2757944 -693.3659721 5.0909139,-0.7377151,-4.3531989,3.9084214,-4.3686253,7.2476375 C01 [X(C18H13)] 0.1016481 -0.1781732 -0.0880642 -0.1301759 -0.0362696 -0.0262888 -0.0312792 -0.1076572 0.0123656 -0.0750584 0.0101322 -0.1383554 -0.1078426 -0.1210284 -0.0574978 -0.1210551 0.0356288 0.1008469 -0.0411106 0.0729696 -0.1187075 -0.1432794 -0.0246563 0.0028137 -0.0289134 -0.0942982 0.0289405 0.0281459 0.0698004 -0.138697 0.1508453 0.2195914 0.0737586 0.2291654 0.2547441 0.0455096 0.0550055 0.0430042 0.0082402 -0.2190395 -0.0560261 0.016762 -0.0532069 -0.1537905 -0.0303902 0.0139539 -0.0251845 -0.08732 0.4247791 0.0682829 -0.0762372 0.0560722 -0.0190783 -0.0401789 -0.0637055 -0.0256628 0.0065514 0.0628507 -0.0726037 -0.0073151 -0.0930516 -0.0058124 -0.0321548 0.0031468 -0.0363449 0.1360753 -0.0613743 -0.0192994 0.0312207 0.0000604 0.1182529 -0.0097335 0.0304224 -0.0217288 0.135778 0.3771722 0.0532372 -0.0598032 -0.00488 -0.0211013 0.0036315 -0.0809872 -0.0082557 0.0191366 -0.1663101 0.0314573 0.0638062 0.0221273 -0.0872468 0.0602036 0.1072042 0.0503572 -0.1011464 -0.202854 -0.0421274 -0.0252051 0.0183147 -0.0920927 0.0721343 -0.0345519 0.0680198 -0.0339604 -0.0271559 -0.029518 -0.0592207 -0.0178456 -0.0653538 0.11232 -0.0828416 0.1165861 0.0093379 0.0291917 -0.0568538 -0.0556565 -0.0586766 0.0843337 -0.0662046 -0.0716084 -0.0706909 0.0829729 0.0096157 0.0718293 0.0530959 0.0652631 -0.0686 0.0916205 0.0852148 0.0999289 -0.0554949 0.0915421 0.0424019 0.0601063 0.0278192 0.0876582 -0.0907497 0.061871 -0.0836026 0.0228193 -0.0723275 -0.0068187 -0.0127566 0.0006381 -0.1139998 0.0533011 -0.0211737 0.0589095 -0.0896796 0.0454568 0.0163804 0.0471245 0.0345051 0.0754883 -0.1069361 0.0647968 -0.1033268 0.0137583 -0.0084175 -0.0693416 -0.0440182 -0.0774786 0.0762434 -0.080937 -0.0565125 -0.0884968 0.0624497 -0.0873314 -0.0107405 0.0446622 -0.0072022 0.1302879 -0.0368103 0.045449 -0.0352341 0.1073623 0.1038935 0.1569338 0.0271585 0.2157029 0.2527781 0.0529876 0.0495985 0.0652135 0.0183718 -0.1320677 -0.0241355 -0.0488639 -0.0855762 -0.1635493 0.058807 -0.0416385 0.0643725 -0.0349706 -0.0819129 -0.0282277 -0.0859159 -0.0171037 -0.1696768 -0.0240528 -0.0993267 -0.0671361 -0.1007101 0.0147117 0.0637575 -0.1065154 0.0698361 -0.0718974 0.0014505 -0.1309566 -0.0231374 -0.0561041 0.1182019 0.0111384 0.0482539 0.0266438 0.0596907 -0.0981297 0.0414418 -0.0947911 0.0237347 -0.0758566 0.0109188 -0.0665948 -0.0017075 -0.0158376 0.1086642 -0.0582446 0.1308386 0.0088577 0.0167853 -0.0533657 0.0861027 -0.0513191 0.0942532 0.0144965 0.0977241 0.0259121 0.0833226 -0.1050844 0.0206526 -0.0402336 0.0147554 -0.0794828 0.0370999 -0.0389326 0.0481648 -0.0907465 -0.0130902 -0.0774481 0.0926048 -0.0694247 0.0770981 -0.0032609 0.1050261 0.003398 0.0631667 0.0892704 0.0098317 0.0695039 -0.009644 0.0314923 -0.0944153 0.0562327 -0.1081321 0.0144405 0.0671586 -0.0965708 0.0085385 -0.1007128 -0.0234604 -0.0584428 0.0068951 -0.0573805 0.10761 0.0326448 0.0486181 0.0466104 0.0481735 -0.0250143 -0.0819824 0.0445201 -0.0785023 0.1219066 315.6112889|55.6531132|249.7640024|-30.1941784|53.4805845|184.9202608 0.000002750 0.000002826 -0.000001588 0.000004567 -0.000004508 -0.000005061 -0.000003025 0.000005465 0.000000882 -0.000004086 0.000014559 0.000003283 0.000008772 -0.000020044 -0.000007932 -0.000005835 0.000014423 0.000001579 0.000001915 0.000000311 -0.000002682 0.000001639 0.000002041 0.000000281 0.000002329 0.000002914 0.000006524 0.000001048 -0.000004156 -0.000002470 -0.000003637 -0.000004689 -0.000007565 -0.000000334 -0.000004547 -0.000003129 0.000000450 -0.000003078 -0.000001151 0.000002548 -0.000003744 -0.000005864 0.000004149 0.000001351 -0.000002698 0.000002401 -0.000003153 -0.000001717 -0.000001791 -0.000005367 -0.000001087 0.000001471 -0.000001544 -0.000003462 0.000000389 -0.000003620 -0.000002380 -0.000005672 0.000000884 0.000008769 0.000004390 0.000004738 -0.000000496 -0.000000747 -0.000000365 0.000001438 -0.000000834 0.000001394 0.000001888 -0.000001850 0.000003344 0.000002824 -0.000002092 -0.000000836 0.000002503 -0.000001906 -0.000001893 0.000001522 -0.000003241 0.000000530 0.000005472 -0.000001786 0.000004442 0.000005322 -0.000002236 -0.000000364 0.000004666 -0.000003713 0.000002066 0.000006587 0.000003965 0.000000619 -0.000004257 216.1925999999999 AuxInfo=1/0/N:1;2;3;4;5;6;9;10;11;12;14;16;20;21;22;23;25;27;7;8;13;15;17;18;19;24;26;28;29;30;31/rA:31nC0C0C0C0C0C0H0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0C0H0C0H0C0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6405,-.9462,-.9713;2.002,-.8863,-1.2522;2.7461,.2549,-.9691;2.1332,1.3776,-.3893;.7863,1.2426,-.1287;-.0149,.1523,-.3916;.0865,-1.855,-1.1779;3.8107,.2694,-1.1742;-1.4631,.1536,-.0734;-1.9476,.9408,.9767;-2.3683,-.6139,-.8116;-3.3018,.953,1.2867;-1.2511,1.5365,1.557;-3.7234,-.6032,-.4997;-2.0173,-1.2059,-1.6489;-4.1948,.1783,.551;-3.6603,1.5644,2.1063;-4.4133,-1.1997,-1.0848;-5.2509,.1868,.7926;2.8679,2.6246,-.0676;3.9929,3.0145,-.7996;2.4306,3.4413,.9806;4.6704,4.1871,-.4833;4.3291,2.4118,-1.6353;3.1063,4.6137,1.2949;1.5606,3.144,1.5561;4.2312,4.9897,.5654;5.538,4.4783,-1.0635;2.7574,5.2327,2.113;4.7593,5.9035,.8101;2.4945,-1.7492,-1.6837;