Gaussian 16 GINC-BELVIS10 APULGAR Optimization imazamethabenz_methyl_m CONF56 gas EM64L-G16RevC.01 1-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 77 77 582 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C16H20N2O3)] C1[X(C16H20N2O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 268.1827999999999 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3851,-.0678,-2.1888;2.3306,2.1657,.9929;.8745,2.0998,-.7017;-1.1431,.1105,.5595;-1.2169,-.5642,-1.5762;-2.4852,.3964,.0708;-3.5532,-.3461,.8998;-2.4955,-.0942,-1.3808;-2.6975,1.911,.0572;-3.3452,-1.8576,.8663;-3.6001,.1457,2.3425;-.4934,-.3859,-.4088;.9155,-.8107,-.3402;1.9275,.0884,-.0037;1.2374,-2.1454,-.5401;3.2281,-.3686,.1602;3.5572,-1.706,-.0371;2.5434,-2.5855,-.397;1.6288,1.547,.0507;4.9661,-2.1827,.1561;2.1433,3.5708,1.1043;-4.5137,-.1248,.4223;-3.7004,2.1521,-.2947;-2.5633,2.3212,1.056;-1.9749,2.3986,-.5966;-2.3916,-2.1339,1.3185;-4.1326,-2.359,1.4302;-3.3763,-2.2608,-.1469;-4.3223,-.4374,2.9152;-3.903,1.1894,2.4176;-2.6272,.0402,2.8229;-.8386,-.8419,-2.4664;.4566,-2.8541,-.7865;4.0097,.3325,.4245;2.7727,-3.6316,-.5593;5.1603,-2.4057,1.2069;5.1649,-3.0909,-.4113;5.6909,-1.4311,-.1548;2.7832,3.8936,1.9208;1.1066,3.8152,1.3356;2.4291,4.0894,.1889; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-3767952/Gau-3395.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-3767952/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/ #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization imazamethabenz_methyl_m CONF56 gas 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 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/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 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 2 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 21 21 21 8 19 21 19 6 12 8 12 32 7 8 9 10 11 22 23 24 25 26 27 28 29 30 31 13 14 15 16 19 18 33 17 34 18 20 35 36 37 38 39 40 41 1.202 1.3278 1.4219 1.2002 1.4566 1.2674 1.3763 1.3849 1.0063 1.5425 1.5323 1.5294 1.5261 1.5249 1.0952 1.0899 1.0881 1.0897 1.0909 1.0906 1.0909 1.0907 1.0893 1.0902 1.4732 1.3948 1.3874 1.3883 1.4899 1.3856 1.0829 1.3913 1.0827 1.3896 1.4999 1.0831 1.0916 1.0892 1.0895 1.0864 1.0899 1.0903 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 19 6 8 8 12 4 4 4 7 7 8 6 6 6 10 10 11 1 1 5 6 6 6 23 23 24 7 7 7 26 26 27 7 7 7 29 29 30 4 4 5 12 12 14 13 13 16 13 13 18 14 14 17 16 16 18 15 15 17 2 2 3 17 17 17 36 36 37 2 2 2 39 39 40 2 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 12 12 32 32 7 8 9 8 9 9 10 11 22 11 22 22 5 6 6 23 24 25 24 25 25 26 27 28 27 28 28 29 30 31 30 31 31 5 13 13 14 15 15 16 19 19 18 33 33 17 34 34 18 20 20 17 35 35 3 14 14 36 37 38 37 38 38 39 40 41 40 41 41 116.5151 107.0308 108.7678 124.6849 125.7911 111.2948 105.1432 108.9825 110.506 112.6672 107.9186 111.7533 111.9918 106.0039 110.1411 108.0643 108.6836 126.8471 129.4009 103.7411 110.4723 110.3659 110.8843 109.0534 108.5106 107.4731 111.1569 110.2178 112.4886 107.4832 108.4353 106.8398 110.1658 112.5049 110.9961 106.9667 107.9256 108.0898 115.2544 124.5856 120.1183 121.2823 119.5087 119.1101 119.7359 119.6277 120.3847 120.623 119.6747 119.6852 121.4163 119.4662 119.1018 118.2036 120.6264 121.1632 120.886 119.3985 119.713 124.218 112.0928 123.6448 110.8561 111.674 111.6436 107.3828 107.2988 107.7676 105.9568 111.3168 111.7028 109.5221 109.5843 108.7124 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 21 21 19 19 19 12 12 12 6 6 12 12 32 32 8 8 32 32 4 4 4 8 8 8 9 9 9 4 4 7 7 9 9 4 4 4 7 7 7 8 8 8 6 6 6 11 11 11 22 22 22 6 6 6 10 10 10 22 22 22 4 4 5 5 12 12 15 15 12 12 14 14 13 13 19 19 13 13 16 16 13 13 33 33 14 14 34 34 16 16 20 20 16 16 16 18 18 18 2 2 2 2 2 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 19 19 21 21 21 6 6 6 12 12 8 8 8 8 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 18 18 18 18 17 17 17 17 18 18 18 18 20 20 20 20 20 20 3 14 39 40 41 7 8 9 5 13 1 6 1 6 4 13 4 13 10 11 22 10 11 22 10 11 22 1 5 1 5 1 5 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 14 15 14 15 16 19 16 19 18 33 18 33 17 34 17 34 2 3 2 3 17 35 17 35 18 20 18 20 15 35 15 35 36 37 38 36 37 38 0.794 178.442 179.5353 60.5449 -61.1881 121.8934 2.2245 -113.2529 -2.678 179.6794 178.5139 -0.3745 8.0033 -170.885 2.0156 179.772 172.3946 -9.849 -58.8807 65.2427 -176.382 57.5504 -178.3261 -59.9509 178.359 -57.5175 60.8577 -179.9078 -1.0591 59.9001 -121.2511 -63.6975 115.1513 -179.3623 -58.6798 60.2958 -55.3161 65.3664 -175.658 66.9616 -172.356 -53.3803 62.918 -178.0158 -58.8992 -62.2373 56.8289 175.9455 179.1738 -61.76 57.3566 -176.7041 64.0436 -57.2224 -51.685 -170.9373 67.7967 66.5235 -52.7288 -173.9948 -59.2651 117.0873 123.1998 -60.4478 174.6678 -11.0722 -1.6989 172.5611 -175.872 2.619 0.5602 179.0511 1.6504 -179.8043 -172.5655 5.9798 146.1646 -36.1716 -39.6133 138.0505 0.6766 -179.9085 -177.8142 1.6008 -0.4194 -179.4811 -178.9699 1.9684 -0.7462 179.8406 178.3103 -1.1029 84.33 -155.9714 -35.2422 -94.7037 24.9949 145.7241 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 603 A 582 A 916 603 1733.5357886966 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 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. One-electron integral symmetry used in STVInt NBasis= 582 RedAO= T EigKep= 1.46D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 4.84D-07 NBFU= 579 Berny optimization. local minimum Step number 27 out of a maximum of 224 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00008 0.00051 0.00294 0.00378 0.00418 0.00436 0.00605 0.00889 0.01114 0.01403 0.01621 0.01853 0.01898 0.02037 0.02211 0.02226 0.02250 0.02269 0.02269 0.02421 0.02658 0.02960 0.03488 0.03628 0.04610 0.05004 0.05114 0.05476 0.05503 0.05692 0.05702 0.05714 0.05752 0.06870 0.06957 0.07131 0.07270 0.09748 0.10223 0.10727 0.13627 0.14198 0.14877 0.15656 0.15935 0.15990 0.15997 0.15999 0.16000 0.16000 0.16002 0.16004 0.16011 0.16015 0.16020 0.16034 0.16055 0.16118 0.16140 0.16395 0.17651 0.18245 0.20355 0.22403 0.22991 0.23469 0.23722 0.24254 0.24698 0.24792 0.24990 0.25053 0.25168 0.26150 0.28676 0.29198 0.29908 0.30258 0.30917 0.31378 0.33069 0.34205 0.34441 0.34552 0.34639 0.34715 0.34732 0.34738 0.34778 0.34802 0.34805 0.34852 0.34880 0.34905 0.34942 0.34950 0.35161 0.35306 0.35617 0.35635 0.35670 0.36073 0.36574 0.37736 0.43219 0.43739 0.44992 0.46644 0.47097 0.47552 0.47843 0.49040 0.51685 0.57006 0.73113 0.99496 1.03625 -1.60728342e-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 R34 R35 R36 R37 R38 R39 R40 R41 R42 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 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 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 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 2.28578 2.54624 2.72392 2.28481 2.79088 2.41164 2.61932 2.64463 1.90668 2.93439 2.91574 2.90719 2.90295 2.89867 2.07178 2.06448 2.05963 2.06365 2.06677 2.06556 2.06612 2.06666 2.06311 2.06524 2.79901 2.65247 2.63575 2.63911 2.82502 2.63090 2.04912 2.63990 2.04717 2.64160 2.85094 2.05033 2.06963 2.06406 2.06394 2.05546 2.06164 2.06225 2.01685 1.86881 1.90107 2.16837 2.19771 1.94954 1.83174 1.89714 1.92159 1.97902 1.87766 1.94462 1.95875 1.83805 1.92665 1.88775 1.90432 2.21283 2.25698 1.81330 1.91709 1.92242 1.92001 1.91510 1.90462 1.88423 1.92995 1.92489 1.95306 1.88413 1.89394 1.87565 1.91920 1.95966 1.92832 1.87506 1.88978 1.88969 2.00827 2.17650 2.09795 2.11824 2.08644 2.07706 2.08999 2.09179 2.09862 2.10580 2.08302 2.09409 2.12008 2.07146 2.09151 2.06174 2.10807 2.11318 2.11128 2.08430 2.08755 2.15399 1.95506 2.17362 1.92959 1.94508 1.94497 1.87665 1.87585 1.88883 1.84036 1.92326 1.92715 1.93300 1.93449 1.90512 0.00643 3.11491 3.13855 1.05185 -1.05411 2.12646 0.04462 -1.96012 -0.05643 3.11801 3.11718 -0.01175 0.15754 -2.97139 0.04528 -3.12755 3.00108 -0.17175 -1.03286 1.13787 -3.07549 0.99500 -3.11746 -1.04764 3.09950 -1.01296 1.05686 3.13623 -0.01847 1.03576 -2.11894 -1.12868 1.99980 3.10845 -1.06339 1.01162 -0.99538 1.11597 -3.09221 1.13380 -3.03804 -0.96303 1.09913 -3.10139 -1.01445 -1.08956 0.99311 3.08005 3.11134 -1.08918 0.99776 -3.10064 1.09590 -1.01561 -0.91998 -3.00663 1.16504 1.15223 -0.93441 -3.04592 -1.13316 1.95010 2.04286 -1.15707 3.05272 -0.16887 -0.03084 3.03075 -3.07127 0.04506 0.01336 3.12969 0.02609 -3.13334 -3.03518 0.08857 2.63162 -0.54353 -0.59037 2.51767 0.00970 3.14006 -3.10647 0.02389 -0.00315 -3.12374 -3.12670 0.03590 -0.01479 3.13805 3.10573 -0.02461 1.54878 -2.64828 -0.53627 -1.57119 0.51494 2.62695 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -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 0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 0.00000 0.00000 0.00002 -0.00002 0.00002 0.00002 -0.00001 -0.00002 0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -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 -0.00001 -0.00001 -0.00004 -0.00003 -0.00005 -0.00004 -0.00002 -0.00006 0.00004 0.00001 0.00003 0.00002 -0.00010 -0.00011 -0.00004 -0.00002 0.00009 0.00012 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00002 0.00002 0.00004 0.00003 0.00002 0.00004 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00005 0.00005 0.00004 0.00006 0.00007 0.00006 0.00005 0.00005 0.00004 0.00010 0.00011 0.00010 0.00009 0.00010 0.00009 0.00010 0.00011 0.00011 -0.00023 -0.00022 -0.00026 -0.00025 0.00001 0.00004 0.00000 0.00003 -0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00002 -0.00002 0.00010 0.00011 0.00013 0.00014 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00022 -0.00021 -0.00022 -0.00022 -0.00021 -0.00022 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00003 0.00001 -0.00001 -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 0.00001 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 -0.00001 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 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00000 -0.00004 -0.00003 -0.00004 0.00012 0.00012 0.00013 -0.00011 -0.00001 -0.00001 0.00003 -0.00011 -0.00006 0.00005 -0.00005 0.00015 0.00005 -0.00003 -0.00001 -0.00002 -0.00003 -0.00001 -0.00003 -0.00003 -0.00001 -0.00003 -0.00004 -0.00009 -0.00004 -0.00010 -0.00005 -0.00010 0.00003 0.00004 0.00003 0.00004 0.00005 0.00004 0.00004 0.00005 0.00005 0.00004 0.00004 0.00004 0.00001 0.00001 0.00001 0.00003 0.00003 0.00003 -0.00000 -0.00000 -0.00000 0.00003 0.00003 0.00003 0.00001 0.00001 0.00001 -0.00003 -0.00002 0.00008 0.00008 0.00002 0.00004 0.00002 0.00003 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00003 -0.00002 0.00003 0.00002 0.00005 0.00003 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00002 0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00002 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00000 0.00002 0.00003 -0.00001 0.00001 0.00001 -0.00001 -0.00002 0.00002 0.00002 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00002 0.00001 -0.00000 -0.00007 -0.00007 -0.00009 0.00008 0.00010 0.00006 -0.00007 0.00001 0.00002 0.00005 -0.00021 -0.00018 0.00001 -0.00007 0.00024 0.00017 -0.00004 -0.00002 -0.00004 -0.00004 -0.00002 -0.00004 -0.00003 -0.00001 -0.00003 -0.00005 -0.00009 -0.00004 -0.00008 -0.00003 -0.00006 0.00006 0.00006 0.00007 0.00005 0.00004 0.00006 0.00004 0.00003 0.00005 0.00008 0.00009 0.00008 0.00007 0.00008 0.00007 0.00008 0.00008 0.00008 0.00010 0.00010 0.00010 0.00012 0.00013 0.00012 0.00012 0.00012 0.00012 -0.00026 -0.00025 -0.00018 -0.00017 0.00004 0.00008 0.00002 0.00007 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 -0.00005 -0.00004 0.00013 0.00013 0.00018 0.00017 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00001 0.00000 0.00000 -0.00000 -0.00021 -0.00021 -0.00021 -0.00021 -0.00020 -0.00021 2.28578 2.54624 2.72394 2.28480 2.79087 2.41164 2.61932 2.64461 1.90668 2.93441 2.91574 2.90718 2.90295 2.89867 2.07178 2.06448 2.05963 2.06365 2.06677 2.06557 2.06612 2.06666 2.06311 2.06524 2.79903 2.65247 2.63574 2.63911 2.82503 2.63091 2.04912 2.63990 2.04717 2.64161 2.85094 2.05033 2.06964 2.06406 2.06395 2.05546 2.06163 2.06225 2.01684 1.86880 1.90107 2.16838 2.19773 1.94953 1.83175 1.89715 1.92158 1.97900 1.87768 1.94464 1.95875 1.83804 1.92665 1.88775 1.90432 2.21282 2.25699 1.81329 1.91709 1.92243 1.92002 1.91509 1.90460 1.88424 1.92997 1.92490 1.95307 1.88412 1.89393 1.87564 1.91920 1.95966 1.92833 1.87505 1.88978 1.88969 2.00829 2.17648 2.09795 2.11824 2.08644 2.07706 2.08998 2.09178 2.09864 2.10580 2.08302 2.09409 2.12008 2.07146 2.09151 2.06174 2.10807 2.11319 2.11127 2.08430 2.08756 2.15400 1.95505 2.17362 1.92960 1.94508 1.94498 1.87665 1.87585 1.88882 1.84034 1.92326 1.92714 1.93301 1.93449 1.90514 0.00644 3.11491 3.13848 1.05179 -1.05419 2.12654 0.04472 -1.96006 -0.05650 3.11801 3.11720 -0.01170 0.15733 -2.97156 0.04529 -3.12762 3.00133 -0.17158 -1.03289 1.13785 -3.07553 0.99496 -3.11749 -1.04768 3.09947 -1.01297 1.05683 3.13618 -0.01856 1.03572 -2.11901 -1.12871 1.99974 3.10851 -1.06333 1.01169 -0.99533 1.11601 -3.09215 1.13384 -3.03800 -0.96298 1.09921 -3.10130 -1.01437 -1.08948 0.99319 3.08012 3.11142 -1.08910 0.99783 -3.10054 1.09600 -1.01552 -0.91986 -3.00650 1.16516 1.15235 -0.93429 -3.04581 -1.13342 1.94985 2.04268 -1.15724 3.05276 -0.16879 -0.03082 3.03082 -3.07130 0.04504 0.01335 3.12969 0.02608 -3.13333 -3.03524 0.08853 2.63175 -0.54340 -0.59019 2.51784 0.00970 3.14007 -3.10648 0.02389 -0.00315 -3.12374 -3.12672 0.03588 -0.01479 3.13806 3.10573 -0.02461 1.54856 -2.64849 -0.53648 -1.57140 0.51474 2.62674 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.000662 0.000185 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.025134e-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 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 2 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 21 21 21 8 19 21 19 6 12 8 12 32 7 8 9 10 11 22 23 24 25 26 27 28 29 30 31 13 14 15 16 19 18 33 17 34 18 20 35 36 37 38 39 40 41 1.2096 1.3474 1.4414 1.2091 1.4769 1.2762 1.3861 1.3995 1.009 1.5528 1.5429 1.5384 1.5362 1.5339 1.0963 1.0925 1.0899 1.092 1.0937 1.093 1.0933 1.0936 1.0917 1.0929 1.4812 1.4036 1.3948 1.3966 1.4949 1.3922 1.0843 1.397 1.0833 1.3979 1.5087 1.085 1.0952 1.0923 1.0922 1.0877 1.091 1.0913 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 19 6 8 8 12 4 4 4 7 7 8 6 6 6 10 10 11 1 1 5 6 6 6 23 23 24 7 7 7 26 26 27 7 7 7 29 29 30 4 4 5 12 12 14 13 13 16 13 13 18 14 14 17 16 16 18 15 15 17 2 2 3 17 17 17 36 36 37 2 2 2 39 39 40 2 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 12 12 32 32 7 8 9 8 9 9 10 11 22 11 22 22 5 6 6 23 24 25 24 25 25 26 27 28 27 28 28 29 30 31 30 31 31 5 13 13 14 15 15 16 19 19 18 33 33 17 34 34 18 20 20 17 35 35 3 14 14 36 37 38 37 38 38 39 40 41 40 41 41 115.5573 107.0752 108.9235 124.2383 125.9194 111.7006 104.9511 108.6983 110.0992 113.3893 107.582 111.4185 112.2282 105.3125 110.3887 108.1603 109.1097 126.7855 129.3156 103.8942 109.8411 110.1465 110.0087 109.7273 109.1268 107.9587 110.5783 110.288 111.9022 107.9527 108.5148 107.467 109.962 112.2802 110.4848 107.4329 108.2766 108.2712 115.0656 124.7042 120.2036 121.3661 119.5445 119.0066 119.7473 119.8505 120.2423 120.6537 119.348 119.9825 121.4715 118.6857 119.8349 118.1289 120.7836 121.0764 120.9671 119.4217 119.608 123.4144 112.0166 124.5395 110.5576 111.445 111.4387 107.5244 107.4784 108.222 105.4449 110.1948 110.4178 110.7529 110.8381 109.1552 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 21 21 19 19 19 12 12 12 6 6 12 12 32 32 8 8 32 32 4 4 4 8 8 8 9 9 9 4 4 7 7 9 9 4 4 4 7 7 7 8 8 8 6 6 6 11 11 11 22 22 22 6 6 6 10 10 10 22 22 22 4 4 5 5 12 12 15 15 12 12 14 14 13 13 19 19 13 13 16 16 13 13 33 33 14 14 34 34 16 16 20 20 16 16 16 18 18 2 2 2 2 2 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 19 19 21 21 21 6 6 6 12 12 8 8 8 8 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 18 18 18 18 17 17 17 17 18 18 18 18 20 20 20 20 20 3 14 39 40 41 7 8 9 5 13 1 6 1 6 4 13 4 13 10 11 22 10 11 22 10 11 22 1 5 1 5 1 5 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 14 15 14 15 16 19 16 19 18 33 18 33 17 34 17 34 2 3 2 3 17 35 17 35 18 20 18 20 15 35 15 35 36 37 38 36 37 0.3686 178.4714 179.8258 60.2668 -60.3958 121.8373 2.5566 -112.3066 -3.233 178.6486 178.6011 -0.6733 9.0265 -170.2479 2.5945 -179.1954 171.9494 -9.8405 -59.1782 65.1952 -176.2127 57.0091 -178.6175 -60.0254 177.5883 -58.0383 60.5538 179.6928 -1.0584 59.345 -121.4062 -64.6686 114.5803 178.1008 -60.9278 57.9613 -57.0309 63.9404 -177.1705 64.9619 -174.0667 -55.1777 62.9755 -177.6966 -58.1238 -62.4269 56.901 176.4738 178.2666 -62.4055 57.1673 -177.6536 62.7903 -58.1903 -52.7112 -172.2674 66.7521 66.0181 -53.538 -174.5186 -64.9251 111.7324 117.0471 -66.2954 174.9081 -9.6755 -1.767 173.6494 -175.971 2.5815 0.7657 179.3182 1.495 -179.5272 -173.9033 5.0746 150.7808 -31.1417 -33.8257 144.2518 0.5558 179.912 -177.9876 1.3687 -0.1802 -178.9769 -179.1465 2.0569 -0.8477 179.7973 177.9453 -1.4098 88.7383 -151.7353 -30.7261 -90.0226 29.5038 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 Grimme-D3 -0.0443411323 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3851,-.0678,-2.1887;2.3306,2.1657,.993;.8745,2.0998,-.7017;-1.1431,.1105,.5595;-1.2169,-.5642,-1.5762;-2.4852,.3964,.0708;-3.5532,-.3461,.8998;-2.4955,-.0942,-1.3808;-2.6975,1.911,.0572;-3.3452,-1.8576,.8663;-3.6001,.1457,2.3425;-.4934,-.3859,-.4088;.9155,-.8107,-.3401;1.9275,.0884,-.0037;1.2374,-2.1454,-.5401;3.2281,-.3686,.1602;3.5572,-1.706,-.0371;2.5434,-2.5855,-.397;1.6288,1.547,.0507;4.9661,-2.1827,.1561;2.1433,3.5708,1.1043;-4.5137,-.1248,.4223;-3.7004,2.1522,-.2947;-2.5633,2.3212,1.056;-1.9749,2.3986,-.5966;-2.3916,-2.1339,1.3185;-4.1326,-2.359,1.4302;-3.3763,-2.2608,-.1469;-4.3223,-.4374,2.9152;-3.903,1.1894,2.4176;-2.6272,.0402,2.8229;-.8386,-.8419,-2.4664;.4566,-2.8541,-.7865;4.0097,.3325,.4245;2.7727,-3.6316,-.5593;5.1603,-2.4057,1.2069;5.1649,-3.0909,-.4113;5.6909,-1.4311,-.1548;2.7832,3.8936,1.9208;1.1066,3.8152,1.3356;2.4291,4.0894,.1889; 0.000000 6.912304 0.000000 5.005407 2.235188 0.000000 3.551219 4.059302 3.101419 0.000000 2.307119 5.161105 3.497960 2.240959 0.000000 2.476066 5.212648 3.845231 1.456604 2.289968 0.000000 3.105590 6.398152 5.305847 2.476462 3.411224 1.542483 0.000000 1.201969 5.833778 4.078269 2.373997 1.376252 1.532326 2.526506 0.000000 3.071197 5.120698 3.656595 2.431067 3.314579 1.529414 2.556686 2.475721 0.000000 3.540988 6.958219 5.993809 2.969294 3.488342 2.540295 1.526110 2.980134 3.908499 0.000000 4.541327 6.408885 5.753906 3.035927 4.641063 2.542897 1.524930 3.891064 3.025478 2.501419 0.000000 3.410476 4.055872 2.852318 1.267356 1.384930 2.193000 3.328141 2.244673 3.217254 3.453212 4.183733 0.000000 4.739685 3.555026 2.933151 2.428164 2.477047 3.631907 4.660789 3.637559 4.540823 4.550319 5.338709 1.473163 0.000000 5.746531 2.339010 2.375271 3.121910 3.575731 4.424037 5.571644 4.636083 4.971521 5.687263 6.005143 2.499954 1.394845 0.000000 5.329365 4.704299 4.263731 3.459056 3.097937 4.548805 5.316095 4.341572 5.682786 4.802215 6.079442 2.471577 1.387440 2.398656 0.000000 7.024434 2.814582 3.517874 4.415503 4.776127 5.764976 6.821582 5.933841 6.349792 6.776732 7.186867 3.764796 2.407038 1.388272 2.758648 0.000000 7.450403 4.189919 4.703441 5.074270 5.144334 6.398565 7.299632 6.406167 7.225777 6.962889 7.766414 4.276429 2.805652 2.424173 2.413990 1.391300 0.000000 6.685549 4.954932 4.983013 4.666247 4.428999 5.864928 6.623095 5.706638 6.920371 6.066418 7.259927 3.749746 2.408997 2.771956 1.385567 2.386205 1.389563 0.000000 5.723765 1.327806 1.200246 3.163186 3.898940 4.271856 5.581912 4.663992 4.341542 6.082502 5.878493 2.907027 2.494019 1.489898 3.759759 2.497896 3.782626 4.256139 0.000000 8.928276 5.153191 5.984746 6.537907 6.621933 7.885484 8.746719 7.899404 8.689003 8.347920 9.142273 5.775281 4.305344 3.796917 3.793310 2.512299 1.499907 2.517474 5.005980 0.000000 7.392299 1.421874 2.652378 4.803185 5.964381 5.706758 6.916185 6.412998 5.223442 7.723146 6.800742 4.989668 4.773995 3.660791 6.016564 4.193702 5.580866 6.349342 2.338911 6.478463 0.000000 2.845108 7.239873 5.936782 3.381579 3.880217 2.123726 1.095198 2.706505 2.752544 2.136590 2.143566 4.113616 5.525243 6.458792 6.171244 7.750091 8.237116 7.518575 6.376764 9.704254 7.644467 0.000000 2.935084 6.166937 4.593332 3.382014 3.897276 2.166356 2.773045 2.770809 1.089928 4.189551 3.315234 4.091445 5.485225 6.001478 6.550683 7.386901 8.223418 7.838474 5.374585 9.700707 6.174049 2.521945 0.000000 4.112255 4.896690 3.867407 2.674024 4.131160 2.163638 2.849333 3.431698 1.088088 4.255518 2.731791 3.709214 4.884649 5.125949 6.078060 6.448075 7.407606 7.229452 4.379865 8.819669 4.869843 3.191964 1.773746 0.000000 3.256783 4.595395 2.866954 2.695190 3.211304 2.171341 3.501992 2.664622 1.089683 4.704628 4.044170 3.159702 4.326659 4.573569 5.565076 5.941525 6.911191 6.730274 3.759079 8.350626 4.607203 3.721797 1.769034 1.755949 0.000000 4.190045 6.394634 5.716038 2.678089 3.496157 2.822756 2.172745 3.384880 4.247989 1.090898 2.775868 3.105211 3.929282 5.034024 4.077314 6.003280 6.116283 5.244172 5.596415 7.449139 7.290706 3.056571 4.762947 4.466094 4.938135 0.000000 4.347979 7.901675 7.035425 3.974120 4.556425 3.486290 2.160722 3.963699 4.709273 1.090573 2.718330 4.529788 5.569131 6.691085 5.724083 7.730139 7.855725 6.925266 7.096012 9.189196 8.640316 2.480392 4.848950 4.950423 5.603452 1.759047 0.000000 2.996415 7.311667 6.114875 3.333007 3.095832 2.811075 2.189253 2.644297 4.231527 1.090948 3.469602 3.448874 4.534271 5.802490 4.631850 6.876949 6.956467 5.933839 6.291945 8.348234 8.126361 2.485962 4.427284 4.806464 4.886331 1.770009 1.751815 0.000000 5.202435 7.398086 6.821027 3.994609 5.461921 3.487260 2.159126 4.680890 4.040207 2.677633 1.090707 5.070752 6.178342 6.917846 6.765156 8.037664 8.509522 7.919819 6.896280 9.845499 7.819741 2.519683 4.170859 3.763044 5.087872 3.025785 2.435970 3.687325 0.000000 4.802792 6.468365 5.777833 3.497618 5.122541 2.854179 2.187173 4.249264 2.746922 3.464315 1.089337 4.700569 5.901142 6.408535 6.803844 7.640411 8.370335 7.982962 6.027475 9.754292 6.629703 2.466003 2.885244 2.220307 3.776961 3.812657 3.690325 4.330992 1.752067 0.000000 5.069786 5.696125 5.378377 2.707484 4.659015 2.778699 2.169136 4.207938 3.339792 2.818728 1.090156 3.895989 4.824925 5.360710 5.569727 6.445305 7.033858 6.633045 5.298016 8.349338 6.178673 3.057606 3.915612 2.886010 4.204896 2.654321 3.156269 3.830828 1.763523 1.764250 0.000000 2.675992 5.572843 3.834455 3.186852 1.006328 3.268346 4.352706 2.117315 4.171591 4.292042 5.632610 2.135622 2.756634 3.818643 3.117624 4.864314 5.096203 4.331364 4.258045 6.509255 6.412011 4.729178 4.676612 5.038541 3.910040 4.290262 5.323077 3.719251 6.423523 6.113091 5.652791 0.000000 4.948567 5.645925 4.972229 3.627620 2.944093 4.467072 5.021164 4.084768 5.776301 4.263615 5.936812 2.671532 2.141355 3.381497 1.082923 3.841259 3.390209 2.139785 4.630827 4.655653 6.906456 5.797742 6.525731 6.268786 5.791302 3.614137 5.120519 3.930881 6.510094 6.754385 5.560082 2.923760 0.000000 7.853135 2.550118 3.771041 5.159317 5.667777 6.504765 7.608116 6.764544 6.900156 7.686715 7.849935 4.635512 3.386035 2.139703 3.841314 1.082708 2.138517 3.367455 2.698760 2.704319 3.798935 8.535620 7.954504 6.896156 6.412980 6.918006 8.634373 7.848789 8.730306 8.204667 7.062980 5.765646 4.923964 0.000000 7.298934 6.017732 6.039214 5.530677 5.134175 6.653343 7.276017 6.398637 7.811697 6.527484 7.956139 4.606994 3.384450 3.854991 2.136878 3.372215 2.143818 1.083102 5.338366 2.724309 7.418724 8.145700 8.684647 8.155786 7.674915 5.695553 7.298021 6.313397 8.521412 8.756029 7.353903 4.945806 2.453684 4.267528 0.000000 9.487874 5.380616 6.504628 6.817857 7.197566 8.221649 8.958865 8.405422 9.038805 8.529911 9.194726 6.217241 4.791173 4.258727 4.302157 2.996425 2.146404 3.074544 5.425148 1.091572 6.695623 9.970145 10.076780 9.056463 8.788913 7.557617 9.295711 8.644434 9.834252 9.825135 8.320983 7.205930 5.128302 3.071475 3.212862 0.000000 9.241218 6.134931 6.740543 7.140170 6.961874 8.421210 9.233510 8.282630 9.330303 8.693350 9.740794 6.271585 4.822991 4.555709 4.041694 3.389470 2.154707 2.669757 5.850435 1.089185 7.470305 10.157113 10.300332 9.548178 9.008066 7.810795 9.506319 8.585431 10.397781 10.418708 8.998905 6.732230 4.729123 3.708511 2.456927 1.757340 0.000000 9.400478 5.054331 5.996977 7.042050 7.105572 8.380855 9.367124 8.384999 9.032115 9.103604 9.749101 6.277123 4.819060 4.061370 4.526813 2.700621 2.154576 3.361263 5.041037 1.089503 6.260178 10.304038 10.052685 9.147508 8.580563 8.245716 9.993749 9.105043 10.520332 10.272628 8.956699 6.951625 5.460953 2.504498 3.677155 1.756649 1.759994 0.000000 8.404031 2.012774 3.706434 5.619642 6.935477 6.588464 7.692017 7.393753 6.118934 8.470223 7.414205 5.871677 5.543445 4.349154 6.701790 4.632901 5.982230 6.885356 3.214983 6.693326 1.086379 8.463889 7.069540 5.639583 5.586699 7.966919 9.336147 8.949297 8.380590 7.229422 6.703347 7.402003 7.633696 4.052661 7.923273 6.770616 7.739131 6.412086 0.000000 6.904624 2.082382 2.673371 4.403228 5.749465 5.117487 6.262619 5.969745 4.442030 7.226304 6.052441 4.822057 4.923771 4.044361 6.250111 4.835991 6.194596 6.784960 2.658643 7.229267 1.089900 6.924300 5.341493 3.972204 3.903302 6.901440 8.098103 7.694904 7.074813 5.758636 5.514017 6.318873 7.028904 4.624600 7.862624 7.426222 8.198523 7.124656 1.777483 0.000000 7.532626 2.087334 2.677400 5.360034 6.169696 6.148361 7.481136 6.649735 5.571795 8.316763 7.519431 5.378368 5.155772 4.036989 6.389398 4.529191 5.908508 6.701607 2.669014 6.765926 1.090278 8.125088 6.446577 5.366786 4.782357 7.952688 9.283272 8.610471 8.573587 7.312507 6.992901 6.484383 7.283881 4.082667 7.764777 7.119180 7.707285 6.421347 1.778474 1.771733 0.000000 C16H20N2O3 C1 1 C1 1 C1 1 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3368,-.7922,-2.1363;2.1491,2.4983,.4824;.718,1.9726,-1.1522;-1.1406,.1203,.501;-1.1405,-.9754,-1.4538;-2.4974,.1907,-.0244;-3.5081,-.4543,.9461;-2.455,-.582,-1.347;-2.8329,1.6487,-.3418;-3.1766,-1.9191,1.2167;-3.6075,.3131,2.2601;-.4441,-.5064,-.3524;.9942,-.7916,-.2109;1.9262,.2367,-.0711;1.4261,-2.1082,-.1399;3.2584,-.0696,.1711;3.6976,-1.3877,.2452;2.7624,-2.4019,.0785;1.5085,1.6468,-.3098;5.1392,-1.6985,.5192;1.8464,3.8768,.3093;-4.4793,-.4134,.4416;-3.8492,1.7308,-.7269;-2.7414,2.2616,.5526;-2.1471,2.0519,-1.0864;-2.2076,-2.0194,1.7076;-3.9252,-2.3592,1.8766;-3.1659,-2.5197,.306;-4.2844,-.1996,2.9446;-3.9955,1.322,2.1255;-2.6334,.3868,2.744;-.7331,-1.3951,-2.2727;.7081,-2.9137,-.2318;3.9776,.7321,.2821;3.0781,-3.4367,.1289;5.3419,-1.6881,1.5917;5.4165,-2.6831,.1451;5.8026,-.9683,.057;2.4507,4.4091,1.0385;.7912,4.0771,.4949;2.0966,4.2217,-.6942; 0.4654988 0.2143323 0.1766918 -19.18255 -19.11923 -19.10351 -14.35931 -14.29414 -10.31210 -10.27572 -10.25601 -10.23289 -10.20926 -10.20915 -10.20866 -10.20526 -10.19910 -10.19565 -10.19512 -10.18343 -10.17492 -10.15761 -10.15168 -10.14895 -1.13149 -1.06436 -1.03927 -1.00571 -0.89552 -0.89026 -0.82304 -0.80242 -0.79303 -0.75126 -0.74187 -0.72055 -0.68617 -0.66842 -0.65270 -0.62899 -0.61443 -0.61025 -0.57809 -0.56169 -0.54734 -0.52170 -0.51172 -0.50051 -0.49695 -0.48628 -0.47768 -0.46375 -0.45325 -0.44776 -0.44371 -0.43698 -0.43511 -0.42909 -0.41784 -0.41040 -0.40449 -0.39302 -0.38495 -0.38282 -0.38084 -0.37894 -0.37308 -0.37236 -0.36718 -0.35115 -0.33783 -0.33447 -0.32974 -0.32170 -0.30399 -0.29732 -0.28042 -0.27168 -0.25303 -0.24762 -0.06030 -0.04333 -0.01000 -0.00639 0.00302 0.00647 0.01613 0.01875 0.02020 0.02285 0.03007 0.03224 0.03729 0.03941 0.04095 0.04800 0.04948 0.05198 0.06006 0.06162 0.06547 0.06799 0.07666 0.07756 0.08128 0.08902 0.09052 0.09371 0.09451 0.10008 0.10180 0.10732 0.10901 0.11187 0.11689 0.12399 0.12499 0.12908 0.13227 0.13633 0.13929 0.14053 0.14431 0.14698 0.15089 0.15512 0.15914 0.16384 0.16633 0.16836 0.17217 0.17549 0.17963 0.18430 0.18470 0.18695 0.19000 0.19424 0.19629 0.19846 0.20374 0.20698 0.21146 0.21230 0.21508 0.21872 0.22113 0.22340 0.22564 0.22777 0.22834 0.23564 0.23996 0.24598 0.24735 0.24893 0.25293 0.25689 0.25727 0.25888 0.26208 0.26398 0.26821 0.27121 0.27528 0.27752 0.27916 0.28655 0.29213 0.29554 0.29705 0.30236 0.30300 0.30435 0.30771 0.31645 0.31895 0.31997 0.32658 0.33045 0.33798 0.33941 0.34519 0.34869 0.35058 0.35781 0.35856 0.36852 0.37188 0.37430 0.37746 0.38506 0.39061 0.39682 0.40034 0.40318 0.40788 0.41243 0.42037 0.42606 0.43289 0.43687 0.44646 0.45077 0.45718 0.46523 0.46685 0.47671 0.49344 0.49699 0.50390 0.51035 0.52200 0.52861 0.53539 0.53907 0.54077 0.54510 0.54683 0.55581 0.55930 0.56442 0.57368 0.58540 0.58802 0.59523 0.59859 0.60407 0.61201 0.61611 0.62581 0.63351 0.63834 0.64308 0.64359 0.65155 0.66223 0.66805 0.67394 0.67478 0.67672 0.68320 0.68673 0.68989 0.69286 0.69455 0.69852 0.70560 0.70701 0.71190 0.71587 0.72209 0.72566 0.73013 0.73749 0.74833 0.75343 0.75886 0.76367 0.77121 0.77587 0.78164 0.78652 0.79284 0.80405 0.80886 0.81859 0.82883 0.83958 0.84537 0.85130 0.85992 0.86896 0.88275 0.89443 0.90686 0.91062 0.92786 0.93277 0.94059 0.94575 0.95121 0.96285 0.97074 0.98134 0.99091 1.00013 1.00921 1.01717 1.01960 1.03086 1.05081 1.05779 1.06189 1.06793 1.08689 1.09455 1.10197 1.11578 1.12768 1.13972 1.14740 1.15838 1.18305 1.18922 1.19517 1.20625 1.20841 1.22141 1.23852 1.24976 1.25760 1.26484 1.28022 1.29418 1.31116 1.31292 1.31973 1.33807 1.34619 1.34910 1.35632 1.35895 1.38028 1.38347 1.40398 1.41080 1.42794 1.44120 1.45110 1.47170 1.47620 1.48716 1.49040 1.49226 1.50341 1.50861 1.51739 1.52513 1.53322 1.54498 1.55050 1.55151 1.55754 1.56358 1.56811 1.57534 1.58485 1.59085 1.59763 1.60232 1.60597 1.61412 1.61747 1.62975 1.63397 1.64392 1.66213 1.66375 1.67020 1.67432 1.68640 1.69314 1.69857 1.70601 1.70880 1.71449 1.72469 1.73004 1.73432 1.75793 1.77017 1.77278 1.78298 1.79039 1.79764 1.80106 1.81228 1.81588 1.82748 1.84252 1.84539 1.86175 1.87158 1.87297 1.89249 1.90914 1.91321 1.91962 1.93554 1.94550 1.95940 1.96874 1.97880 1.98944 1.99781 2.01167 2.01965 2.02619 2.03865 2.05321 2.06237 2.07119 2.08381 2.09115 2.10144 2.11669 2.12148 2.13019 2.13868 2.16833 2.17255 2.19654 2.20667 2.21763 2.23240 2.24019 2.26008 2.29710 2.30099 2.31548 2.32481 2.33116 2.34975 2.36363 2.37327 2.39755 2.41108 2.42177 2.42315 2.43224 2.43378 2.45547 2.47447 2.49187 2.49255 2.51088 2.52306 2.53607 2.54169 2.54464 2.54799 2.55171 2.56053 2.56564 2.57443 2.58302 2.58995 2.60122 2.60743 2.61646 2.61840 2.64104 2.64498 2.65701 2.66750 2.68625 2.69781 2.70950 2.72432 2.72682 2.73353 2.73711 2.75013 2.75883 2.76988 2.78522 2.79430 2.80802 2.82046 2.82776 2.83580 2.84390 2.85722 2.86370 2.87576 2.88044 2.88983 2.89569 2.90653 2.92288 2.92789 2.93527 2.95283 2.95874 2.96468 2.97976 3.00656 3.02579 3.03499 3.04685 3.05837 3.06641 3.08696 3.10993 3.11476 3.12170 3.16236 3.19433 3.19876 3.21277 3.23312 3.25636 3.26649 3.27424 3.31816 3.36068 3.37862 3.40074 3.41583 3.42753 3.46679 3.51802 3.55289 3.56050 3.58182 3.60980 3.64043 3.66850 3.67373 3.70126 3.76511 3.77442 3.79910 3.80379 3.81381 3.81994 3.82554 3.83279 3.83646 3.85970 3.86593 3.87210 3.96704 3.99445 4.04949 4.06427 4.07561 4.12035 4.13212 4.17777 4.21597 4.25874 4.32514 4.33731 4.37245 4.38199 4.61925 4.80850 4.85690 4.91295 5.03481 5.13488 5.13821 5.20646 5.27114 5.31043 5.38886 5.66524 5.83984 5.89705 23.59203 23.82860 23.86688 23.88001 23.92403 23.92751 23.93816 23.96042 23.96942 23.99184 23.99774 24.00647 24.02768 24.09017 24.10237 24.19179 35.59614 35.76364 49.89536 50.03076 50.08252 1-A. 5.1411 -0.3358 1.5948 5.3932 -121.0560 -110.2120 -134.2742 -3.7933 -8.2497 2.0818 0.7914 11.6354 -12.4268 -3.7933 -8.2497 2.0818 94.7994 48.5984 -3.1206 34.0784 14.1749 45.1360 20.2650 3.4807 4.0118 8.0914 -5647.8563 -2011.2963 -946.8680 -70.0857 -102.3692 85.7696 47.2879 -21.5153 9.9625 -1259.9317 -1230.2007 -544.3548 -61.1959 12.4854 1.8251 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3763,.0639,-2.1838;2.4667,2.2288,.8643;.8114,2.1111,-.658;-1.1647,.0629,.632;-1.2111,-.4932,-1.5564;-2.512,.399,.129;-3.6194,-.3813,.8879;-2.4963,-.0138,-1.3576;-2.6928,1.9258,.1855;-3.4288,-1.8996,.7526;-3.7005,.0174,2.3669;-.4957,-.3843,-.3585;.921,-.8119,-.2951;1.948,.1019,-.0119;1.2398,-2.1608,-.4512;3.2583,-.3551,.145;3.5824,-1.7058,-.0038;2.5536,-2.6002,-.313;1.6529,1.5671,.0186;4.9992,-2.1859,.1917;2.2706,3.6555,.9275;-4.5579,-.1091,.3908;-3.6722,2.1982,-.2145;-2.6048,2.2764,1.2137;-1.916,2.4161,-.4051;-2.4854,-2.2109,1.2102;-4.2397,-2.4299,1.2585;-3.4297,-2.2192,-.2929;-4.4616,-.5823,2.874;-3.9701,1.0671,2.4984;-2.7419,-.1548,2.8626;-.8217,-.7159,-2.4602;.4492,-2.8732,-.6591;4.0363,.3641,.371;2.779,-3.6542,-.4372;5.1769,-2.4425,1.2415;5.2043,-3.0781,-.4041;5.7233,-1.4165,-.085;2.9992,4.0163,1.65;1.2553,3.8819,1.2563;2.4388,4.1066,-.0519; 0.000000 6.936769 0.000000 4.904616 2.252031 0.000000 3.580537 4.234660 3.124749 0.000000 2.322124 5.176396 3.417484 2.258421 0.000000 2.491733 5.355002 3.820346 1.476872 2.308466 0.000000 3.113357 6.622238 5.313518 2.507651 3.433231 1.552815 0.000000 1.209581 5.881987 3.993120 2.395335 1.386083 1.542945 2.537440 0.000000 3.089888 5.212761 3.608994 2.450438 3.328781 1.538418 2.583529 2.486253 0.000000 3.532860 7.198154 6.004530 2.998683 3.496847 2.552107 1.536174 2.979750 3.936600 0.000000 4.562482 6.721828 5.821572 3.072823 4.674402 2.562468 1.533913 3.914413 3.068511 2.520827 0.000000 3.439559 4.135137 2.832796 1.276183 1.399476 2.217346 3.363182 2.266700 3.234074 3.483382 4.226105 0.000000 4.775031 3.602750 2.947478 2.444360 2.497602 3.664896 4.711666 3.666581 4.559063 4.604477 5.397428 1.481173 0.000000 5.750416 2.358088 2.397138 3.178870 3.566439 4.472114 5.660326 4.645060 4.990237 5.787983 6.129594 2.515612 1.403625 0.000000 5.409240 4.743883 4.298241 3.449621 3.163733 4.578801 5.345256 4.403407 5.707058 4.828410 6.090433 2.485290 1.394777 2.411270 0.000000 7.043981 2.796531 3.565735 4.469360 4.784302 5.819412 6.917788 5.957397 6.373351 6.890036 7.314462 3.787776 2.421938 1.396556 2.773167 0.000000 7.503897 4.180839 4.761830 5.105662 5.182539 6.449017 7.376701 6.453452 7.252730 7.054591 7.850555 4.301564 2.822632 2.437005 2.427977 1.396974 0.000000 6.764724 4.971209 5.034905 4.670231 4.489816 5.903486 6.668717 5.769118 6.946753 6.116850 7.290283 3.769721 2.421513 2.785432 1.392212 2.397272 1.397877 0.000000 5.692330 1.347413 1.209068 3.252329 3.863582 4.326949 5.687602 4.648519 4.363613 6.195175 6.047731 2.926824 2.508752 1.494937 3.779979 2.507638 3.799379 4.276379 0.000000 8.991908 5.133810 6.060061 6.576089 6.670008 7.943806 8.832989 7.956244 8.721966 8.451508 9.234268 5.808863 4.330934 3.819076 3.814053 2.526825 1.508654 2.531255 5.031218 0.000000 7.380186 1.441439 2.651140 4.979485 5.958429 5.840806 7.140688 6.434947 5.308263 7.960701 7.138768 5.062178 4.824310 3.689760 6.065638 4.203838 5.597399 6.383729 2.359886 6.489103 0.000000 2.838075 7.418535 5.904034 3.406065 3.891001 2.124228 1.096337 2.704763 2.767915 2.147467 2.157761 4.139833 5.566137 6.521746 6.207371 7.823928 8.304786 7.567960 6.443702 9.782149 7.815888 0.000000 2.919067 6.233044 4.506271 3.400544 3.886025 2.168206 2.805733 2.753559 1.092473 4.217438 3.379390 4.096333 5.492224 6.001867 6.571505 7.394645 8.241059 7.860983 5.367389 9.725171 6.224521 2.544509 0.000000 4.127176 5.083769 3.898853 2.704059 4.157698 2.170168 2.863395 3.445024 1.089907 4.281433 2.762874 3.741571 4.923975 5.192203 6.102612 6.514861 7.458027 7.260963 4.478773 8.875710 5.074799 3.190965 1.784717 0.000000 3.290758 4.566716 2.756036 2.679119 3.207228 2.170010 3.521196 2.673623 1.092035 4.717428 4.076995 3.140310 4.298944 4.521190 5.559623 5.895444 6.883608 6.719336 3.692885 8.328001 4.565065 3.740225 1.779845 1.764767 0.000000 4.181839 6.659924 5.747910 2.692353 3.496923 2.825134 2.176476 3.379480 4.266718 1.093689 2.789222 3.123530 3.978265 5.147633 4.079269 6.129414 6.208718 5.278633 5.728769 7.553676 7.557399 3.063303 4.783135 4.488898 4.933805 0.000000 4.337558 8.175327 7.057432 4.007813 4.565887 3.501998 2.172330 3.964988 4.745161 1.093049 2.740229 4.562593 5.627115 6.805328 5.746407 7.859141 7.956402 6.974845 7.227484 9.303537 8.917767 2.498076 4.889958 4.982447 5.625940 1.768577 0.000000 2.964956 7.476045 6.072115 3.345676 3.081806 2.806318 2.192776 2.620776 4.237054 1.093343 3.485756 3.461121 4.572553 5.863949 4.672525 6.956726 7.036809 5.995431 6.345475 8.442854 8.276125 2.488544 4.424766 4.812579 4.877465 1.775103 1.762832 0.000000 5.213203 7.742237 6.894448 4.038827 5.495648 3.506984 2.166637 4.700204 4.080100 2.702258 1.093627 5.120202 6.250412 7.062532 6.786355 8.191205 8.616837 7.965041 7.082357 9.963557 8.189622 2.529776 4.230082 3.791628 5.120814 3.053803 2.464349 3.711343 0.000000 4.825159 6.741847 5.823687 3.515992 5.146646 2.861174 2.194230 4.267178 2.778167 3.484577 1.091750 4.726513 5.937782 6.500589 6.801707 7.733803 8.425627 7.994537 6.165833 9.815918 6.936426 2.484136 2.954293 2.230864 3.803813 3.822213 3.720177 4.345539 1.761629 0.000000 5.090842 6.066679 5.491339 2.740506 4.688832 2.798561 2.172693 4.229654 3.390880 2.822750 1.092876 3.933628 4.880511 5.506718 5.555113 6.590004 7.114694 6.641298 5.510675 8.437047 6.586990 3.067503 3.983821 2.940843 4.239036 2.650207 3.161140 3.833015 1.772015 1.770433 0.000000 2.685201 5.526082 3.729135 3.207146 1.008971 3.286943 4.375891 2.124374 4.180765 4.303477 5.667937 2.152506 2.780952 3.786093 3.220787 4.854308 5.139097 4.421961 4.180899 6.563301 6.336233 4.738635 4.654049 5.062681 3.902622 4.298167 5.333742 3.709153 6.459082 6.138301 5.686251 0.000000 5.058246 5.693984 4.997366 3.590565 3.037443 4.482984 5.015579 4.164161 5.797852 4.240247 5.893412 2.679158 2.145630 3.393577 1.084348 3.857290 3.407266 2.150095 4.650154 4.679616 6.961168 5.814889 6.549995 6.273166 5.799595 3.541886 5.085244 3.950600 6.468892 6.710157 5.474918 3.084287 0.000000 7.846289 2.486797 3.809338 5.216281 5.655518 6.552867 7.709278 6.768036 6.910417 7.810139 7.997683 4.650970 3.395923 2.139240 3.856366 1.083315 2.151955 3.384283 2.692985 2.731684 3.776281 8.607226 7.945303 6.962169 6.343776 7.061769 8.779968 7.928130 8.909264 8.314047 7.240296 5.725616 4.940509 0.000000 7.400161 6.033380 6.095779 5.523834 5.212011 6.689070 7.308001 6.475227 7.839886 6.559786 7.957885 4.628417 3.398661 3.870365 2.144644 3.384251 2.151726 1.084987 5.360767 2.735136 7.453340 8.190383 8.713085 8.178206 7.674165 5.701861 7.323699 6.373930 8.533833 8.744107 7.322197 5.068603 2.467191 4.287338 0.000000 9.548432 5.413733 6.587948 6.845758 7.241161 8.272296 9.041479 8.457693 9.062481 8.636661 9.280440 6.242986 4.809674 4.297736 4.294807 3.039809 2.153114 3.053371 5.476412 1.095202 6.762397 10.046594 10.097651 9.100765 8.753684 7.665919 9.416675 8.745133 9.951142 9.877522 8.400521 7.257220 5.113616 3.152114 3.168082 0.000000 9.309484 6.104633 6.803644 7.176603 7.011893 8.480317 9.316633 8.342599 9.367495 8.789624 9.826335 6.304674 4.847097 4.568308 4.069498 3.391620 2.161937 2.694960 5.862501 1.092253 7.464599 10.234579 10.327991 9.605747 8.993629 7.905086 9.611165 8.677290 10.507336 10.477487 9.075190 6.791197 4.766349 3.716683 2.493061 1.764338 0.000000 9.455101 4.979441 6.074447 7.081453 7.148610 8.435723 9.450060 8.434983 9.059455 9.203016 9.842570 6.309991 4.844772 4.069811 4.559533 2.693592 2.161812 3.391125 5.047842 1.092191 6.218585 10.374841 10.067651 9.202249 8.552798 8.348157 10.104146 9.190408 10.638730 10.334627 9.052042 6.997805 5.501571 2.494868 3.714886 1.763768 1.769737 0.000000 8.424178 2.023836 3.707257 5.831283 6.952888 6.765436 7.982844 7.449025 6.238098 8.781945 7.835288 5.967697 5.604853 4.380567 6.757715 4.630434 5.984734 6.915898 3.236177 6.677880 1.087700 8.701376 7.161669 5.884112 5.562708 8.309808 9.701023 9.164433 8.849209 7.615051 7.199251 7.340780 7.700597 4.006215 7.952467 6.828238 7.707907 6.320283 0.000000 6.918325 2.086554 2.645306 4.564084 5.756325 5.252941 6.486400 6.006937 4.534362 7.457897 6.381851 4.886060 4.954852 4.046778 6.279291 4.816512 6.182640 6.794514 2.654862 7.208909 1.090971 7.104231 5.410947 4.180909 3.868615 7.149643 8.368682 7.846803 7.431599 6.063890 5.903647 6.266264 7.067478 4.570814 7.872882 7.441541 8.172665 7.059360 1.792835 0.000000 7.396236 2.089551 2.645439 5.459369 6.061623 6.187826 7.597806 6.560346 5.580835 8.435096 7.762961 5.373394 5.153170 4.034874 6.393523 4.540594 5.924000 6.712850 2.659294 6.797865 1.091295 8.180569 6.404129 5.512676 4.684804 8.108765 9.436458 8.632092 8.840927 7.537682 7.313949 6.299845 7.283175 4.091079 7.777823 7.215291 7.706597 6.425994 1.794023 1.778331 0.000000 C16H20N2O3 C1 1 C1 1 C1 1 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3382,-.4935,-2.2153;2.3151,2.4736,.4968;.6883,2.0271,-.9952;-1.1633,.0597,.5747;-1.1483,-.8085,-1.5101;-2.524,.2291,.0261;-3.5862,-.5056,.8882;-2.4645,-.3922,-1.385;-2.8053,1.7324,-.1395;-3.2948,-2.0113,.9746;-3.7101,.0963,2.2936;-.4552,-.4803,-.3395;.9857,-.7989,-.2124;1.9472,.2126,-.0629;1.3942,-2.1319,-.1709;3.2829,-.1285,.1608;3.6967,-1.4619,.2098;2.7324,-2.4582,.0317;1.5561,1.6439,-.2455;5.1396,-1.8133,.4751;2.025,3.8781,.3523;-4.5349,-.3712,.3553;-3.796,1.8784,-.5764;-2.7522,2.233,.8272;-2.0559,2.183,-.7936;-2.3382,-2.1897,1.474;-4.0748,-2.5159,1.5506;-3.2628,-2.478,-.0136;-4.4358,-.4732,2.8811;-4.0496,1.1337,2.2712;-2.7479,.0618,2.8107;-.735,-1.1331,-2.3714;.6545,-2.9179,-.2747;4.0093,.666,.2814;3.0279,-3.5017,.0618;5.3219,-1.9031,1.5513;5.4096,-2.7665,.0152;5.8147,-1.0454,.091;2.7201,4.3873,1.0161;.9933,4.0815,.6431;2.1742,4.1933,-.6818; 0.4627698 0.2099322 0.1728146 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= 601 601 601 601 601 MxSgAt= 41 MxSgA2= 41. 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. One-electron integral symmetry used in STVInt NBasis= 582 RedAO= T EigKep= 1.52D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 5.17D-07 NBFU= 579 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= 600 600 600 600 600 MxSgAt= 41 MxSgA2= 41. 1 2.02265193e+00 -1.32130842e-01 6.27444814e-01 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 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.010576982 0.000068551 -0.009025880 0.008952305 -0.001170502 0.009704909 -0.010037489 0.009376213 -0.009207674 0.002634794 0.003076599 0.011799035 0.001623671 -0.003752301 -0.007499364 -0.006550944 0.003568934 0.001200683 -0.003992943 -0.000559253 0.000434040 0.000479060 0.001334531 0.003212419 -0.000835656 0.006151816 -0.000198293 -0.000586704 -0.005034918 -0.000197234 -0.001038130 0.001724833 0.004475309 0.011724736 -0.003785028 -0.000518684 -0.003059094 -0.000335795 -0.000480177 0.000723340 0.002530283 0.000826198 -0.003097572 -0.004379383 -0.001494295 0.004767578 0.002563136 0.001354435 0.002598481 -0.000541810 0.000272718 0.000484750 -0.005289374 -0.000960126 0.001264654 -0.011346319 -0.001694463 0.003541459 -0.001278239 -0.000241673 -0.000251740 0.012422730 0.002935026 -0.000281955 0.000427707 -0.001315831 -0.001820499 -0.000584768 -0.000997955 0.000536812 -0.000118998 0.001385213 0.001787812 -0.000247230 -0.001162612 0.001963871 0.000207776 0.000563163 -0.001449293 -0.000690234 0.001099971 0.000463581 0.000162513 -0.002136384 -0.001448572 -0.001379426 0.000781653 -0.000284693 0.001721201 -0.000186352 0.001902764 -0.000369810 0.000250172 0.000326506 -0.000578237 -0.002265457 -0.001190887 -0.000370841 -0.000300415 -0.000437726 0.001620367 0.000314415 0.000402361 -0.001286295 -0.000141236 0.000224872 -0.000364888 0.002446020 -0.000012049 -0.001852102 -0.001021220 0.001147538 0.001799972 -0.000410619 0.001220420 -0.000489114 0.001302674 -0.001842071 -0.001568129 -0.000600177 0.000023633 -0.001384168 -0.002301928 0.012422730 0.003723729 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -957.269024116771 -957.269027094073 -0.000002977302 -957.269027030870 0.000000063203 -957.269027143023 -0.000000112153 -957.269027146611 -0.000000003588 -957.269027147121 -0.000000000510 -957.269027147223 -0.000000000103 -957.269027147437 -0.000000000214 -957.269027147157 0.000000000280 -957.269027147 9 9.532655054826e+02 -5.674671448868e+03 2.042476948161e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245984324 LenY= 4245620112 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. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT179053.300S Wed Jun 1 19:00:32 2022 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.325560 -0.029091 -0.190364 0.278156 -0.194655 0.252131 -0.053708 0.070432 -0.471105 -0.445732 -0.599478 -0.355861 0.521109 0.353648 -0.077418 0.055249 0.295859 -1.011273 -0.702851 -0.378572 -0.184265 0.163719 0.166383 0.156442 0.179263 0.149040 0.140330 0.139099 0.136641 0.137569 0.164469 0.310997 0.137090 0.133429 0.126662 0.177185 0.143520 0.148258 0.153347 0.166978 0.162927 -0.00000 -19.18131 -19.12238 -19.10434 -14.35956 -14.29699 -10.31575 -10.27780 -10.25917 -10.23430 -10.21356 -10.21304 -10.21228 -10.20869 -10.20196 -10.19866 -10.19845 -10.18594 -10.17694 -10.15867 -10.15307 -10.15074 -1.12218 -1.05844 -1.03431 -0.99813 -0.89258 -0.88415 -0.82004 -0.79972 -0.79073 -0.74843 -0.73748 -0.71878 -0.68444 -0.66658 -0.65191 -0.62757 -0.61129 -0.60679 -0.57469 -0.55806 -0.54482 -0.52060 -0.50819 -0.49731 -0.49449 -0.48396 -0.47428 -0.46323 -0.45211 -0.44523 -0.44281 -0.43586 -0.43485 -0.42741 -0.41794 -0.40987 -0.40382 -0.39230 -0.38419 -0.38205 -0.37944 -0.37823 -0.37393 -0.37303 -0.36717 -0.34928 -0.33724 -0.33412 -0.32835 -0.32127 -0.30285 -0.29696 -0.28094 -0.27174 -0.25379 -0.24739 -0.06516 -0.04384 -0.01348 -0.00649 0.00318 0.00648 0.01602 0.01752 0.01886 0.02278 0.02942 0.03142 0.03728 0.03881 0.04112 0.04674 0.04828 0.05084 0.05966 0.06099 0.06517 0.06779 0.07625 0.07808 0.08080 0.08850 0.08990 0.09259 0.09293 0.10018 0.10228 0.10714 0.10843 0.11050 0.11689 0.12217 0.12243 0.12911 0.13118 0.13675 0.13880 0.14039 0.14147 0.14483 0.15014 0.15359 0.15805 0.16280 0.16414 0.16802 0.17121 0.17482 0.17724 0.18369 0.18464 0.18546 0.18712 0.19294 0.19509 0.19713 0.20175 0.20481 0.20944 0.21061 0.21425 0.21669 0.22109 0.22339 0.22463 0.22652 0.22797 0.23637 0.23888 0.24358 0.24512 0.24840 0.25166 0.25329 0.25503 0.25713 0.25982 0.26354 0.26635 0.27090 0.27280 0.27601 0.27904 0.28311 0.28979 0.29150 0.29407 0.29712 0.30206 0.30302 0.30567 0.31224 0.31471 0.31694 0.32469 0.32896 0.33329 0.33552 0.34217 0.34638 0.34864 0.35470 0.35909 0.36461 0.36886 0.37352 0.37777 0.38302 0.39048 0.39424 0.39681 0.39892 0.40758 0.40868 0.41413 0.42246 0.42672 0.43335 0.44560 0.44758 0.45437 0.45600 0.46406 0.47213 0.48874 0.49188 0.49711 0.50219 0.51609 0.52619 0.53157 0.53613 0.53894 0.54280 0.54363 0.55336 0.56098 0.56185 0.56855 0.58119 0.58517 0.59452 0.59688 0.60216 0.61025 0.61294 0.62191 0.63264 0.63779 0.63947 0.64066 0.64641 0.65949 0.66482 0.67009 0.67191 0.67606 0.68099 0.68545 0.68656 0.69168 0.69493 0.69763 0.70214 0.70494 0.70812 0.71346 0.71918 0.72296 0.72912 0.73388 0.74606 0.74936 0.75675 0.76376 0.77216 0.77343 0.77967 0.78633 0.78905 0.80129 0.80749 0.81368 0.82456 0.83645 0.84440 0.85258 0.85836 0.86667 0.88132 0.89490 0.90446 0.91195 0.92830 0.93253 0.93879 0.94289 0.94992 0.95951 0.96656 0.97815 0.99065 0.99435 1.00135 1.01378 1.02260 1.02545 1.04882 1.05367 1.05645 1.06722 1.08205 1.09216 1.09532 1.11243 1.12058 1.13766 1.14786 1.15468 1.18291 1.18848 1.19027 1.20172 1.20614 1.21460 1.23426 1.24410 1.25654 1.25869 1.27847 1.29753 1.30274 1.31104 1.31684 1.33657 1.34280 1.34945 1.35341 1.35583 1.37970 1.38970 1.40275 1.40902 1.42781 1.43954 1.45109 1.46662 1.47120 1.48098 1.48656 1.48982 1.49774 1.50208 1.51027 1.51825 1.52513 1.54121 1.54546 1.54830 1.55271 1.55996 1.56311 1.56815 1.58199 1.58354 1.59161 1.59406 1.60038 1.61049 1.61378 1.62196 1.62625 1.63915 1.65421 1.65580 1.66447 1.66552 1.67786 1.68646 1.69273 1.70091 1.70500 1.70674 1.71423 1.72353 1.72994 1.75075 1.75792 1.76386 1.77612 1.78484 1.79043 1.79382 1.80330 1.81063 1.82173 1.83493 1.83966 1.84989 1.86396 1.86764 1.88655 1.90381 1.91159 1.91318 1.93064 1.93910 1.94706 1.95387 1.97400 1.97838 1.98511 2.00376 2.01141 2.01204 2.02721 2.04999 2.05685 2.06234 2.07206 2.08418 2.09568 2.11043 2.11385 2.12418 2.13135 2.16199 2.16354 2.18853 2.19216 2.21117 2.22226 2.23459 2.25053 2.28644 2.29280 2.30469 2.31343 2.32439 2.33412 2.35407 2.36465 2.39296 2.40069 2.41626 2.42069 2.42545 2.42820 2.44951 2.46516 2.48724 2.49411 2.50731 2.51944 2.53075 2.53499 2.53874 2.54261 2.54672 2.55433 2.56110 2.57068 2.57180 2.58833 2.58975 2.60014 2.60377 2.61510 2.63234 2.64320 2.64637 2.66064 2.68001 2.68813 2.70197 2.71060 2.71679 2.72383 2.73173 2.73688 2.74777 2.76307 2.77906 2.78918 2.79631 2.80588 2.81465 2.82586 2.83003 2.84357 2.84884 2.86254 2.87358 2.87946 2.88226 2.89512 2.91375 2.91982 2.92110 2.94419 2.94675 2.95558 2.97043 2.99678 3.01236 3.02850 3.03008 3.04724 3.05280 3.07485 3.10311 3.10349 3.10865 3.14570 3.17150 3.17819 3.19504 3.21353 3.23186 3.24986 3.25421 3.30013 3.34166 3.35930 3.38462 3.40305 3.41010 3.45244 3.49939 3.53434 3.53787 3.56228 3.58951 3.62080 3.65419 3.65633 3.69384 3.74107 3.76856 3.78856 3.79610 3.80397 3.81086 3.81805 3.82738 3.82975 3.84802 3.85797 3.86310 3.96175 3.97992 4.04070 4.04957 4.06169 4.11068 4.11788 4.16783 4.19678 4.24599 4.30289 4.33409 4.35267 4.35820 4.59481 4.78044 4.84105 4.89274 5.02801 5.11869 5.13557 5.18356 5.27299 5.29686 5.36965 5.63243 5.82744 5.88500 23.58403 23.80238 23.84817 23.85210 23.90168 23.91093 23.91712 23.93750 23.94371 23.97276 23.98547 23.99474 24.01440 24.05966 24.07634 24.16125 35.58620 35.73793 49.88969 50.01789 50.07178 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.319378 -0.057731 -0.188713 0.258000 -0.186445 0.368272 -0.053985 0.060206 -0.486411 -0.453670 -0.606762 -0.482486 0.462441 0.335916 -0.031741 0.043155 0.319713 -1.006589 -0.642506 -0.367638 -0.175809 0.163231 0.166125 0.155789 0.183652 0.149246 0.141217 0.141095 0.137500 0.137157 0.164301 0.308109 0.138918 0.137484 0.129709 0.178037 0.145058 0.148008 0.155132 0.167654 0.164739 -0.00000 2.08599237e+00 -2.13896867e-01 5.63382216e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.3021 -0.5437 1.4320 5.5189 -120.8364 -110.1289 -134.4000 -2.4377 -8.8156 2.7597 0.9520 11.6595 -12.6116 -2.4377 -8.8156 2.7597 94.5591 48.5805 -3.7513 35.8937 8.4361 46.6348 23.5082 4.3394 4.5352 4.4979 -5788.9240 -2051.3156 -935.5651 -52.0332 -106.3261 92.1788 48.0844 -26.2199 10.0992 -1267.5505 -1263.5009 -543.6838 -45.1130 18.0340 8.8626 (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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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) 0 1-A -957.2690271 5.331E-9 3.15E-6 0.4807807,7.7788022,-8.2595828,-0.319321,-6.5344779,4.9950532 C01 [X(C16H20N2O3)] 2.0680314 -0.4298673 0.5029671 -0.000001268 0.000001470 -0.000003845 0.000004563 -0.000006037 0.000000154 0.000002502 -0.000003517 0.000000416 -0.000005107 -0.000002438 0.000011498 0.000004995 0.000001321 -0.000001693 0.000007039 0.000008109 -0.000003124 0.000000101 -0.000003009 0.000002237 -0.000001645 -0.000008782 0.000004311 0.000000367 -0.000006519 0.000002499 -0.000000064 0.000004252 0.000001914 0.000001929 -0.000001378 -0.000004521 -0.000004736 0.000005856 -0.000009799 0.000004116 -0.000001206 0.000001943 0.000003095 -0.000001204 -0.000000201 -0.000003316 0.000001142 0.000000154 -0.000002395 0.000001588 -0.000000311 0.000004204 0.000000262 0.000001103 0.000001174 -0.000003152 0.000000104 -0.000008218 0.000012870 0.000000770 -0.000003512 0.000002074 0.000000467 -0.000005154 0.000003683 -0.000002563 -0.000000149 0.000000508 -0.000000374 -0.000001095 0.000000295 -0.000000839 -0.000000240 0.000000848 0.000000467 -0.000000034 0.000001475 -0.000002092 0.000000181 -0.000001611 0.000000309 -0.000001195 -0.000002606 0.000000280 0.000000737 -0.000001200 -0.000001742 -0.000000858 -0.000001633 0.000000724 -0.000001440 0.000001158 -0.000000038 0.000001125 -0.000000142 0.000001172 -0.000000666 -0.000002971 -0.000001301 0.000000272 -0.000000363 0.000000320 0.000000595 0.000001091 0.000000565 0.000000486 0.000000044 0.000000190 0.000000791 0.000000453 0.000001555 0.000001019 -0.000000460 -0.000000405 0.000001590 0.000001536 -0.000000177 0.000000127 -0.000000904 0.000000347 -0.000000956 -0.000000712 0.000000478 0.000001042 -0.000000192 -0.000000951 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3763,.0639,-2.1838;2.4667,2.2288,.8643;.8114,2.1111,-.658;-1.1647,.0629,.632;-1.2111,-.4932,-1.5564;-2.512,.399,.129;-3.6194,-.3813,.8879;-2.4963,-.0138,-1.3576;-2.6928,1.9258,.1855;-3.4288,-1.8996,.7526;-3.7005,.0174,2.3669;-.4957,-.3843,-.3585;.921,-.8119,-.2951;1.948,.1019,-.0119;1.2398,-2.1608,-.4512;3.2583,-.3551,.145;3.5824,-1.7058,-.0038;2.5536,-2.6002,-.313;1.6529,1.5671,.0186;4.9992,-2.1859,.1917;2.2706,3.6555,.9275;-4.5579,-.1091,.3908;-3.6722,2.1982,-.2145;-2.6048,2.2764,1.2137;-1.916,2.4161,-.4051;-2.4854,-2.2109,1.2102;-4.2397,-2.4299,1.2585;-3.4296,-2.2192,-.2929;-4.4616,-.5823,2.874;-3.9701,1.0671,2.4984;-2.7419,-.1548,2.8626;-.8217,-.7159,-2.4602;.4492,-2.8732,-.6591;4.0363,.3641,.371;2.779,-3.6542,-.4372;5.1769,-2.4425,1.2415;5.2043,-3.0781,-.4041;5.7233,-1.4165,-.085;2.9992,4.0163,1.65;1.2553,3.8819,1.2563;2.4388,4.1066,-.0519; Gaussian 16 GINC-BELVIS10 APULGAR Optimization imazamethabenz_methyl_m CONF56 gas EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3763,.0639,-2.1838;2.4667,2.2288,.8643;.8114,2.1111,-.658;-1.1647,.0629,.632;-1.2111,-.4932,-1.5564;-2.512,.399,.129;-3.6194,-.3813,.8879;-2.4963,-.0138,-1.3576;-2.6928,1.9258,.1855;-3.4288,-1.8996,.7526;-3.7005,.0174,2.3669;-.4957,-.3843,-.3585;.921,-.8119,-.2951;1.948,.1019,-.0119;1.2398,-2.1608,-.4512;3.2583,-.3551,.145;3.5824,-1.7058,-.0038;2.5536,-2.6002,-.313;1.6529,1.5671,.0186;4.9992,-2.1859,.1917;2.2706,3.6555,.9275;-4.5579,-.1091,.3908;-3.6722,2.1982,-.2145;-2.6048,2.2764,1.2137;-1.916,2.4161,-.4051;-2.4854,-2.2109,1.2102;-4.2397,-2.4299,1.2585;-3.4297,-2.2192,-.2929;-4.4616,-.5823,2.874;-3.9701,1.0671,2.4984;-2.7419,-.1548,2.8626;-.8217,-.7159,-2.4602;.4492,-2.8732,-.6591;4.0363,.3641,.371;2.779,-3.6542,-.4372;5.1769,-2.4425,1.2415;5.2043,-3.0781,-.4041;5.7233,-1.4165,-.085;2.9992,4.0163,1.65;1.2553,3.8819,1.2563;2.4388,4.1066,-.0519; Optimization imazamethabenz_methyl_m CONF56 gas 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 32 33 34 35 36 37 38 39 40 41 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazamethabenz_methyl_m/gas/CONF56/opt-b3lyp-pople.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 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 2 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 21 21 21 8 19 21 19 6 12 8 12 32 7 8 9 10 11 22 23 24 25 26 27 28 29 30 31 13 14 15 16 19 18 33 17 34 18 20 35 36 37 38 39 40 41 1.2096 1.3474 1.4414 1.2091 1.4769 1.2762 1.3861 1.3995 1.009 1.5528 1.5429 1.5384 1.5362 1.5339 1.0963 1.0925 1.0899 1.092 1.0937 1.093 1.0933 1.0936 1.0917 1.0929 1.4812 1.4036 1.3948 1.3966 1.4949 1.3922 1.0843 1.397 1.0833 1.3979 1.5087 1.085 1.0952 1.0923 1.0922 1.0877 1.091 1.0913 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 19 6 8 8 12 4 4 4 7 7 8 6 6 6 10 10 11 1 1 5 6 6 6 23 23 24 7 7 7 26 26 27 7 7 7 29 29 30 4 4 5 12 12 14 13 13 16 13 13 18 14 14 17 16 16 18 15 15 17 2 2 3 17 17 17 36 36 37 2 2 2 39 39 40 2 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 12 12 32 32 7 8 9 8 9 9 10 11 22 11 22 22 5 6 6 23 24 25 24 25 25 26 27 28 27 28 28 29 30 31 30 31 31 5 13 13 14 15 15 16 19 19 18 33 33 17 34 34 18 20 20 17 35 35 3 14 14 36 37 38 37 38 38 39 40 41 40 41 41 115.5573 107.0752 108.9235 124.2383 125.9194 111.7006 104.9511 108.6983 110.0992 113.3893 107.582 111.4185 112.2282 105.3125 110.3887 108.1603 109.1097 126.7855 129.3156 103.8942 109.8411 110.1465 110.0087 109.7273 109.1268 107.9587 110.5783 110.288 111.9022 107.9527 108.5148 107.467 109.962 112.2802 110.4848 107.4329 108.2766 108.2712 115.0656 124.7042 120.2036 121.3661 119.5445 119.0066 119.7473 119.8505 120.2423 120.6537 119.348 119.9825 121.4715 118.6857 119.8349 118.1289 120.7836 121.0764 120.9671 119.4217 119.608 123.4144 112.0166 124.5395 110.5576 111.445 111.4387 107.5244 107.4784 108.222 105.4449 110.1948 110.4178 110.7529 110.8381 109.1552 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 21 21 19 19 19 12 12 12 6 6 12 12 32 32 8 8 32 32 4 4 4 8 8 8 9 9 9 4 4 7 7 9 9 4 4 4 7 7 7 8 8 8 6 6 6 11 11 11 22 22 22 6 6 6 10 10 10 22 22 22 4 4 5 5 12 12 15 15 12 12 14 14 13 13 19 19 13 13 16 16 13 13 33 33 14 14 34 34 16 16 20 20 16 16 16 18 18 18 2 2 2 2 2 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 19 19 21 21 21 6 6 6 12 12 8 8 8 8 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 18 18 18 18 17 17 17 17 18 18 18 18 20 20 20 20 20 20 3 14 39 40 41 7 8 9 5 13 1 6 1 6 4 13 4 13 10 11 22 10 11 22 10 11 22 1 5 1 5 1 5 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 14 15 14 15 16 19 16 19 18 33 18 33 17 34 17 34 2 3 2 3 17 35 17 35 18 20 18 20 15 35 15 35 36 37 38 36 37 38 0.3686 178.4714 179.8258 60.2668 -60.3958 121.8373 2.5566 -112.3066 -3.233 178.6486 178.6011 -0.6733 9.0265 -170.2479 2.5945 -179.1954 171.9494 -9.8405 -59.1782 65.1952 -176.2127 57.0091 -178.6175 -60.0254 177.5883 -58.0383 60.5538 179.6928 -1.0584 59.345 -121.4062 -64.6686 114.5803 178.1008 -60.9278 57.9613 -57.0309 63.9404 -177.1705 64.9619 -174.0667 -55.1777 62.9755 -177.6966 -58.1238 -62.4269 56.901 176.4738 178.2666 -62.4055 57.1673 -177.6536 62.7903 -58.1903 -52.7112 -172.2674 66.7521 66.0181 -53.538 -174.5186 -64.9251 111.7324 117.0471 -66.2954 174.9081 -9.6755 -1.767 173.6494 -175.971 2.5815 0.7657 179.3182 1.495 -179.5272 -173.9033 5.0746 150.7808 -31.1417 -33.8257 144.2518 0.5558 179.912 -177.9876 1.3687 -0.1802 -178.9769 -179.1465 2.0569 -0.8477 179.7973 177.9453 -1.4098 88.7383 -151.7353 -30.7261 -90.0226 29.5038 150.513 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00008 0.00039 0.00184 0.00268 0.00298 0.00306 0.00358 0.00555 0.00677 0.00815 0.01586 0.01666 0.01920 0.01938 0.02035 0.02145 0.02210 0.02265 0.02483 0.02533 0.02682 0.02882 0.03541 0.03713 0.04253 0.04366 0.04483 0.04585 0.04599 0.04624 0.04634 0.04792 0.04860 0.05628 0.05882 0.06462 0.06839 0.08303 0.08409 0.08417 0.09420 0.11388 0.11648 0.11926 0.12083 0.12178 0.12212 0.12367 0.12683 0.12725 0.13943 0.14193 0.14523 0.14567 0.14731 0.14900 0.15248 0.15512 0.15773 0.17407 0.18165 0.18362 0.18591 0.18626 0.18672 0.18971 0.19227 0.19625 0.19746 0.20457 0.20578 0.21720 0.23368 0.24011 0.24544 0.25588 0.26399 0.26790 0.28714 0.29157 0.30852 0.31042 0.32628 0.32707 0.33007 0.33061 0.33129 0.33191 0.33310 0.33464 0.33509 0.33557 0.33642 0.33680 0.33939 0.34033 0.34148 0.34299 0.34325 0.34559 0.34753 0.35130 0.35572 0.35673 0.36366 0.37337 0.39182 0.42021 0.44039 0.45487 0.46171 0.47046 0.48129 0.50490 0.62655 0.83623 0.84806 Angle between quadratic step and forces= 78.71 degrees. 1 2 0.00024982 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 R34 R35 R36 R37 R38 R39 R40 R41 R42 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 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 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 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 2.28578 2.54624 2.72392 2.28481 2.79088 2.41164 2.61932 2.64463 1.90668 2.93439 2.91574 2.90719 2.90295 2.89867 2.07178 2.06448 2.05963 2.06365 2.06677 2.06556 2.06612 2.06666 2.06311 2.06524 2.79901 2.65247 2.63575 2.63911 2.82502 2.63090 2.04912 2.63990 2.04717 2.64160 2.85094 2.05033 2.06963 2.06406 2.06394 2.05546 2.06164 2.06225 2.01685 1.86881 1.90107 2.16837 2.19771 1.94954 1.83174 1.89714 1.92159 1.97902 1.87766 1.94462 1.95875 1.83805 1.92665 1.88775 1.90432 2.21283 2.25698 1.81330 1.91709 1.92242 1.92001 1.91510 1.90462 1.88423 1.92995 1.92489 1.95306 1.88413 1.89394 1.87565 1.91920 1.95966 1.92832 1.87506 1.88978 1.88969 2.00827 2.17650 2.09795 2.11824 2.08644 2.07706 2.08999 2.09179 2.09862 2.10580 2.08302 2.09409 2.12008 2.07146 2.09151 2.06174 2.10807 2.11318 2.11128 2.08430 2.08755 2.15399 1.95506 2.17362 1.92959 1.94508 1.94497 1.87665 1.87585 1.88883 1.84036 1.92326 1.92715 1.93300 1.93449 1.90512 0.00643 3.11491 3.13855 1.05185 -1.05411 2.12646 0.04462 -1.96012 -0.05643 3.11801 3.11718 -0.01175 0.15754 -2.97139 0.04528 -3.12755 3.00108 -0.17175 -1.03286 1.13787 -3.07549 0.99500 -3.11746 -1.04764 3.09950 -1.01296 1.05686 3.13623 -0.01847 1.03576 -2.11894 -1.12868 1.99980 3.10845 -1.06339 1.01162 -0.99538 1.11597 -3.09221 1.13380 -3.03804 -0.96303 1.09913 -3.10139 -1.01445 -1.08956 0.99311 3.08005 3.11134 -1.08918 0.99776 -3.10064 1.09590 -1.01561 -0.91998 -3.00663 1.16504 1.15223 -0.93441 -3.04592 -1.13316 1.95010 2.04286 -1.15707 3.05272 -0.16887 -0.03084 3.03075 -3.07127 0.04506 0.01336 3.12969 0.02609 -3.13334 -3.03518 0.08857 2.63162 -0.54353 -0.59037 2.51767 0.00970 3.14006 -3.10647 0.02389 -0.00315 -3.12374 -3.12670 0.03590 -0.01479 3.13805 3.10573 -0.02461 1.54878 -2.64828 -0.53627 -1.57119 0.51494 2.62695 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00002 -0.00002 -0.00000 0.00002 0.00003 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00002 0.00002 -0.00018 -0.00017 -0.00020 0.00007 0.00008 0.00006 -0.00003 0.00002 0.00004 0.00008 -0.00025 -0.00020 -0.00004 -0.00009 0.00025 0.00020 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00002 -0.00001 -0.00002 -0.00005 -0.00010 -0.00004 -0.00009 -0.00003 -0.00008 0.00009 0.00009 0.00010 0.00007 0.00007 0.00009 0.00007 0.00007 0.00008 0.00011 0.00011 0.00011 0.00010 0.00011 0.00011 0.00010 0.00011 0.00010 0.00011 0.00012 0.00011 0.00012 0.00013 0.00012 0.00012 0.00013 0.00012 -0.00033 -0.00032 -0.00027 -0.00027 0.00002 0.00008 0.00002 0.00007 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00006 -0.00005 0.00016 0.00016 0.00021 0.00021 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00001 0.00000 0.00001 -0.00000 -0.00016 -0.00016 -0.00016 -0.00016 -0.00016 -0.00016 0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00002 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00002 -0.00002 -0.00000 0.00002 0.00003 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00001 -0.00001 -0.00001 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00002 0.00002 -0.00018 -0.00017 -0.00020 0.00007 0.00008 0.00006 -0.00003 0.00002 0.00004 0.00008 -0.00025 -0.00020 -0.00004 -0.00009 0.00025 0.00020 -0.00003 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00002 -0.00001 -0.00002 -0.00005 -0.00010 -0.00004 -0.00009 -0.00003 -0.00008 0.00009 0.00009 0.00010 0.00007 0.00007 0.00009 0.00007 0.00007 0.00008 0.00011 0.00011 0.00011 0.00010 0.00011 0.00011 0.00010 0.00011 0.00010 0.00011 0.00012 0.00011 0.00012 0.00013 0.00012 0.00012 0.00013 0.00012 -0.00033 -0.00032 -0.00027 -0.00027 0.00002 0.00008 0.00002 0.00007 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00006 -0.00005 0.00016 0.00016 0.00021 0.00021 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00001 0.00000 0.00001 -0.00000 -0.00016 -0.00016 -0.00016 -0.00016 -0.00016 -0.00016 2.28578 2.54624 2.72394 2.28480 2.79088 2.41165 2.61932 2.64461 1.90668 2.93440 2.91575 2.90717 2.90294 2.89867 2.07178 2.06448 2.05963 2.06365 2.06677 2.06557 2.06613 2.06666 2.06311 2.06524 2.79903 2.65247 2.63574 2.63911 2.82504 2.63091 2.04912 2.63990 2.04717 2.64161 2.85094 2.05033 2.06964 2.06406 2.06395 2.05546 2.06163 2.06225 2.01684 1.86880 1.90107 2.16839 2.19774 1.94953 1.83175 1.89715 1.92159 1.97900 1.87768 1.94463 1.95875 1.83804 1.92665 1.88775 1.90432 2.21282 2.25699 1.81329 1.91709 1.92242 1.92003 1.91510 1.90460 1.88424 1.92997 1.92490 1.95306 1.88412 1.89393 1.87564 1.91920 1.95966 1.92833 1.87505 1.88978 1.88969 2.00829 2.17648 2.09795 2.11825 2.08643 2.07707 2.08998 2.09178 2.09864 2.10580 2.08302 2.09409 2.12008 2.07146 2.09151 2.06174 2.10807 2.11318 2.11127 2.08430 2.08756 2.15400 1.95504 2.17363 1.92960 1.94508 1.94498 1.87665 1.87585 1.88882 1.84034 1.92326 1.92714 1.93301 1.93449 1.90514 0.00645 3.11493 3.13838 1.05168 -1.05430 2.12654 0.04470 -1.96006 -0.05646 3.11802 3.11722 -0.01167 0.15730 -2.97159 0.04525 -3.12764 3.00134 -0.17155 -1.03288 1.13785 -3.07552 0.99497 -3.11748 -1.04767 3.09948 -1.01297 1.05684 3.13618 -0.01857 1.03572 -2.11903 -1.12871 1.99972 3.10854 -1.06330 1.01172 -0.99530 1.11604 -3.09212 1.13387 -3.03797 -0.96295 1.09924 -3.10128 -1.01434 -1.08945 0.99322 3.08015 3.11144 -1.08907 0.99786 -3.10053 1.09601 -1.01551 -0.91987 -3.00651 1.16516 1.15236 -0.93429 -3.04580 -1.13348 1.94978 2.04258 -1.15734 3.05275 -0.16879 -0.03082 3.03082 -3.07130 0.04504 0.01335 3.12969 0.02609 -3.13333 -3.03524 0.08852 2.63178 -0.54337 -0.59016 2.51788 0.00970 3.14006 -3.10647 0.02389 -0.00315 -3.12374 -3.12672 0.03588 -0.01479 3.13806 3.10574 -0.02461 1.54861 -2.64844 -0.53644 -1.57135 0.51478 2.62679 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000006 0.000001 0.000877 0.000250 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.339592e-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 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 2 3 4 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 11 11 11 12 13 13 14 14 15 15 16 16 17 17 18 20 20 20 21 21 21 8 19 21 19 6 12 8 12 32 7 8 9 10 11 22 23 24 25 26 27 28 29 30 31 13 14 15 16 19 18 33 17 34 18 20 35 36 37 38 39 40 41 1.2096 1.3474 1.4414 1.2091 1.4769 1.2762 1.3861 1.3995 1.009 1.5528 1.5429 1.5384 1.5362 1.5339 1.0963 1.0925 1.0899 1.092 1.0937 1.093 1.0933 1.0936 1.0917 1.0929 1.4812 1.4036 1.3948 1.3966 1.4949 1.3922 1.0843 1.397 1.0833 1.3979 1.5087 1.085 1.0952 1.0923 1.0922 1.0877 1.091 1.0913 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 19 6 8 8 12 4 4 4 7 7 8 6 6 6 10 10 11 1 1 5 6 6 6 23 23 24 7 7 7 26 26 27 7 7 7 29 29 30 4 4 5 12 12 14 13 13 16 13 13 18 14 14 17 16 16 18 15 15 17 2 2 3 17 17 17 36 36 37 2 2 2 39 39 40 2 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 21 12 12 32 32 7 8 9 8 9 9 10 11 22 11 22 22 5 6 6 23 24 25 24 25 25 26 27 28 27 28 28 29 30 31 30 31 31 5 13 13 14 15 15 16 19 19 18 33 33 17 34 34 18 20 20 17 35 35 3 14 14 36 37 38 37 38 38 39 40 41 40 41 41 115.5573 107.0752 108.9235 124.2383 125.9194 111.7006 104.9511 108.6983 110.0992 113.3893 107.582 111.4185 112.2282 105.3125 110.3887 108.1603 109.1097 126.7855 129.3156 103.8942 109.8411 110.1465 110.0087 109.7273 109.1268 107.9587 110.5783 110.288 111.9022 107.9527 108.5148 107.467 109.962 112.2802 110.4848 107.4329 108.2766 108.2712 115.0656 124.7042 120.2036 121.3661 119.5445 119.0066 119.7473 119.8505 120.2423 120.6537 119.348 119.9825 121.4715 118.6857 119.8349 118.1289 120.7836 121.0764 120.9671 119.4217 119.608 123.4144 112.0166 124.5395 110.5576 111.445 111.4387 107.5244 107.4784 108.222 105.4449 110.1948 110.4178 110.7529 110.8381 109.1552 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 21 21 19 19 19 12 12 12 6 6 12 12 32 32 8 8 32 32 4 4 4 8 8 8 9 9 9 4 4 7 7 9 9 4 4 4 7 7 7 8 8 8 6 6 6 11 11 11 22 22 22 6 6 6 10 10 10 22 22 22 4 4 5 5 12 12 15 15 12 12 14 14 13 13 19 19 13 13 16 16 13 13 33 33 14 14 34 34 16 16 20 20 16 16 16 18 18 2 2 2 2 2 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 19 19 21 21 21 6 6 6 12 12 8 8 8 8 12 12 12 12 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 19 19 19 19 18 18 18 18 17 17 17 17 18 18 18 18 20 20 20 20 20 3 14 39 40 41 7 8 9 5 13 1 6 1 6 4 13 4 13 10 11 22 10 11 22 10 11 22 1 5 1 5 1 5 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 29 30 31 29 30 31 29 30 31 14 15 14 15 16 19 16 19 18 33 18 33 17 34 17 34 2 3 2 3 17 35 17 35 18 20 18 20 15 35 15 35 36 37 38 36 37 0.3686 178.4714 179.8258 60.2668 -60.3958 121.8373 2.5566 -112.3066 -3.233 178.6486 178.6011 -0.6733 9.0265 -170.2479 2.5945 -179.1954 171.9494 -9.8405 -59.1782 65.1952 -176.2127 57.0091 -178.6175 -60.0254 177.5883 -58.0383 60.5538 179.6928 -1.0584 59.345 -121.4062 -64.6686 114.5803 178.1008 -60.9278 57.9613 -57.0309 63.9404 -177.1705 64.9619 -174.0667 -55.1777 62.9755 -177.6966 -58.1238 -62.4269 56.901 176.4738 178.2666 -62.4055 57.1673 -177.6536 62.7903 -58.1903 -52.7112 -172.2674 66.7521 66.0181 -53.538 -174.5186 -64.9251 111.7324 117.0471 -66.2954 174.9081 -9.6755 -1.767 173.6494 -175.971 2.5815 0.7657 179.3182 1.495 -179.5272 -173.9033 5.0746 150.7808 -31.1417 -33.8257 144.2518 0.5558 179.912 -177.9876 1.3687 -0.1802 -178.9769 -179.1465 2.0569 -0.8477 179.7973 177.9453 -1.4098 88.7383 -151.7353 -30.7261 -90.0226 29.5038 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 603 A 582 A 582 916 603 77 77 1721.7041647809 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0441967036 0.000000 6.936769 0.000000 4.904616 2.252031 0.000000 3.580537 4.234660 3.124749 0.000000 2.322124 5.176396 3.417484 2.258421 0.000000 2.491733 5.355002 3.820346 1.476872 2.308466 0.000000 3.113357 6.622238 5.313518 2.507651 3.433231 1.552815 0.000000 1.209581 5.881987 3.993120 2.395335 1.386083 1.542945 2.537440 0.000000 3.089888 5.212761 3.608994 2.450438 3.328781 1.538418 2.583529 2.486253 0.000000 3.532860 7.198154 6.004530 2.998683 3.496847 2.552107 1.536174 2.979750 3.936600 0.000000 4.562482 6.721828 5.821572 3.072823 4.674402 2.562468 1.533913 3.914413 3.068511 2.520827 0.000000 3.439559 4.135137 2.832796 1.276183 1.399476 2.217346 3.363182 2.266700 3.234074 3.483382 4.226105 0.000000 4.775031 3.602750 2.947478 2.444360 2.497602 3.664896 4.711666 3.666581 4.559063 4.604477 5.397428 1.481173 0.000000 5.750416 2.358088 2.397138 3.178870 3.566439 4.472114 5.660326 4.645060 4.990237 5.787983 6.129594 2.515612 1.403625 0.000000 5.409240 4.743883 4.298241 3.449621 3.163733 4.578801 5.345256 4.403407 5.707058 4.828410 6.090433 2.485290 1.394777 2.411270 0.000000 7.043981 2.796531 3.565735 4.469360 4.784302 5.819412 6.917788 5.957397 6.373351 6.890036 7.314462 3.787776 2.421938 1.396556 2.773167 0.000000 7.503897 4.180839 4.761830 5.105662 5.182539 6.449017 7.376701 6.453452 7.252730 7.054591 7.850555 4.301564 2.822632 2.437005 2.427977 1.396974 0.000000 6.764724 4.971209 5.034905 4.670231 4.489816 5.903486 6.668717 5.769118 6.946753 6.116850 7.290283 3.769721 2.421513 2.785432 1.392212 2.397272 1.397877 0.000000 5.692330 1.347413 1.209068 3.252329 3.863582 4.326949 5.687602 4.648519 4.363613 6.195175 6.047731 2.926824 2.508752 1.494937 3.779979 2.507638 3.799379 4.276379 0.000000 8.991908 5.133810 6.060061 6.576089 6.670008 7.943806 8.832989 7.956244 8.721966 8.451508 9.234268 5.808863 4.330934 3.819076 3.814053 2.526825 1.508654 2.531255 5.031218 0.000000 7.380186 1.441439 2.651140 4.979485 5.958429 5.840806 7.140688 6.434947 5.308263 7.960701 7.138768 5.062178 4.824310 3.689760 6.065638 4.203838 5.597399 6.383729 2.359886 6.489103 0.000000 2.838075 7.418535 5.904034 3.406065 3.891001 2.124228 1.096337 2.704763 2.767915 2.147467 2.157761 4.139833 5.566137 6.521746 6.207371 7.823928 8.304786 7.567960 6.443702 9.782149 7.815888 0.000000 2.919067 6.233044 4.506271 3.400544 3.886025 2.168206 2.805733 2.753559 1.092473 4.217438 3.379390 4.096333 5.492224 6.001867 6.571505 7.394645 8.241059 7.860983 5.367389 9.725171 6.224521 2.544509 0.000000 4.127176 5.083769 3.898853 2.704059 4.157698 2.170168 2.863395 3.445024 1.089907 4.281433 2.762874 3.741571 4.923975 5.192203 6.102612 6.514861 7.458027 7.260963 4.478773 8.875710 5.074799 3.190965 1.784717 0.000000 3.290758 4.566716 2.756036 2.679119 3.207228 2.170010 3.521196 2.673623 1.092035 4.717428 4.076995 3.140310 4.298944 4.521190 5.559623 5.895444 6.883608 6.719336 3.692885 8.328001 4.565065 3.740225 1.779845 1.764767 0.000000 4.181839 6.659924 5.747910 2.692353 3.496923 2.825134 2.176476 3.379480 4.266718 1.093689 2.789222 3.123530 3.978265 5.147633 4.079269 6.129414 6.208718 5.278633 5.728769 7.553676 7.557399 3.063303 4.783135 4.488898 4.933805 0.000000 4.337558 8.175327 7.057432 4.007813 4.565887 3.501998 2.172330 3.964988 4.745161 1.093049 2.740229 4.562593 5.627115 6.805328 5.746407 7.859141 7.956402 6.974845 7.227484 9.303537 8.917767 2.498076 4.889958 4.982447 5.625940 1.768577 0.000000 2.964956 7.476045 6.072115 3.345676 3.081806 2.806318 2.192776 2.620776 4.237054 1.093343 3.485756 3.461121 4.572553 5.863949 4.672525 6.956726 7.036809 5.995431 6.345475 8.442854 8.276125 2.488544 4.424766 4.812579 4.877465 1.775103 1.762832 0.000000 5.213203 7.742237 6.894448 4.038827 5.495648 3.506984 2.166637 4.700204 4.080100 2.702258 1.093627 5.120202 6.250412 7.062532 6.786355 8.191205 8.616837 7.965041 7.082357 9.963557 8.189622 2.529776 4.230082 3.791628 5.120814 3.053803 2.464349 3.711343 0.000000 4.825159 6.741847 5.823687 3.515992 5.146646 2.861174 2.194230 4.267178 2.778167 3.484577 1.091750 4.726513 5.937782 6.500589 6.801707 7.733803 8.425627 7.994537 6.165833 9.815918 6.936426 2.484136 2.954293 2.230864 3.803813 3.822213 3.720177 4.345539 1.761629 0.000000 5.090842 6.066679 5.491339 2.740506 4.688832 2.798561 2.172693 4.229654 3.390880 2.822750 1.092876 3.933628 4.880511 5.506718 5.555113 6.590004 7.114694 6.641298 5.510675 8.437047 6.586990 3.067503 3.983821 2.940843 4.239036 2.650207 3.161140 3.833015 1.772015 1.770433 0.000000 2.685201 5.526082 3.729135 3.207146 1.008971 3.286943 4.375891 2.124374 4.180765 4.303477 5.667937 2.152506 2.780952 3.786093 3.220787 4.854308 5.139097 4.421961 4.180899 6.563301 6.336233 4.738635 4.654049 5.062681 3.902622 4.298167 5.333742 3.709153 6.459082 6.138301 5.686251 0.000000 5.058246 5.693984 4.997366 3.590565 3.037443 4.482984 5.015579 4.164161 5.797852 4.240247 5.893412 2.679158 2.145630 3.393577 1.084348 3.857290 3.407266 2.150095 4.650154 4.679616 6.961168 5.814889 6.549995 6.273166 5.799595 3.541886 5.085244 3.950600 6.468892 6.710157 5.474918 3.084287 0.000000 7.846289 2.486797 3.809338 5.216281 5.655518 6.552867 7.709278 6.768036 6.910417 7.810139 7.997683 4.650970 3.395923 2.139240 3.856366 1.083315 2.151955 3.384283 2.692985 2.731684 3.776281 8.607226 7.945303 6.962169 6.343776 7.061769 8.779968 7.928130 8.909264 8.314047 7.240296 5.725616 4.940509 0.000000 7.400161 6.033380 6.095779 5.523834 5.212011 6.689070 7.308001 6.475227 7.839886 6.559786 7.957885 4.628417 3.398661 3.870365 2.144644 3.384251 2.151726 1.084987 5.360767 2.735136 7.453340 8.190383 8.713085 8.178206 7.674165 5.701861 7.323699 6.373930 8.533833 8.744107 7.322197 5.068603 2.467191 4.287338 0.000000 9.548432 5.413733 6.587948 6.845758 7.241161 8.272296 9.041479 8.457693 9.062481 8.636661 9.280440 6.242986 4.809674 4.297736 4.294807 3.039809 2.153114 3.053371 5.476412 1.095202 6.762397 10.046594 10.097651 9.100765 8.753684 7.665919 9.416675 8.745133 9.951142 9.877522 8.400521 7.257220 5.113616 3.152114 3.168082 0.000000 9.309484 6.104633 6.803644 7.176603 7.011893 8.480317 9.316633 8.342599 9.367495 8.789624 9.826335 6.304674 4.847097 4.568308 4.069498 3.391620 2.161937 2.694960 5.862501 1.092253 7.464599 10.234579 10.327991 9.605747 8.993629 7.905086 9.611165 8.677290 10.507336 10.477487 9.075190 6.791197 4.766349 3.716683 2.493061 1.764338 0.000000 9.455101 4.979441 6.074447 7.081453 7.148610 8.435723 9.450060 8.434983 9.059455 9.203016 9.842570 6.309991 4.844772 4.069811 4.559533 2.693592 2.161812 3.391125 5.047842 1.092191 6.218585 10.374841 10.067651 9.202249 8.552798 8.348157 10.104146 9.190408 10.638730 10.334627 9.052042 6.997805 5.501571 2.494868 3.714886 1.763768 1.769737 0.000000 8.424178 2.023836 3.707257 5.831283 6.952888 6.765436 7.982844 7.449025 6.238098 8.781945 7.835288 5.967697 5.604853 4.380567 6.757715 4.630434 5.984734 6.915898 3.236177 6.677880 1.087700 8.701376 7.161669 5.884112 5.562708 8.309808 9.701023 9.164433 8.849209 7.615051 7.199251 7.340780 7.700597 4.006215 7.952467 6.828238 7.707907 6.320283 0.000000 6.918325 2.086554 2.645306 4.564084 5.756325 5.252941 6.486400 6.006937 4.534362 7.457897 6.381851 4.886060 4.954852 4.046778 6.279291 4.816512 6.182640 6.794514 2.654862 7.208909 1.090971 7.104231 5.410947 4.180909 3.868615 7.149643 8.368682 7.846803 7.431599 6.063890 5.903647 6.266264 7.067478 4.570814 7.872882 7.441541 8.172665 7.059360 1.792835 0.000000 7.396236 2.089551 2.645439 5.459369 6.061623 6.187826 7.597806 6.560346 5.580835 8.435096 7.762961 5.373394 5.153170 4.034874 6.393523 4.540594 5.924000 6.712850 2.659294 6.797865 1.091295 8.180569 6.404129 5.512676 4.684804 8.108765 9.436458 8.632092 8.840927 7.537682 7.313949 6.299845 7.283175 4.091079 7.777823 7.215291 7.706597 6.425994 1.794023 1.778331 0.000000 C16H20N2O3 C1 1 C1 1 C1 1 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3382,-.4935,-2.2153;2.3151,2.4736,.4968;.6883,2.0271,-.9952;-1.1633,.0597,.5747;-1.1483,-.8085,-1.5101;-2.524,.2291,.0261;-3.5862,-.5056,.8882;-2.4645,-.3922,-1.385;-2.8053,1.7324,-.1395;-3.2948,-2.0113,.9746;-3.7101,.0963,2.2936;-.4552,-.4803,-.3395;.9857,-.7989,-.2124;1.9472,.2126,-.0629;1.3942,-2.1319,-.1709;3.2829,-.1285,.1608;3.6967,-1.4619,.2098;2.7324,-2.4582,.0317;1.5561,1.6439,-.2455;5.1396,-1.8133,.4751;2.025,3.8781,.3523;-4.5349,-.3712,.3553;-3.796,1.8784,-.5764;-2.7522,2.233,.8272;-2.0559,2.183,-.7936;-2.3382,-2.1897,1.474;-4.0748,-2.5159,1.5506;-3.2628,-2.478,-.0136;-4.4358,-.4732,2.8811;-4.0496,1.1337,2.2712;-2.7479,.0618,2.8107;-.735,-1.1331,-2.3714;.6545,-2.9179,-.2747;4.0093,.666,.2814;3.0279,-3.5017,.0618;5.3219,-1.9031,1.5513;5.4096,-2.7665,.0152;5.8147,-1.0454,.091;2.7201,4.3873,1.0161;.9933,4.0815,.6431;2.1742,4.1933,-.6818; 0.4627698 0.2099322 0.1728146 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. One-electron integral symmetry used in STVInt NBasis= 582 RedAO= T EigKep= 1.52D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 5.17D-07 NBFU= 579 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= 600 600 600 600 600 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.269027147140 -957.269027147 1 9.532655043228e+02 -5.674671449822e+03 2.042476950275e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245984324 LenY= 4245620112 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. Using compressed storage, NAtomX= 41. Will process 42 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 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. 12681 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. 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= 790000000 NMat= 123 IRICut= 307 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 123 NMatS0= 123 NMatT0= 0 NMatD0= 123 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 77.57% of shell-pairs survive, threshold= 0.20 IRatSp=78. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 3.87D-14 1.00D-09 XBig12= 2.32D+02 5.51D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 3.87D-14 1.00D-09 XBig12= 5.63D+01 1.40D+00. 123 vectors produced by pass 2 Test12= 3.87D-14 1.00D-09 XBig12= 6.71D-01 9.86D-02. 123 vectors produced by pass 3 Test12= 3.87D-14 1.00D-09 XBig12= 3.10D-03 4.41D-03. 123 vectors produced by pass 4 Test12= 3.87D-14 1.00D-09 XBig12= 6.96D-06 2.19D-04. 106 vectors produced by pass 5 Test12= 3.87D-14 1.00D-09 XBig12= 1.04D-08 5.92D-06. 36 vectors produced by pass 6 Test12= 3.87D-14 1.00D-09 XBig12= 1.19D-11 4.25D-07. 3 vectors produced by pass 7 Test12= 3.87D-14 1.00D-09 XBig12= 1.43D-14 1.94D-08. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 760 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 212.84 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 259.224 -15.536 217.114 9.543 4.450 162.169 351.612 -18.155 321.752 27.861 11.549 261.296 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT88861.400S Wed Jun 1 20:02:25 2022 -19.18131 -19.12238 -19.10434 -14.35956 -14.29699 -10.31574 -10.27780 -10.25917 -10.23430 -10.21356 -10.21304 -10.21228 -10.20869 -10.20196 -10.19866 -10.19845 -10.18594 -10.17694 -10.15867 -10.15307 -10.15074 -1.12218 -1.05844 -1.03431 -0.99813 -0.89258 -0.88415 -0.82004 -0.79972 -0.79073 -0.74843 -0.73748 -0.71878 -0.68444 -0.66658 -0.65191 -0.62757 -0.61129 -0.60679 -0.57469 -0.55806 -0.54482 -0.52060 -0.50819 -0.49731 -0.49449 -0.48396 -0.47428 -0.46323 -0.45211 -0.44523 -0.44281 -0.43586 -0.43485 -0.42741 -0.41794 -0.40987 -0.40382 -0.39230 -0.38419 -0.38205 -0.37944 -0.37823 -0.37393 -0.37303 -0.36717 -0.34928 -0.33724 -0.33412 -0.32835 -0.32127 -0.30285 -0.29696 -0.28094 -0.27174 -0.25378 -0.24739 -0.06516 -0.04384 -0.01348 -0.00649 0.00318 0.00648 0.01602 0.01752 0.01886 0.02278 0.02942 0.03142 0.03728 0.03881 0.04112 0.04674 0.04828 0.05084 0.05966 0.06099 0.06517 0.06779 0.07625 0.07808 0.08080 0.08850 0.08990 0.09259 0.09293 0.10018 0.10228 0.10714 0.10843 0.11050 0.11689 0.12217 0.12243 0.12911 0.13118 0.13675 0.13880 0.14039 0.14147 0.14483 0.15014 0.15359 0.15805 0.16280 0.16414 0.16802 0.17121 0.17482 0.17724 0.18369 0.18464 0.18546 0.18712 0.19294 0.19509 0.19713 0.20175 0.20481 0.20944 0.21061 0.21425 0.21669 0.22109 0.22339 0.22463 0.22652 0.22797 0.23637 0.23888 0.24358 0.24512 0.24840 0.25166 0.25329 0.25503 0.25713 0.25982 0.26354 0.26635 0.27090 0.27280 0.27601 0.27904 0.28311 0.28979 0.29150 0.29407 0.29712 0.30206 0.30302 0.30567 0.31224 0.31471 0.31694 0.32469 0.32896 0.33329 0.33552 0.34217 0.34638 0.34864 0.35470 0.35909 0.36461 0.36886 0.37352 0.37777 0.38302 0.39048 0.39424 0.39681 0.39892 0.40758 0.40868 0.41413 0.42246 0.42672 0.43335 0.44560 0.44758 0.45437 0.45600 0.46406 0.47213 0.48874 0.49188 0.49711 0.50219 0.51609 0.52619 0.53157 0.53613 0.53894 0.54280 0.54363 0.55336 0.56098 0.56185 0.56855 0.58119 0.58517 0.59452 0.59688 0.60216 0.61025 0.61294 0.62191 0.63264 0.63779 0.63947 0.64066 0.64641 0.65949 0.66482 0.67009 0.67191 0.67606 0.68099 0.68545 0.68656 0.69168 0.69493 0.69763 0.70214 0.70494 0.70812 0.71346 0.71918 0.72296 0.72912 0.73388 0.74606 0.74936 0.75675 0.76376 0.77216 0.77343 0.77967 0.78633 0.78905 0.80129 0.80749 0.81368 0.82456 0.83645 0.84440 0.85258 0.85836 0.86667 0.88132 0.89490 0.90446 0.91195 0.92830 0.93253 0.93879 0.94289 0.94992 0.95951 0.96656 0.97815 0.99065 0.99435 1.00135 1.01378 1.02260 1.02545 1.04882 1.05367 1.05645 1.06722 1.08205 1.09216 1.09532 1.11243 1.12058 1.13766 1.14786 1.15468 1.18291 1.18848 1.19027 1.20172 1.20614 1.21460 1.23426 1.24410 1.25654 1.25869 1.27847 1.29753 1.30274 1.31104 1.31684 1.33657 1.34280 1.34945 1.35341 1.35583 1.37970 1.38970 1.40275 1.40902 1.42781 1.43954 1.45109 1.46662 1.47120 1.48098 1.48656 1.48982 1.49774 1.50208 1.51027 1.51825 1.52513 1.54121 1.54546 1.54830 1.55271 1.55996 1.56311 1.56815 1.58199 1.58354 1.59161 1.59406 1.60038 1.61049 1.61378 1.62196 1.62625 1.63915 1.65421 1.65580 1.66447 1.66552 1.67786 1.68646 1.69273 1.70091 1.70500 1.70674 1.71423 1.72353 1.72994 1.75075 1.75792 1.76386 1.77612 1.78484 1.79043 1.79382 1.80330 1.81063 1.82173 1.83493 1.83966 1.84989 1.86396 1.86764 1.88655 1.90381 1.91159 1.91318 1.93064 1.93910 1.94706 1.95387 1.97400 1.97838 1.98511 2.00376 2.01141 2.01204 2.02721 2.04999 2.05685 2.06234 2.07206 2.08418 2.09568 2.11043 2.11385 2.12418 2.13135 2.16199 2.16354 2.18853 2.19216 2.21117 2.22226 2.23459 2.25053 2.28644 2.29280 2.30469 2.31343 2.32439 2.33412 2.35407 2.36465 2.39296 2.40069 2.41626 2.42069 2.42545 2.42820 2.44951 2.46516 2.48724 2.49411 2.50731 2.51944 2.53075 2.53499 2.53874 2.54261 2.54672 2.55433 2.56110 2.57068 2.57180 2.58833 2.58975 2.60014 2.60377 2.61510 2.63234 2.64320 2.64637 2.66064 2.68001 2.68813 2.70197 2.71060 2.71679 2.72383 2.73173 2.73688 2.74777 2.76307 2.77906 2.78918 2.79631 2.80588 2.81465 2.82586 2.83003 2.84357 2.84884 2.86254 2.87358 2.87946 2.88226 2.89512 2.91375 2.91982 2.92110 2.94419 2.94675 2.95558 2.97043 2.99678 3.01236 3.02850 3.03008 3.04724 3.05280 3.07485 3.10311 3.10349 3.10865 3.14570 3.17150 3.17819 3.19504 3.21353 3.23186 3.24986 3.25421 3.30013 3.34166 3.35930 3.38462 3.40305 3.41010 3.45244 3.49939 3.53434 3.53787 3.56228 3.58951 3.62080 3.65419 3.65633 3.69384 3.74107 3.76856 3.78856 3.79610 3.80397 3.81086 3.81805 3.82738 3.82975 3.84802 3.85797 3.86310 3.96175 3.97992 4.04070 4.04957 4.06169 4.11068 4.11788 4.16783 4.19678 4.24599 4.30289 4.33409 4.35267 4.35820 4.59481 4.78044 4.84105 4.89274 5.02801 5.11869 5.13557 5.18356 5.27299 5.29686 5.36965 5.63243 5.82744 5.88500 23.58403 23.80238 23.84817 23.85210 23.90168 23.91093 23.91712 23.93750 23.94371 23.97276 23.98547 23.99474 24.01440 24.05966 24.07634 24.16125 35.58620 35.73793 49.88969 50.01789 50.07178 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.319377 -0.057731 -0.188713 0.258000 -0.186445 0.368273 -0.053985 0.060206 -0.486411 -0.453670 -0.606762 -0.482486 0.462441 0.335916 -0.031742 0.043156 0.319713 -1.006589 -0.642506 -0.367637 -0.175809 0.163231 0.166125 0.155789 0.183652 0.149246 0.141217 0.141095 0.137500 0.137157 0.164301 0.308109 0.138918 0.137484 0.129709 0.178037 0.145058 0.148008 0.155132 0.167654 0.164739 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 O O O N N C C C C C C C C C C C C C C C C -0.319377 -0.057731 -0.188713 0.258000 0.121664 0.368273 0.109246 0.060206 0.019155 -0.022113 -0.167804 -0.482486 0.462441 0.335916 0.107176 0.180640 0.319713 -0.876881 -0.642506 0.103465 0.311717 0.00000 2.08599196e+00 -2.13894678e-01 5.63381864e-01 2.59223592e+02 -1.55364839e+01 2.17114458e+02 9.54288528e+00 4.45017591e+00 1.62168925e+02 -2.3659 -0.0004 0.0005 0.0007 0.8792 1.9091 8.2877 33.0219 41.0254 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 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|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 7.7814 33.0196 41.0248 45.8413 67.2961 72.9727 100.4472 107.1177 126.7139 148.6774 158.1946 167.4126 200.6151 211.9244 220.4219 230.5566 236.2094 249.2827 286.1488 293.6360 316.3977 333.9834 359.6440 366.3625 378.3972 399.0022 423.2580 445.7540 482.5361 512.6009 549.6513 565.9671 597.6363 618.2179 630.2997 688.3952 722.8330 726.5308 757.5335 772.1597 797.3008 809.4737 845.2481 864.4940 893.9455 914.5854 924.7193 946.6634 951.1889 965.7836 972.4487 982.9640 992.7556 1026.9220 1056.5188 1062.3265 1064.9379 1098.0801 1117.4226 1138.9225 1168.0673 1173.2628 1178.8408 1198.1793 1208.7622 1223.7880 1230.0913 1261.6163 1279.2575 1293.2863 1311.2003 1330.4033 1352.4400 1359.9749 1401.9751 1407.8888 1417.3255 1422.4777 1423.1369 1430.3315 1470.3381 1483.2135 1485.5487 1492.8006 1493.1402 1493.2497 1496.3567 1497.0493 1508.4529 1512.7666 1523.2843 1538.4462 1605.9687 1647.3032 1691.0839 1769.9167 1807.9561 3022.2459 3022.8788 3023.3180 3029.5687 3039.0570 3046.1495 3079.2250 3086.4366 3090.4235 3092.2502 3104.0151 3104.5420 3111.3318 3120.1861 3127.0788 3155.4719 3160.8325 3179.4397 3187.2447 3633.6764 4.4529 1.0315 4.2756 4.1125 3.0188 3.4564 3.4213 4.3768 3.5871 1.9532 1.9900 5.0677 4.1983 3.4936 1.2688 1.6316 2.5556 1.1107 3.7588 2.4194 3.8917 2.5021 4.7370 3.9234 3.0562 3.6749 3.4459 2.6701 1.6448 2.3345 3.6833 4.3670 4.0707 5.8457 3.4537 6.7694 4.8944 5.4564 5.2917 7.4702 5.4905 5.2621 1.3881 2.6605 3.4577 3.3431 1.5277 1.1954 3.2998 2.0867 1.4633 1.3947 4.3966 1.5227 2.4131 1.5995 2.0371 2.4627 2.6427 2.7529 2.6155 1.2816 1.6141 2.0200 1.5698 2.7276 2.4998 4.7835 2.2862 3.8748 1.6072 6.9067 1.3989 1.3503 1.2419 1.2201 1.2408 2.2486 1.3616 2.6572 1.1964 1.0437 1.0533 1.0598 1.0697 1.0900 1.0496 1.0506 1.0443 1.0535 1.0492 3.0807 6.3727 5.9795 10.6018 11.6861 11.1045 1.0753 1.0396 1.0423 1.0356 1.0345 1.0296 1.0959 1.1015 1.1015 1.1014 1.1021 1.1028 1.1034 1.1071 1.1017 1.1067 1.0881 1.0945 1.0909 1.0801 0.0002 0.0007 0.0042 0.0051 0.0081 0.0108 0.0203 0.0296 0.0339 0.0254 0.0293 0.0837 0.0996 0.0924 0.0363 0.0511 0.0840 0.0407 0.1813 0.1229 0.2295 0.1644 0.3610 0.3103 0.2578 0.3447 0.3637 0.3126 0.2256 0.3614 0.6556 0.8242 0.8566 1.3163 0.8084 1.8901 1.5067 1.6969 1.7892 2.6242 2.0564 2.0315 0.5843 1.1715 1.6280 1.6476 0.7697 0.6312 1.7590 1.1467 0.8153 0.7940 2.5530 0.9461 1.5870 1.0635 1.3611 1.7496 1.9442 2.1039 2.1025 1.0394 1.3216 1.7086 1.3514 2.4068 2.2286 4.4859 2.2044 3.8184 1.6280 7.2026 1.5076 1.4714 1.4381 1.4249 1.4685 2.6807 1.6248 3.2030 1.5239 1.3527 1.3695 1.3915 1.4051 1.4320 1.3846 1.3872 1.4000 1.4205 1.4344 4.2959 9.6838 9.5601 17.8632 21.5688 21.3857 5.7868 5.5970 5.6130 5.6001 5.6293 5.6291 6.1221 6.1823 6.1985 6.2051 6.2565 6.2624 6.2931 6.3503 6.3471 6.4927 6.4050 6.5190 6.5295 8.4026 0.3432 0.2657 0.0343 1.2513 1.6368 1.0391 0.5749 1.1708 1.6360 2.5833 0.7899 2.5198 1.6831 0.4155 0.1966 0.3093 3.0998 0.4575 1.0754 3.1389 8.9922 0.3168 0.6656 10.1683 10.6006 4.0521 1.0228 9.6362 34.9960 32.3662 20.2897 2.1601 0.8555 3.6273 13.2184 2.6009 1.6352 0.6529 8.7404 7.1451 10.6661 13.3310 22.4888 9.6535 3.6253 5.2664 2.7030 0.9225 5.6441 4.6490 0.1900 2.1676 12.1131 2.2710 33.8026 23.4695 72.9257 41.1961 42.5694 28.9931 32.7163 0.7469 1.7205 5.6843 0.0599 149.2345 89.8997 45.9380 21.2631 210.4842 51.2645 45.0318 9.4404 9.7804 17.1434 12.2571 0.6018 147.2466 30.7933 16.7626 19.9091 10.0644 5.1789 8.8398 3.8565 4.0612 1.6867 9.4965 11.4510 9.5827 3.2533 12.3678 15.1982 17.9059 149.9623 291.5043 450.7235 8.7039 25.3095 22.7147 26.8601 18.9182 33.8484 15.7602 6.6979 36.3685 42.1086 28.6919 13.2786 16.8022 15.1768 12.9171 13.7585 8.6191 8.8217 2.6425 48.8504 -0.04 -0.15 0.02 -0.09 -0.03 0.16 0.05 0.02 -0.01 0.03 0.05 -0.07 -0.02 -0.11 -0.00 0.02 0.02 -0.05 0.03 0.09 0.03 -0.02 -0.09 -0.00 0.02 0.01 -0.16 0.03 0.09 0.13 0.07 0.19 -0.01 0.01 -0.02 -0.04 0.01 -0.01 -0.05 -0.01 -0.01 0.01 0.02 -0.01 -0.11 -0.01 -0.00 0.01 0.01 0.00 -0.04 0.03 -0.00 -0.10 -0.02 -0.01 0.05 0.01 0.01 -0.04 -0.10 -0.03 0.21 0.02 0.05 0.04 0.01 -0.02 -0.15 0.04 0.08 -0.20 0.01 -0.04 -0.20 0.04 0.12 0.12 0.04 0.14 0.19 -0.00 0.02 0.17 0.08 0.24 0.05 0.08 0.19 -0.08 0.08 0.22 -0.03 -0.04 -0.18 0.01 0.04 -0.02 -0.15 -0.02 0.00 0.06 0.04 -0.00 -0.15 0.01 0.02 -0.04 0.02 0.01 -0.04 0.01 0.01 -0.04 -0.17 -0.06 0.30 -0.13 -0.06 0.12 -0.01 0.03 0.24 0.00 0.02 -0.00 -0.01 -0.00 0.01 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 0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.01 0.01 0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.15 0.60 0.02 -0.13 -0.25 0.47 0.02 -0.24 -0.51 -0.02 -0.00 0.01 -0.02 -0.01 0.00 -0.01 -0.00 0.01 -0.06 -0.14 0.01 0.14 0.02 0.00 0.05 0.11 0.07 -0.03 0.08 -0.05 -0.02 0.02 -0.03 -0.05 -0.02 -0.03 0.02 -0.08 0.02 -0.05 -0.06 -0.01 -0.17 -0.05 -0.06 0.15 -0.06 0.06 0.01 -0.05 0.00 -0.02 0.08 -0.05 -0.02 0.07 -0.04 0.00 0.04 0.01 -0.06 0.06 -0.06 -0.01 -0.01 0.04 -0.06 -0.02 0.02 -0.08 0.01 -0.03 0.06 0.06 0.03 -0.07 -0.07 0.07 0.22 0.04 -0.00 0.00 -0.17 0.03 -0.19 -0.13 -0.04 -0.18 -0.02 -0.07 -0.21 -0.01 -0.08 0.17 0.04 0.05 0.20 -0.10 0.09 0.17 -0.08 0.07 0.07 -0.09 0.04 -0.08 -0.08 -0.02 0.02 0.05 -0.02 -0.03 -0.01 -0.02 -0.08 0.09 -0.10 0.01 -0.03 0.08 -0.11 0.00 -0.05 -0.07 0.10 0.08 -0.13 -0.16 0.22 -0.03 -0.17 -0.07 0.28 0.00 -0.03 0.25 0.11 0.04 0.20 0.02 -0.01 -0.07 0.08 0.03 -0.09 -0.01 0.01 0.06 -0.02 -0.15 0.05 0.02 -0.06 -0.05 0.02 -0.06 0.03 0.03 0.01 0.09 -0.01 0.06 -0.03 0.05 -0.00 -0.01 0.02 0.06 0.08 -0.02 -0.04 0.21 -0.08 0.10 0.00 0.01 -0.09 0.00 -0.01 -0.10 -0.01 -0.01 -0.04 -0.01 -0.01 -0.08 -0.02 -0.01 0.06 -0.03 -0.01 0.09 -0.02 -0.01 0.01 -0.01 -0.01 -0.07 -0.06 -0.02 0.23 -0.11 -0.01 -0.01 0.04 0.02 0.14 -0.03 0.02 0.11 0.03 0.00 0.07 -0.04 0.05 0.04 0.13 -0.05 -0.14 0.13 -0.04 0.01 -0.02 0.03 -0.07 0.24 -0.10 0.12 0.23 -0.07 0.18 0.25 -0.14 0.02 -0.08 0.03 -0.08 -0.00 -0.01 -0.13 -0.03 -0.01 0.11 -0.02 -0.01 0.03 -0.17 -0.01 0.25 -0.02 -0.02 0.27 -0.02 -0.02 0.29 -0.19 -0.00 0.07 -0.14 -0.04 -0.11 -0.01 0.01 0.01 0.02 0.07 -0.01 -0.06 -0.01 0.03 0.08 -0.02 -0.12 0.01 0.04 0.01 0.01 0.04 0.01 0.00 0.02 0.01 0.03 -0.06 -0.02 0.02 0.05 -0.00 -0.05 0.01 0.06 0.21 -0.02 0.10 -0.16 0.01 -0.07 0.01 0.03 0.01 -0.00 0.01 0.02 0.02 -0.01 -0.03 -0.03 -0.00 0.07 0.02 -0.02 -0.05 -0.01 -0.03 -0.02 -0.03 -0.02 0.05 0.02 -0.01 -0.05 -0.00 -0.05 -0.05 -0.10 -0.02 0.06 0.05 -0.21 -0.10 -0.07 -0.01 0.10 -0.03 -0.01 0.07 -0.09 0.05 0.04 0.16 0.13 0.24 0.19 -0.09 0.01 0.41 -0.06 0.13 -0.09 -0.08 -0.07 -0.35 -0.05 -0.16 -0.19 0.22 -0.00 0.02 0.05 0.01 -0.05 0.01 0.11 0.03 -0.03 -0.09 -0.05 -0.02 0.09 0.02 -0.06 -0.06 -0.03 -0.05 -0.06 -0.00 -0.06 -0.06 -0.18 -0.02 0.15 -0.13 -0.07 -0.04 -0.01 0.03 0.08 0.04 -0.06 -0.02 -0.02 0.00 0.04 0.09 0.02 -0.08 -0.03 0.11 0.00 0.02 -0.03 0.06 -0.03 0.04 -0.02 0.01 0.01 -0.00 0.01 -0.02 0.00 -0.11 0.02 -0.07 -0.05 -0.01 -0.14 0.15 -0.09 0.05 -0.01 0.05 0.05 -0.02 0.03 0.09 0.01 0.01 -0.00 -0.05 0.02 0.17 0.02 -0.01 -0.06 -0.01 -0.01 -0.03 -0.05 -0.00 0.11 0.03 0.02 -0.03 0.01 -0.04 -0.14 -0.03 0.00 0.07 -0.03 0.09 0.08 -0.09 -0.06 -0.13 -0.19 0.05 -0.09 -0.10 0.04 -0.05 0.01 -0.09 -0.29 0.01 -0.01 -0.05 -0.22 0.05 -0.17 0.12 -0.07 0.05 0.26 -0.06 0.16 0.17 -0.24 -0.00 0.03 -0.09 0.09 -0.08 0.03 0.25 0.04 -0.02 -0.15 -0.08 -0.01 0.16 0.09 -0.08 -0.16 -0.04 -0.03 -0.19 -0.01 -0.04 -0.18 -0.09 -0.01 0.15 -0.06 -0.03 -0.01 0.06 0.05 0.10 -0.03 -0.05 0.02 0.10 -0.02 -0.11 -0.09 0.05 0.07 0.01 -0.05 -0.02 0.01 0.07 -0.07 0.01 -0.03 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.05 -0.02 -0.00 -0.02 0.00 0.02 0.02 0.03 -0.00 0.01 0.02 -0.05 0.02 0.02 -0.06 0.04 0.01 -0.16 -0.01 0.01 0.08 0.04 -0.00 -0.15 0.00 -0.00 0.01 -0.03 -0.00 0.13 0.02 0.02 -0.08 -0.02 -0.02 0.08 -0.08 -0.03 0.19 0.00 0.01 0.01 0.05 0.01 0.01 0.08 -0.02 -0.01 0.06 -0.04 -0.01 -0.03 -0.01 0.03 -0.04 0.02 0.02 -0.02 -0.01 0.03 0.02 0.04 0.01 0.03 0.03 -0.01 0.02 0.03 -0.01 -0.00 0.07 -0.07 -0.04 0.02 0.18 0.06 -0.01 -0.22 -0.06 -0.01 0.27 -0.07 -0.01 0.09 -0.01 -0.03 0.11 0.02 -0.04 0.10 0.06 -0.07 0.07 -0.01 -0.18 0.53 -0.42 0.15 0.20 -0.06 -0.13 0.09 -0.01 0.01 0.06 0.19 0.05 -0.18 -0.01 -0.10 0.05 0.02 0.12 -0.04 -0.01 -0.07 0.05 -0.09 -0.01 0.01 -0.02 -0.04 0.04 0.07 -0.05 0.06 -0.21 -0.03 -0.00 -0.14 -0.01 0.00 0.01 0.04 -0.01 0.03 0.05 -0.04 0.04 0.03 -0.04 0.01 0.04 -0.03 0.04 0.02 -0.02 0.02 0.01 -0.01 0.01 0.02 -0.02 0.08 0.04 -0.07 0.00 -0.01 0.04 0.05 0.02 0.03 -0.05 0.06 -0.04 0.07 0.02 0.08 0.12 -0.06 0.07 0.09 -0.09 0.06 -0.24 -0.11 0.04 -0.27 0.02 -0.04 -0.20 -0.01 -0.01 -0.23 0.04 -0.05 -0.05 0.02 -0.01 -0.18 -0.10 0.07 0.01 0.16 -0.05 0.00 0.05 -0.03 0.04 0.01 -0.02 -0.01 0.02 -0.01 -0.03 -0.00 0.05 0.00 -0.02 0.06 0.03 -0.02 0.06 -0.15 -0.02 0.27 -0.04 0.03 -0.28 0.39 0.07 0.09 -0.04 0.11 -0.03 -0.01 -0.11 0.05 0.00 0.09 -0.04 -0.00 -0.02 -0.04 -0.07 -0.12 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.04 0.01 -0.02 -0.00 0.00 0.02 0.02 -0.01 0.02 0.00 0.00 -0.00 -0.04 -0.09 -0.02 -0.03 -0.06 -0.03 -0.06 -0.02 -0.08 0.03 -0.04 0.07 -0.05 0.04 -0.09 0.01 0.07 0.00 0.04 0.02 0.10 -0.04 -0.01 -0.03 0.03 0.17 0.02 0.22 -0.07 0.07 -0.00 -0.02 0.01 -0.02 0.02 0.06 0.03 -0.01 0.03 -0.02 0.01 0.00 0.01 0.01 0.03 0.02 -0.01 0.01 0.04 -0.02 0.02 0.03 -0.01 0.01 -0.03 -0.01 -0.01 0.01 0.04 -0.02 -0.09 -0.12 -0.01 0.06 -0.08 0.14 -0.08 0.08 -0.15 0.07 0.03 0.20 0.01 0.16 0.02 0.12 0.21 -0.00 -0.03 0.24 0.06 0.14 -0.20 0.26 0.18 0.08 -0.18 0.53 -0.03 0.12 0.00 0.02 0.03 0.02 -0.01 -0.01 0.07 0.01 -0.08 0.01 0.06 0.01 -0.03 -0.12 0.09 -0.00 0.04 0.02 -0.02 0.01 -0.02 -0.00 -0.01 0.04 -0.04 0.03 0.01 -0.02 0.01 -0.05 -0.08 -0.03 -0.01 -0.01 -0.02 0.04 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.05 0.00 0.01 -0.02 0.02 0.01 -0.02 0.03 0.01 -0.07 0.03 0.00 -0.04 0.01 0.03 0.06 0.01 -0.01 0.05 0.00 0.02 -0.05 -0.03 -0.00 -0.01 -0.08 0.03 0.01 -0.04 0.05 0.03 -0.02 -0.01 -0.06 -0.02 -0.00 -0.06 -0.03 0.03 -0.06 -0.14 -0.03 -0.07 -0.04 -0.02 0.01 -0.12 -0.08 0.06 -0.04 -0.14 0.09 0.03 -0.01 -0.07 -0.00 0.01 -0.01 0.04 0.01 -0.09 -0.06 0.04 0.07 0.04 0.02 0.09 0.02 0.03 0.10 0.34 -0.00 -0.31 0.15 0.03 0.54 -0.49 -0.06 -0.04 -0.02 0.01 -0.03 -0.06 -0.01 0.07 0.06 -0.00 -0.06 -0.02 -0.07 -0.02 0.01 0.09 -0.08 -0.01 -0.04 -0.01 -0.00 -0.01 0.02 -0.02 0.01 -0.04 0.02 -0.03 0.00 -0.01 -0.01 0.05 0.06 0.03 0.01 -0.01 0.00 -0.05 -0.01 -0.01 -0.00 -0.02 -0.00 0.04 -0.01 -0.01 0.05 -0.02 0.01 0.06 -0.01 0.01 0.03 -0.01 0.00 0.07 -0.01 -0.01 0.02 0.02 0.03 -0.09 0.04 -0.00 -0.02 -0.02 -0.02 0.04 0.01 0.00 0.04 0.08 -0.04 0.00 0.01 -0.05 -0.02 -0.01 -0.01 0.07 -0.02 0.00 0.05 0.01 -0.03 0.06 0.11 0.02 0.07 0.02 0.01 -0.01 0.09 0.08 -0.05 0.01 0.13 -0.10 -0.01 -0.01 0.05 -0.03 0.01 0.07 -0.01 0.01 0.08 0.11 0.00 -0.10 -0.01 0.05 -0.14 -0.03 0.05 -0.13 0.39 0.03 -0.40 0.19 0.15 0.42 -0.40 -0.18 -0.13 0.16 0.22 -0.20 0.05 0.04 -0.04 0.05 0.03 -0.04 -0.06 -0.06 0.04 0.02 -0.07 0.04 -0.06 -0.12 0.01 -0.05 -0.05 0.09 0.03 -0.02 -0.04 -0.12 -0.13 -0.06 -0.14 -0.06 0.20 0.07 0.06 0.07 -0.01 -0.01 0.05 0.00 0.04 0.02 0.02 0.03 -0.01 -0.00 0.03 -0.04 0.02 0.00 -0.03 0.00 -0.01 -0.03 -0.00 0.01 -0.07 0.05 0.03 -0.04 -0.02 -0.04 0.06 -0.03 0.03 0.04 -0.08 -0.03 0.14 -0.12 -0.21 -0.09 -0.17 -0.07 -0.09 -0.14 -0.13 -0.07 -0.15 -0.08 0.20 -0.17 0.04 0.25 -0.18 -0.13 0.23 0.14 0.09 0.18 0.06 0.05 0.03 0.13 0.10 -0.03 0.10 0.17 -0.01 -0.01 0.04 -0.06 0.04 -0.01 -0.03 -0.02 0.01 -0.11 -0.09 -0.02 0.07 -0.03 -0.06 0.10 0.03 -0.07 0.08 -0.08 0.03 0.10 -0.05 -0.05 0.03 -0.02 0.11 0.07 -0.12 0.06 0.02 0.19 0.03 -0.15 0.08 -0.03 -0.01 0.00 0.00 -0.07 -0.09 -0.08 -0.04 -0.02 -0.00 -0.02 -0.02 -0.00 -0.01 -0.08 0.00 -0.01 -0.05 -0.00 0.03 -0.04 -0.01 -0.00 -0.03 0.01 -0.01 -0.02 -0.03 -0.08 0.00 -0.01 -0.03 0.00 -0.01 0.10 0.04 -0.00 0.01 -0.02 -0.01 0.22 0.03 0.00 0.12 0.04 0.01 0.06 0.10 -0.01 -0.02 0.09 0.06 -0.13 -0.08 0.00 0.08 -0.01 0.00 -0.01 -0.10 0.00 0.16 0.08 -0.01 0.03 -0.14 0.01 -0.06 -0.03 -0.02 -0.02 -0.04 0.01 0.01 -0.06 -0.01 -0.00 -0.02 0.00 -0.01 -0.04 0.00 -0.02 -0.03 0.02 -0.01 -0.13 -0.07 -0.06 0.06 -0.02 -0.05 -0.04 0.00 0.28 0.05 0.01 -0.00 0.31 0.00 -0.17 0.05 0.10 -0.24 -0.03 0.11 -0.21 -0.25 0.02 0.25 -0.15 -0.27 0.01 -0.04 0.23 0.15 -0.01 -0.05 0.01 0.03 -0.10 -0.03 -0.01 -0.11 -0.01 -0.04 0.05 0.03 0.04 0.21 -0.03 -0.05 0.04 -0.00 -0.03 0.03 0.01 -0.00 0.06 -0.01 -0.20 0.01 -0.03 -0.04 0.03 -0.01 0.02 0.03 0.02 -0.01 0.06 0.04 -0.01 -0.05 0.05 0.01 -0.06 0.01 0.05 -0.04 -0.01 0.02 -0.01 -0.01 0.07 0.01 -0.02 0.08 -0.00 -0.07 0.01 -0.09 -0.01 0.08 0.11 0.06 0.01 -0.11 0.01 -0.04 0.03 0.04 -0.16 -0.13 -0.15 -0.39 0.03 -0.02 -0.18 0.11 0.06 -0.08 0.01 0.06 -0.08 0.01 -0.09 0.04 0.06 -0.02 0.25 -0.13 0.14 -0.24 -0.05 0.04 0.10 0.27 -0.12 0.04 0.12 0.00 0.09 -0.07 -0.02 -0.01 0.02 -0.01 0.11 0.00 -0.12 0.01 0.14 0.07 0.20 0.14 0.08 0.04 0.18 0.11 -0.01 -0.12 0.04 0.00 -0.14 0.01 0.02 -0.07 0.03 0.01 -0.04 -0.01 0.00 0.02 -0.01 0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.05 0.02 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.01 -0.00 0.03 0.01 0.07 -0.03 -0.00 -0.04 0.05 0.02 -0.02 -0.00 -0.02 0.01 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.02 -0.00 -0.02 -0.02 -0.00 -0.00 0.02 0.01 -0.01 0.02 -0.01 0.05 0.07 0.06 0.02 -0.06 0.11 0.06 0.04 0.12 -0.12 -0.04 0.11 -0.14 -0.02 -0.21 0.13 0.04 -0.06 0.44 -0.26 0.19 -0.42 -0.13 -0.02 0.18 0.48 -0.24 -0.00 -0.07 0.03 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.02 -0.02 -0.00 -0.03 -0.02 0.00 -0.01 -0.03 -0.00 -0.01 0.02 0.01 -0.00 0.01 0.01 -0.01 0.03 0.01 -0.00 -0.01 -0.01 -0.03 0.01 0.05 -0.00 -0.01 0.04 0.01 0.04 -0.04 -0.01 -0.03 -0.01 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.09 0.00 0.10 -0.06 -0.01 -0.01 -0.00 0.04 -0.03 0.01 0.01 -0.03 0.02 0.01 -0.02 0.04 -0.00 -0.02 0.03 0.01 0.01 0.05 -0.01 -0.05 0.04 -0.01 -0.01 0.02 0.00 0.03 0.01 -0.01 0.03 0.03 -0.04 0.02 -0.01 0.00 -0.04 0.00 0.01 -0.02 -0.31 0.00 0.58 0.37 -0.02 0.08 -0.42 0.03 -0.25 -0.00 -0.04 -0.11 -0.01 0.04 0.10 -0.20 -0.03 -0.00 -0.00 0.07 -0.01 -0.00 0.04 -0.07 -0.00 0.07 -0.03 -0.02 -0.04 -0.01 0.03 0.00 0.03 0.05 -0.00 -0.07 0.01 -0.00 0.07 0.00 -0.03 0.02 0.02 -0.05 0.03 0.06 -0.05 0.03 -0.00 0.04 -0.09 -0.01 0.04 -0.05 -0.02 -0.08 -0.07 0.10 -0.10 -0.07 0.03 -0.03 -0.09 -0.01 0.00 -0.07 -0.04 -0.02 0.05 0.05 0.05 0.03 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.04 -0.00 -0.02 0.06 0.03 0.09 0.06 0.01 -0.01 0.03 0.03 -0.02 -0.02 -0.00 0.06 -0.04 -0.02 0.07 -0.07 -0.00 0.04 -0.04 -0.02 -0.01 -0.07 0.01 0.05 -0.06 0.01 -0.01 -0.03 -0.00 -0.08 -0.03 -0.00 -0.05 -0.06 0.07 -0.00 0.03 -0.02 0.07 -0.02 -0.03 0.01 -0.07 0.15 0.42 0.44 -0.01 0.09 -0.11 -0.03 -0.14 0.19 0.06 -0.25 0.23 0.01 0.23 -0.20 -0.03 0.00 -0.01 0.09 -0.01 0.11 0.05 -0.04 0.03 -0.03 -0.01 0.09 0.02 0.05 -0.04 -0.01 -0.03 -0.08 0.01 0.07 -0.00 0.00 -0.16 -0.06 0.08 -0.00 -0.01 0.08 -0.00 -0.09 0.10 0.00 0.02 -0.10 0.14 0.03 -0.06 0.10 0.03 0.11 0.11 0.02 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.02 -0.01 0.01 0.00 0.00 0.01 0.01 -0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.02 0.03 -0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.02 0.03 -0.00 -0.08 0.01 0.16 0.14 0.02 -0.01 -0.12 0.01 -0.12 -0.26 -0.02 0.48 -0.31 -0.03 -0.40 0.47 0.06 0.02 -0.10 0.06 -0.06 0.21 0.03 0.06 -0.00 -0.23 0.06 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.01 -0.01 0.01 -0.02 0.02 0.01 -0.00 0.01 0.01 0.01 0.02 -0.08 0.01 -0.02 0.11 0.04 0.06 0.15 0.04 0.06 -0.11 -0.07 0.02 -0.06 0.02 -0.00 -0.08 -0.01 -0.03 -0.05 -0.01 -0.01 -0.08 0.00 -0.02 0.09 0.02 -0.06 0.09 0.01 -0.02 0.05 -0.02 -0.00 -0.08 -0.04 0.04 -0.05 -0.02 0.09 -0.01 -0.03 0.04 -0.01 -0.01 0.06 0.01 -0.04 -0.13 0.02 -0.03 -0.12 0.01 -0.02 -0.05 0.11 0.00 0.09 0.02 0.09 0.07 -0.11 0.00 -0.08 -0.08 -0.05 0.04 0.05 0.16 0.08 0.32 0.06 -0.09 0.07 -0.12 -0.19 0.06 0.11 0.07 0.09 -0.09 -0.11 0.24 0.03 -0.03 0.05 0.02 0.03 0.12 0.01 0.02 0.08 -0.08 -0.06 -0.05 -0.01 0.01 -0.01 -0.02 0.11 0.01 -0.03 -0.18 -0.00 -0.03 -0.04 -0.16 0.14 0.10 0.18 0.10 0.15 0.00 0.15 0.17 -0.20 0.18 -0.13 -0.15 -0.14 -0.12 -0.17 -0.09 -0.12 0.06 -0.11 -0.14 0.02 -0.00 0.03 0.03 0.02 0.03 -0.01 0.03 -0.06 -0.01 -0.03 -0.03 -0.03 0.04 -0.03 -0.02 0.04 0.02 -0.01 -0.00 -0.07 -0.01 0.06 0.17 -0.01 0.05 0.08 -0.02 -0.03 0.06 -0.01 -0.00 -0.04 -0.00 -0.00 -0.03 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.01 0.03 0.03 -0.00 0.02 0.02 0.02 -0.00 -0.04 -0.02 -0.04 -0.03 0.04 0.04 0.13 0.15 -0.13 -0.36 -0.15 0.30 0.21 0.22 0.54 0.00 0.09 0.06 0.01 0.08 0.13 -0.04 -0.01 0.10 -0.13 -0.00 -0.04 0.09 0.01 0.15 -0.06 -0.19 0.12 -0.04 -0.12 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.01 -0.01 0.06 0.03 0.03 -0.00 0.05 0.04 -0.01 -0.01 0.05 -0.00 -0.06 0.05 -0.06 -0.05 -0.05 -0.05 -0.05 -0.06 -0.05 0.06 0.02 0.08 0.06 -0.01 0.04 0.07 0.12 0.05 0.12 0.04 0.01 0.08 0.01 0.00 0.10 -0.01 0.04 0.08 -0.03 -0.01 0.09 0.00 0.05 -0.05 -0.05 -0.00 -0.07 -0.05 0.00 -0.01 0.03 -0.05 0.06 0.02 -0.02 0.00 -0.04 -0.06 -0.04 -0.02 -0.03 -0.08 -0.06 -0.05 -0.09 -0.06 -0.02 -0.13 -0.06 0.01 -0.10 -0.10 0.04 0.03 0.01 0.04 -0.08 0.19 -0.03 -0.09 -0.04 -0.08 0.12 0.02 -0.07 -0.06 -0.20 -0.03 -0.14 -0.01 -0.02 -0.10 0.02 -0.00 -0.07 -0.17 -0.04 -0.11 0.05 0.05 -0.18 -0.07 0.01 -0.02 0.04 -0.05 -0.05 0.02 -0.13 -0.04 0.11 0.01 0.07 0.00 0.00 -0.12 -0.01 -0.07 -0.04 -0.10 -0.03 -0.10 -0.10 0.10 -0.02 0.22 -0.04 0.13 0.26 -0.05 -0.26 0.35 -0.04 -0.15 0.10 -0.12 -0.12 -0.14 -0.11 -0.13 -0.12 -0.11 0.07 -0.01 -0.08 0.01 -0.05 0.02 -0.00 -0.01 0.02 0.01 0.03 -0.00 -0.01 -0.01 0.02 -0.02 0.01 0.03 -0.03 0.05 0.09 -0.01 -0.03 0.01 0.07 0.01 -0.10 0.01 0.05 -0.02 -0.11 -0.09 0.16 0.00 0.05 -0.02 0.01 0.03 -0.08 0.02 -0.00 -0.04 -0.01 0.03 -0.07 0.01 0.00 0.01 -0.01 0.01 0.06 -0.03 0.02 0.05 0.02 -0.03 -0.00 0.01 0.03 -0.02 -0.02 -0.07 -0.03 -0.03 0.06 0.10 -0.01 0.06 0.11 0.35 0.12 -0.17 -0.03 -0.14 -0.33 0.03 0.05 -0.06 0.04 -0.03 -0.04 0.00 0.13 -0.05 0.06 -0.34 0.13 -0.38 -0.17 0.26 -0.09 0.11 0.13 0.01 0.13 -0.02 -0.01 0.04 -0.10 0.01 0.00 0.01 -0.05 0.01 0.09 0.10 0.02 -0.04 0.01 0.05 -0.06 -0.04 0.06 -0.06 -0.03 -0.02 -0.05 -0.02 -0.08 -0.04 -0.02 -0.11 -0.04 0.03 -0.03 -0.02 -0.04 0.13 -0.03 -0.01 0.17 -0.02 0.01 -0.13 0.01 0.02 0.06 -0.06 0.02 0.01 0.02 -0.00 0.10 0.07 0.01 0.00 -0.01 -0.12 -0.03 -0.03 0.06 0.13 -0.08 -0.07 0.02 0.13 0.00 -0.15 0.01 0.02 -0.14 0.01 -0.05 -0.03 -0.01 0.08 -0.14 0.01 -0.05 -0.08 0.00 0.02 -0.09 0.01 0.08 -0.14 0.01 -0.04 0.09 -0.02 0.04 -0.05 0.00 0.01 0.17 0.02 -0.01 0.12 0.08 -0.18 -0.20 0.06 -0.12 0.03 -0.05 -0.25 0.06 -0.12 0.08 0.14 -0.12 0.11 -0.01 -0.14 0.08 0.27 -0.14 -0.06 -0.09 0.04 -0.15 -0.00 0.20 -0.10 0.04 0.17 -0.02 -0.06 -0.03 0.09 -0.16 0.01 -0.04 -0.09 0.02 0.11 -0.13 0.00 0.06 -0.05 0.00 0.05 -0.05 0.00 0.03 -0.05 -0.01 0.03 0.10 0.05 0.02 0.20 0.04 0.02 0.22 0.04 0.02 -0.01 0.00 0.04 -0.13 0.02 0.03 0.22 0.02 -0.03 -0.07 0.07 0.00 0.02 0.04 -0.02 -0.01 0.02 -0.02 0.01 -0.01 0.00 0.00 0.02 -0.05 -0.02 0.02 0.05 0.02 -0.06 0.04 0.07 -0.03 -0.02 -0.04 0.06 -0.01 -0.01 -0.03 -0.04 0.00 -0.07 0.05 0.01 -0.03 -0.02 0.09 0.06 0.02 0.11 0.09 0.05 0.10 0.01 -0.02 -0.01 -0.04 -0.01 -0.12 -0.03 -0.08 -0.19 -0.09 -0.03 -0.00 0.00 -0.04 -0.07 -0.01 -0.10 -0.01 0.01 -0.05 0.01 0.04 0.04 0.05 -0.04 0.06 -0.07 -0.13 0.12 0.09 -0.10 -0.03 0.19 0.00 0.16 0.11 -0.09 0.04 -0.00 -0.04 0.01 0.01 0.05 0.10 -0.04 -0.05 -0.07 0.14 0.09 0.11 0.11 -0.02 0.09 -0.20 -0.05 -0.27 -0.17 -0.08 0.12 -0.27 -0.09 -0.15 -0.04 -0.14 -0.11 -0.28 -0.13 -0.13 -0.28 -0.13 -0.02 0.01 0.02 0.01 -0.03 -0.02 0.00 0.12 -0.00 0.05 0.09 -0.08 0.02 0.04 -0.06 0.05 0.04 -0.03 0.05 -0.02 -0.01 0.02 0.03 -0.03 0.05 0.05 -0.05 -0.08 -0.04 0.12 -0.04 -0.13 0.03 0.02 -0.01 -0.04 -0.01 -0.05 0.08 -0.05 -0.01 0.02 0.02 -0.05 0.15 -0.03 0.03 0.05 0.02 0.04 -0.08 0.06 0.01 -0.10 -0.04 0.01 -0.01 -0.02 -0.07 0.02 -0.03 -0.04 -0.02 0.06 -0.01 -0.04 0.02 0.08 0.02 0.14 0.07 -0.07 0.02 0.01 -0.12 -0.07 -0.09 0.08 -0.10 0.15 0.27 -0.23 -0.20 0.19 0.07 -0.32 -0.02 -0.22 -0.18 0.13 -0.04 -0.01 0.03 -0.02 -0.21 0.01 0.03 -0.07 0.26 -0.07 0.05 0.14 0.12 0.03 -0.18 -0.14 -0.06 0.04 -0.09 -0.11 0.08 0.11 -0.15 0.07 -0.05 -0.01 -0.02 -0.04 -0.07 -0.03 -0.04 -0.04 -0.02 -0.00 -0.02 -0.00 -0.05 0.03 -0.00 -0.03 0.09 0.00 -0.06 0.06 0.06 -0.03 0.07 0.08 -0.06 0.06 -0.02 -0.06 -0.07 -0.09 -0.02 0.06 0.01 0.04 0.10 -0.05 -0.03 -0.07 0.11 0.06 -0.09 -0.09 -0.04 0.01 0.10 -0.00 -0.03 -0.04 0.02 -0.02 -0.07 0.06 -0.03 -0.14 0.01 -0.09 -0.01 0.03 -0.09 0.15 0.03 -0.08 0.07 -0.02 0.03 -0.04 0.11 -0.01 -0.01 -0.00 0.05 -0.00 -0.07 -0.11 -0.07 0.05 0.21 -0.03 0.14 0.13 -0.07 0.09 -0.02 -0.09 -0.03 0.02 0.13 -0.02 0.06 0.24 -0.06 -0.27 0.20 0.14 -0.08 0.00 0.08 -0.08 -0.04 0.13 -0.11 -0.23 -0.04 -0.16 0.16 0.08 -0.04 -0.27 0.03 -0.09 -0.08 -0.01 -0.09 0.07 0.31 -0.03 -0.04 0.12 0.04 -0.09 -0.02 0.06 -0.10 0.02 0.01 -0.00 0.01 0.09 -0.00 0.01 0.04 -0.00 -0.00 0.00 -0.04 -0.07 -0.02 0.02 -0.06 0.08 0.02 -0.01 0.04 -0.00 -0.03 -0.02 0.03 -0.04 -0.03 0.02 -0.01 -0.03 0.04 -0.04 -0.03 0.01 0.03 -0.02 0.02 0.02 -0.04 -0.05 0.00 0.07 0.01 0.00 0.08 -0.01 0.02 0.06 -0.03 0.09 0.01 -0.15 -0.04 0.04 0.17 0.02 -0.10 0.16 0.04 -0.12 -0.02 -0.00 -0.07 -0.14 0.01 0.02 -0.09 0.10 0.05 0.02 -0.00 -0.02 -0.02 -0.02 -0.04 0.06 0.06 0.05 -0.03 0.02 -0.03 0.02 0.10 -0.07 0.07 0.00 -0.08 -0.04 0.00 -0.12 -0.14 0.06 0.07 -0.10 -0.05 0.18 0.05 0.06 0.09 -0.11 -0.01 0.07 0.03 -0.02 0.10 -0.01 -0.12 0.08 0.39 0.02 -0.14 0.43 -0.07 -0.10 -0.30 0.09 0.10 0.03 0.27 0.09 0.04 -0.02 0.16 0.02 0.03 -0.03 -0.04 0.01 0.05 -0.03 0.02 -0.06 -0.03 -0.01 0.02 0.08 -0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.02 -0.11 0.03 0.04 -0.07 -0.00 0.02 -0.01 -0.04 -0.09 0.10 -0.13 0.05 -0.01 0.01 -0.05 -0.02 0.01 0.01 0.17 0.06 0.03 -0.12 -0.05 0.02 -0.01 0.00 0.03 0.04 -0.02 0.05 0.02 -0.06 -0.03 0.04 0.04 0.02 -0.01 0.05 -0.02 -0.02 0.00 -0.03 -0.00 -0.04 0.02 0.00 -0.03 -0.02 0.03 -0.00 -0.00 -0.02 -0.01 -0.08 0.12 -0.15 -0.09 -0.10 0.08 -0.05 -0.07 0.03 -0.14 0.08 -0.02 0.06 0.43 0.07 0.12 0.19 0.22 0.05 -0.04 0.17 0.15 -0.28 -0.07 0.02 -0.12 0.26 0.12 -0.24 -0.22 0.12 0.21 -0.08 -0.07 0.07 0.10 0.03 -0.03 0.13 -0.05 -0.01 -0.08 -0.01 0.04 -0.01 0.03 0.05 -0.01 -0.06 0.07 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.05 -0.01 -0.02 -0.00 0.03 -0.01 -0.02 -0.03 -0.01 0.07 -0.02 -0.01 0.05 -0.04 0.02 -0.08 -0.01 -0.01 -0.01 -0.02 -0.00 0.00 0.01 0.00 -0.03 -0.00 0.01 -0.00 0.02 -0.00 0.00 -0.01 -0.00 0.01 0.01 0.01 0.06 -0.02 -0.01 -0.00 0.09 -0.03 -0.01 0.08 0.01 -0.01 -0.02 0.01 -0.03 -0.04 0.02 -0.03 0.02 0.01 -0.02 0.01 -0.05 0.01 -0.00 0.05 -0.01 0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.01 0.03 0.06 0.01 0.02 -0.06 0.05 0.05 0.00 0.07 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.21 0.86 -0.28 0.03 -0.00 -0.17 0.03 -0.03 -0.17 0.00 -0.03 -0.03 0.06 -0.01 0.01 0.06 -0.01 0.01 0.03 -0.00 0.01 -0.00 -0.04 0.01 -0.00 -0.02 0.00 -0.01 0.00 0.00 0.06 -0.06 -0.02 0.03 0.04 0.02 0.03 -0.05 0.02 0.02 -0.02 0.04 -0.05 -0.02 0.05 -0.01 0.06 0.04 -0.00 -0.03 -0.01 -0.02 0.04 0.04 -0.02 0.10 -0.03 -0.00 -0.04 0.01 0.01 -0.01 -0.03 -0.02 -0.01 -0.00 -0.00 -0.07 -0.15 -0.02 -0.04 -0.08 0.01 -0.08 0.04 -0.04 0.03 0.05 -0.00 0.05 -0.07 0.04 0.01 0.01 0.03 -0.01 0.03 -0.05 -0.01 -0.01 0.00 0.06 0.01 -0.00 -0.04 -0.02 -0.02 0.06 -0.05 -0.04 0.17 -0.06 -0.02 0.05 -0.05 -0.01 -0.05 0.02 -0.02 0.00 0.03 -0.02 -0.08 0.03 0.02 0.03 0.01 0.03 -0.00 -0.07 0.03 0.00 -0.06 0.05 0.75 -0.19 0.02 -0.11 0.22 -0.11 0.07 0.24 0.10 0.03 0.14 -0.13 -0.02 -0.00 -0.10 -0.04 0.01 0.04 -0.07 0.02 -0.00 0.07 0.01 0.00 0.05 0.01 0.00 0.05 0.01 -0.05 -0.03 0.01 -0.00 0.00 0.05 -0.01 -0.04 0.03 -0.06 -0.14 0.01 0.02 -0.06 -0.04 0.04 0.08 -0.04 0.16 -0.00 0.04 0.02 0.06 -0.07 -0.04 0.15 -0.03 -0.00 -0.07 0.01 -0.01 0.01 0.04 -0.03 -0.12 0.04 -0.00 0.03 0.13 0.07 0.03 -0.11 -0.02 0.04 0.02 0.04 0.02 -0.04 -0.06 0.00 0.18 -0.02 0.02 -0.09 0.08 0.00 -0.06 -0.05 0.02 -0.00 0.00 0.00 -0.00 0.13 -0.04 0.08 -0.06 0.05 -0.02 -0.08 0.17 -0.04 -0.09 0.20 -0.06 -0.04 -0.32 0.00 -0.12 0.09 -0.00 -0.13 -0.05 -0.00 -0.09 -0.03 -0.09 -0.12 -0.02 -0.04 -0.11 0.11 0.23 0.11 0.24 -0.11 -0.03 0.07 -0.10 0.09 -0.01 -0.18 0.02 0.02 -0.38 0.18 -0.02 -0.05 -0.11 0.06 -0.11 -0.15 0.06 -0.11 0.00 0.03 -0.02 0.00 0.02 -0.02 0.01 -0.05 -0.02 -0.04 0.05 0.03 0.02 0.05 0.05 0.02 -0.06 0.05 -0.01 0.19 -0.07 0.06 0.03 -0.00 -0.06 -0.08 -0.04 -0.12 -0.01 0.01 0.01 -0.06 -0.01 0.04 -0.12 0.03 -0.00 0.03 -0.01 -0.01 0.01 0.02 0.03 0.06 0.03 0.02 -0.12 0.06 0.03 -0.05 -0.18 0.04 -0.15 0.04 -0.01 0.06 -0.04 -0.09 0.08 0.17 0.08 -0.02 -0.07 0.08 -0.02 -0.02 -0.14 0.02 -0.02 0.00 0.08 0.00 -0.12 0.01 0.02 0.07 0.08 0.04 0.12 -0.25 0.10 0.13 -0.14 0.12 0.03 0.18 -0.02 0.08 -0.13 -0.04 0.10 0.07 -0.03 0.02 0.06 0.10 0.06 0.04 0.05 0.05 -0.04 -0.08 0.12 0.02 0.03 0.09 -0.20 -0.01 -0.02 0.08 -0.10 0.28 0.03 -0.29 0.08 -0.07 -0.07 -0.32 0.03 -0.14 -0.15 -0.03 -0.12 0.01 0.09 -0.01 0.00 0.09 -0.00 0.01 0.04 -0.01 -0.05 -0.02 -0.11 0.01 0.02 0.01 0.02 -0.03 0.01 0.05 0.06 0.10 -0.10 0.06 0.06 0.10 -0.05 0.04 0.22 0.08 -0.06 -0.10 -0.04 -0.02 0.04 -0.19 0.03 -0.00 0.11 0.00 0.03 -0.04 -0.08 -0.06 0.04 0.05 -0.11 -0.01 -0.00 -0.07 -0.04 -0.05 -0.05 0.01 0.02 -0.06 -0.02 -0.04 0.04 0.01 0.08 -0.01 0.07 -0.04 0.02 -0.01 0.01 0.10 -0.03 0.03 -0.00 0.04 0.00 0.26 0.13 -0.12 0.02 -0.30 0.04 -0.01 -0.17 0.02 -0.02 -0.13 0.01 -0.05 -0.08 0.03 -0.12 0.34 0.05 -0.13 0.01 0.05 -0.01 -0.21 -0.30 -0.11 -0.09 0.00 -0.07 -0.00 0.09 -0.02 0.24 0.03 0.00 -0.04 0.04 -0.13 0.05 -0.09 -0.03 0.06 -0.15 0.19 -0.06 0.01 0.04 -0.02 -0.02 0.09 -0.04 -0.02 -0.00 0.04 0.00 -0.00 0.03 0.00 -0.00 0.03 0.00 0.09 0.04 0.17 0.04 0.04 0.02 0.04 -0.06 0.01 -0.10 0.03 -0.06 0.16 -0.05 -0.08 -0.01 -0.00 -0.06 -0.04 -0.02 0.03 0.19 -0.01 0.00 0.00 0.03 -0.00 0.00 -0.03 -0.00 -0.02 0.03 0.06 -0.09 -0.03 -0.02 -0.21 -0.01 -0.10 -0.16 -0.08 -0.13 -0.12 0.06 -0.01 -0.16 -0.06 -0.03 0.11 0.01 0.04 -0.06 0.15 -0.04 0.01 -0.02 0.04 0.24 -0.06 0.05 -0.00 0.07 0.00 -0.06 -0.03 0.07 0.00 0.12 0.03 0.05 -0.08 0.05 0.03 0.05 0.04 0.01 -0.02 -0.01 0.02 -0.10 -0.03 0.02 0.03 -0.03 -0.03 0.05 0.07 -0.00 0.03 0.04 -0.02 0.02 0.06 0.24 -0.17 0.01 -0.04 -0.04 0.17 -0.34 0.09 0.07 -0.18 0.11 -0.00 0.30 -0.10 0.04 0.16 -0.07 0.01 0.26 -0.09 0.02 -0.01 0.08 0.00 -0.01 0.04 0.01 -0.01 0.06 0.00 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.12 -0.05 -0.06 -0.11 0.01 -0.03 0.02 0.02 0.14 -0.12 -0.03 -0.01 -0.04 0.04 0.15 -0.01 0.03 -0.00 -0.01 -0.00 -0.00 0.00 -0.02 -0.05 0.02 0.00 -0.17 -0.03 0.00 0.06 -0.03 -0.00 0.05 -0.04 0.02 0.09 -0.01 -0.01 -0.10 -0.01 -0.00 0.14 -0.01 0.03 -0.09 -0.01 -0.00 0.01 0.04 -0.01 0.03 0.00 0.00 0.00 -0.06 0.01 -0.09 -0.00 -0.10 -0.06 -0.06 0.22 -0.10 -0.02 -0.06 -0.08 0.03 0.17 -0.00 0.08 -0.10 0.03 0.07 -0.03 0.01 0.07 0.07 0.12 0.10 0.02 -0.05 0.10 -0.06 -0.23 -0.41 -0.06 -0.15 -0.02 0.02 -0.05 0.02 0.01 -0.35 0.01 0.03 -0.41 0.20 -0.05 -0.01 -0.01 0.01 -0.05 -0.02 0.01 -0.05 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.01 0.01 0.10 -0.01 0.07 -0.04 -0.12 -0.06 0.01 0.06 -0.02 0.01 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.03 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.04 -0.08 0.03 0.01 0.16 -0.07 -0.16 0.18 -0.03 0.32 0.26 0.08 -0.27 -0.14 -0.07 -0.04 -0.08 0.04 0.20 -0.17 -0.00 -0.02 0.10 0.04 -0.10 -0.02 -0.01 0.01 -0.08 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.02 -0.04 0.01 0.02 -0.04 0.01 0.00 0.01 -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 -0.01 0.05 0.14 -0.03 0.24 0.32 0.16 -0.21 -0.20 -0.10 0.04 -0.21 -0.05 -0.05 -0.06 -0.03 -0.18 -0.03 -0.04 -0.08 -0.06 -0.04 -0.07 0.10 -0.05 -0.03 -0.18 -0.04 -0.04 -0.16 -0.03 0.17 0.04 0.08 -0.03 0.00 0.04 -0.03 -0.01 0.04 -0.16 -0.02 -0.14 -0.06 0.06 -0.03 -0.07 -0.02 -0.01 0.14 0.04 -0.00 -0.02 -0.11 0.23 -0.01 -0.01 0.00 0.01 0.06 -0.00 0.03 -0.03 -0.07 -0.06 0.01 -0.07 -0.06 -0.00 0.16 0.02 -0.02 -0.07 0.06 0.01 -0.07 -0.02 -0.02 0.08 0.02 0.01 -0.11 0.03 -0.01 0.10 0.13 0.00 -0.15 -0.05 0.01 -0.03 -0.00 0.01 0.00 0.11 -0.00 0.04 0.01 0.15 0.00 0.06 -0.12 0.06 0.08 -0.06 0.07 -0.04 -0.15 0.02 -0.12 0.24 -0.02 -0.10 0.03 0.01 -0.04 -0.12 -0.24 -0.08 -0.06 -0.08 -0.07 0.02 0.11 -0.36 -0.03 -0.13 0.13 -0.02 -0.33 -0.04 -0.02 0.16 0.04 -0.01 0.12 -0.23 0.04 0.00 -0.02 -0.02 0.05 0.03 -0.02 0.05 0.01 0.02 -0.02 0.00 0.06 -0.01 0.01 -0.03 -0.01 0.02 0.07 0.02 0.01 -0.00 -0.05 0.04 0.01 -0.04 -0.14 -0.14 0.04 0.04 -0.01 0.05 -0.08 -0.02 -0.07 0.13 0.04 -0.01 -0.03 -0.23 0.09 -0.04 0.13 -0.01 0.02 0.02 -0.00 0.02 -0.01 -0.03 0.07 0.30 -0.08 0.06 -0.00 -0.17 -0.02 -0.01 0.06 0.03 -0.06 0.09 0.01 0.01 -0.09 -0.03 0.00 0.11 0.07 -0.06 -0.08 -0.13 -0.02 0.15 -0.03 0.00 0.01 0.00 0.00 -0.00 0.06 -0.03 0.09 -0.04 0.28 0.03 0.01 -0.05 0.08 0.01 0.16 0.07 -0.03 -0.18 0.02 -0.11 0.19 -0.03 -0.08 -0.01 0.01 -0.05 -0.09 -0.21 -0.08 -0.04 -0.04 -0.08 0.04 0.16 -0.01 -0.27 0.12 -0.00 -0.06 0.28 0.02 0.00 -0.17 0.14 -0.05 -0.14 0.13 -0.05 -0.02 -0.11 0.02 -0.06 -0.06 -0.01 -0.06 -0.00 -0.04 0.03 0.00 -0.03 0.02 -0.01 0.06 0.02 -0.10 0.04 -0.08 0.00 0.00 0.06 -0.03 -0.03 0.04 0.12 -0.08 0.15 0.07 -0.06 -0.04 0.08 0.02 0.10 -0.07 -0.01 -0.00 -0.04 -0.19 -0.08 -0.01 0.15 0.01 -0.01 -0.04 -0.00 -0.01 -0.00 0.00 0.07 0.25 -0.08 -0.07 -0.01 0.16 -0.08 -0.03 -0.07 0.03 -0.01 -0.03 -0.16 -0.05 0.03 0.03 0.02 -0.08 0.03 0.01 0.08 0.13 0.01 -0.14 0.02 -0.01 -0.01 -0.00 0.03 0.00 -0.01 0.03 -0.08 -0.04 -0.06 -0.00 -0.12 0.28 -0.05 -0.10 0.19 -0.06 0.02 0.08 -0.01 0.06 -0.13 0.01 0.06 -0.05 0.01 0.05 0.08 0.15 0.07 0.03 -0.01 0.06 -0.02 -0.14 0.21 -0.23 0.08 0.12 -0.04 -0.36 -0.23 0.01 0.03 0.06 0.01 -0.03 -0.13 -0.02 0.01 -0.03 -0.05 0.05 0.14 -0.08 0.06 -0.00 0.07 -0.03 -0.01 0.04 -0.02 0.00 -0.04 -0.02 0.02 -0.10 0.07 -0.04 -0.01 -0.02 0.02 0.02 0.04 -0.13 -0.12 0.01 -0.08 -0.16 0.10 0.00 0.01 -0.05 0.03 -0.00 -0.01 0.13 0.48 -0.13 0.05 -0.19 -0.00 0.00 0.00 0.01 0.00 0.03 0.06 0.03 0.34 -0.13 -0.04 0.00 0.01 -0.03 -0.06 0.01 0.07 -0.02 0.02 -0.06 -0.04 -0.00 0.01 0.01 -0.01 0.08 -0.03 0.03 0.06 -0.04 -0.04 -0.05 0.01 -0.02 -0.01 0.03 -0.00 -0.02 -0.02 0.06 0.04 -0.31 -0.04 0.02 -0.05 -0.08 -0.00 -0.22 -0.09 -0.00 -0.04 0.01 -0.02 0.04 0.01 -0.02 0.02 0.00 -0.03 -0.04 -0.05 -0.06 0.01 0.09 -0.05 0.03 0.16 -0.15 -0.25 0.10 0.14 -0.07 -0.13 -0.08 -0.01 -0.07 0.14 -0.01 -0.08 -0.11 -0.01 -0.01 -0.11 -0.01 0.00 0.01 -0.03 0.01 0.04 -0.06 0.02 0.01 0.08 0.02 0.02 0.05 0.01 0.00 -0.01 -0.00 0.23 0.02 0.16 -0.12 -0.09 -0.17 -0.02 -0.04 -0.04 -0.03 -0.01 0.04 -0.02 -0.00 -0.02 0.01 0.00 0.00 -0.01 0.07 0.01 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.07 -0.03 0.06 -0.03 0.13 -0.01 0.14 -0.14 -0.10 -0.15 -0.04 0.00 0.11 0.02 -0.02 0.02 -0.04 -0.06 -0.09 0.02 -0.17 0.17 0.07 0.14 -0.03 0.03 0.02 -0.04 0.02 -0.01 -0.01 0.02 0.01 -0.01 -0.01 0.00 -0.02 -0.00 0.00 -0.03 -0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.03 -0.02 -0.00 0.00 -0.01 0.01 0.03 -0.13 -0.02 -0.00 -0.18 -0.06 -0.22 0.01 0.07 0.28 0.04 -0.07 0.02 0.14 -0.04 0.03 0.14 -0.03 0.02 0.17 -0.05 0.02 -0.18 0.39 -0.10 -0.06 -0.30 -0.09 -0.09 -0.25 -0.07 -0.00 -0.00 -0.02 -0.03 -0.01 -0.14 0.14 0.02 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.03 0.03 0.01 0.06 -0.01 -0.00 0.01 -0.02 -0.00 0.00 0.01 0.00 0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.02 -0.02 0.04 0.21 0.06 -0.06 -0.29 0.07 0.11 -0.03 0.02 -0.05 0.00 0.01 -0.02 -0.03 0.00 0.02 0.06 -0.22 -0.10 0.32 -0.06 0.01 -0.02 -0.01 0.04 -0.01 0.02 0.02 -0.04 0.01 -0.09 -0.02 -0.04 0.12 -0.04 -0.02 -0.03 -0.04 0.00 0.03 -0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.02 0.02 0.03 0.02 -0.00 -0.03 0.02 -0.01 -0.05 -0.04 -0.03 -0.05 0.11 0.11 -0.30 -0.10 -0.04 0.60 -0.07 -0.00 -0.01 -0.05 0.02 -0.02 -0.05 0.02 -0.02 -0.08 0.02 -0.03 0.05 -0.16 0.08 0.02 0.07 0.06 0.01 0.20 0.04 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.02 0.01 0.00 0.04 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.03 -0.02 -0.01 -0.00 0.08 -0.00 0.00 0.01 0.02 -0.00 -0.09 0.00 0.00 -0.02 -0.01 0.00 0.03 0.02 -0.00 -0.10 0.01 0.00 -0.02 -0.01 -0.00 0.02 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.05 -0.02 -0.02 0.09 -0.03 -0.00 -0.04 -0.03 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.02 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.04 0.01 0.00 -0.03 -0.01 -0.01 -0.03 -0.07 -0.01 0.60 -0.03 -0.00 0.15 -0.09 -0.01 0.70 0.19 -0.04 -0.01 -0.07 0.04 -0.09 -0.08 0.01 -0.08 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.00 0.02 -0.02 0.00 -0.02 -0.05 0.04 0.01 0.07 -0.06 -0.08 -0.06 -0.01 0.18 0.03 -0.07 0.11 0.04 0.02 -0.07 -0.02 0.01 0.06 -0.02 0.16 0.03 0.03 -0.10 -0.12 -0.06 0.00 -0.00 -0.02 -0.00 -0.05 0.02 -0.00 0.01 0.00 -0.02 0.02 0.04 0.01 0.02 0.00 -0.00 -0.00 0.01 -0.02 0.02 -0.02 0.01 -0.00 -0.02 0.00 -0.01 0.00 -0.00 0.00 0.02 -0.08 0.12 0.06 0.01 -0.13 0.01 0.43 -0.15 0.09 -0.36 -0.08 -0.02 -0.00 -0.04 -0.06 0.12 -0.06 -0.10 0.34 -0.06 -0.02 0.04 -0.05 0.02 -0.11 -0.42 -0.00 0.06 -0.06 0.21 -0.11 0.00 0.03 -0.04 -0.08 0.08 -0.01 -0.07 0.06 -0.01 -0.15 -0.06 0.02 0.00 0.02 -0.00 0.02 -0.01 0.01 0.02 -0.02 0.05 -0.01 -0.01 -0.03 -0.01 -0.01 -0.02 -0.01 -0.03 -0.01 -0.01 -0.09 0.01 -0.06 0.07 -0.02 0.08 0.11 -0.05 -0.04 0.02 0.03 0.10 -0.09 -0.05 -0.09 0.00 -0.07 0.09 -0.04 0.07 0.01 -0.05 0.03 -0.04 -0.02 0.11 0.03 0.03 -0.07 -0.07 0.14 -0.04 0.00 0.09 0.01 0.05 -0.05 0.07 -0.02 -0.04 -0.00 -0.00 -0.13 0.04 -0.05 -0.04 0.04 -0.01 -0.04 -0.04 -0.01 0.08 -0.01 0.00 0.10 -0.01 0.03 -0.01 -0.05 -0.01 -0.11 -0.11 0.26 -0.02 0.34 -0.01 0.09 -0.16 0.05 0.08 -0.01 0.08 -0.00 0.02 -0.04 -0.03 0.01 -0.07 -0.06 0.31 -0.06 -0.07 0.01 -0.11 -0.05 -0.10 -0.31 -0.05 0.07 0.09 -0.05 0.04 0.07 -0.16 0.13 -0.09 -0.21 0.08 0.16 -0.05 -0.04 0.02 0.15 -0.09 0.01 -0.03 -0.03 -0.02 0.18 -0.09 0.00 0.07 -0.22 0.04 0.03 0.07 0.04 0.04 0.05 0.03 -0.01 -0.00 0.00 0.10 -0.04 0.07 -0.06 0.03 -0.07 0.12 -0.03 0.03 -0.01 0.01 0.05 -0.05 -0.04 -0.10 -0.01 -0.04 0.05 -0.01 0.04 0.01 -0.03 0.02 -0.05 -0.02 0.06 0.02 0.02 -0.04 -0.03 0.07 -0.00 -0.02 -0.02 -0.03 0.03 0.02 -0.12 -0.01 0.04 0.07 -0.02 0.02 -0.14 0.07 0.06 -0.04 0.01 -0.00 0.18 -0.01 -0.09 -0.04 -0.02 -0.09 0.00 -0.03 -0.00 0.11 0.00 -0.10 -0.07 0.20 -0.03 0.28 0.04 0.08 -0.26 0.08 0.04 0.10 0.09 0.00 0.04 -0.03 -0.00 -0.03 -0.04 -0.02 0.19 -0.04 -0.06 0.01 -0.09 -0.05 -0.06 -0.19 -0.05 0.06 0.10 -0.05 0.03 0.03 0.16 -0.07 0.19 0.07 -0.12 -0.38 -0.12 0.16 0.09 -0.16 0.10 -0.01 0.05 0.02 0.02 -0.19 0.10 0.01 -0.07 0.26 -0.04 -0.04 -0.02 -0.04 -0.05 -0.00 -0.03 0.00 0.00 0.00 0.02 -0.00 0.02 -0.03 0.01 -0.02 0.02 0.00 0.02 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.02 -0.00 -0.03 0.08 0.00 0.01 0.05 0.05 -0.04 -0.15 0.01 -0.01 0.02 0.00 0.04 -0.00 0.01 0.01 -0.05 -0.04 0.00 0.02 0.00 0.01 0.00 -0.02 -0.01 0.03 -0.01 0.06 0.01 0.02 -0.05 0.02 0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.02 -0.00 -0.01 -0.00 0.10 -0.04 -0.28 -0.13 -0.03 0.87 -0.01 0.04 0.00 0.15 -0.02 -0.01 -0.07 0.05 -0.08 -0.14 0.03 -0.10 -0.02 0.07 -0.02 -0.01 -0.02 -0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.04 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.04 -0.01 -0.07 0.06 -0.03 0.05 -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 0.01 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 -0.05 0.30 0.16 0.01 0.04 -0.02 0.02 0.04 -0.02 0.02 -0.06 0.00 -0.04 0.46 0.10 0.11 0.04 0.17 0.20 -0.39 0.12 -0.14 0.10 -0.06 -0.11 -0.08 -0.34 -0.11 0.26 0.36 -0.01 -0.01 -0.02 -0.00 -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 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.05 -0.00 0.04 -0.02 0.02 -0.02 0.01 -0.01 0.01 0.15 0.04 0.22 -0.08 -0.06 -0.18 -0.13 -0.02 -0.02 0.01 0.03 -0.04 0.09 0.00 -0.03 -0.09 -0.02 -0.04 0.03 -0.01 0.00 0.01 0.05 0.01 -0.08 0.02 -0.01 -0.04 0.01 0.03 0.01 0.03 -0.02 0.00 -0.01 -0.00 0.03 0.05 0.03 -0.01 0.00 -0.00 0.02 -0.07 -0.01 0.00 0.02 0.02 0.01 -0.00 0.00 0.00 -0.04 0.00 -0.06 -0.12 0.04 -0.01 0.55 -0.02 0.20 -0.20 0.04 0.18 -0.22 0.12 -0.01 -0.18 0.01 -0.07 0.11 -0.03 -0.07 -0.01 -0.00 0.02 -0.12 -0.14 -0.05 0.04 0.23 -0.02 -0.07 0.06 -0.23 -0.09 -0.25 -0.02 0.00 -0.00 0.07 0.03 -0.08 0.03 -0.06 0.10 0.01 -0.01 0.00 0.01 -0.00 0.00 0.02 -0.01 0.00 0.01 -0.05 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.03 0.00 0.02 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.03 0.02 0.07 -0.08 -0.00 -0.06 0.12 0.02 -0.09 -0.04 -0.05 0.09 0.04 -0.03 -0.00 0.08 0.01 -0.06 -0.04 0.04 0.04 0.01 -0.07 -0.04 -0.07 0.04 0.02 -0.05 0.01 -0.00 0.01 0.02 -0.01 0.00 -0.01 -0.00 0.04 0.04 0.01 -0.00 -0.00 0.00 0.02 -0.05 0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 0.01 -0.04 0.00 -0.06 -0.02 0.14 -0.06 -0.29 0.17 -0.12 -0.32 0.12 -0.18 0.54 0.02 0.02 0.08 -0.06 0.06 -0.19 -0.04 0.01 0.25 -0.06 -0.05 0.12 0.08 0.01 -0.08 -0.33 -0.01 0.09 0.00 -0.16 0.01 -0.10 0.00 -0.02 0.01 0.06 0.02 0.00 0.05 -0.05 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 0.00 0.01 -0.02 0.00 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.02 -0.02 0.01 -0.09 -0.05 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.05 0.09 -0.06 -0.06 -0.04 0.10 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.26 -0.15 -0.01 0.01 0.02 0.01 -0.08 0.02 0.00 0.04 0.02 -0.09 -0.12 0.12 -0.18 0.54 0.02 -0.13 -0.18 0.07 0.01 0.30 0.50 0.17 0.03 -0.19 0.09 0.08 -0.15 -0.03 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.01 -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 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.02 0.01 -0.01 -0.12 0.00 -0.02 -0.04 0.01 -0.01 0.01 -0.02 0.02 0.12 0.01 0.02 0.00 -0.01 -0.00 -0.01 0.01 -0.03 0.00 0.00 -0.01 -0.00 0.00 0.03 -0.00 0.01 -0.00 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 0.00 0.01 0.00 -0.00 -0.00 -0.03 0.01 -0.02 -0.07 -0.03 0.68 -0.03 -0.02 0.21 0.11 0.04 -0.65 -0.08 0.02 0.00 0.04 -0.01 0.04 0.00 0.01 0.03 0.00 -0.02 -0.00 0.01 -0.02 -0.00 0.00 -0.03 0.00 0.01 -0.00 0.00 0.07 -0.23 0.05 -0.00 0.03 0.00 -0.00 0.01 0.02 -0.02 -0.00 -0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.02 0.06 0.00 -0.02 -0.05 0.04 0.02 0.08 -0.04 0.03 0.12 -0.02 -0.05 0.05 -0.01 -0.02 -0.20 0.03 -0.03 -0.19 -0.07 0.06 0.05 0.01 -0.05 0.30 -0.02 -0.01 0.00 0.01 -0.00 -0.02 0.01 -0.01 -0.02 0.01 -0.01 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.07 -0.00 -0.05 -0.26 0.31 0.19 -0.08 0.19 0.14 -0.08 -0.22 -0.22 0.03 -0.14 0.00 -0.24 -0.03 -0.01 0.32 -0.17 0.03 -0.02 0.22 0.00 -0.06 0.18 -0.00 -0.03 0.20 -0.04 -0.00 0.00 -0.00 0.00 -0.03 0.00 0.01 -0.00 0.01 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.00 -0.03 0.02 -0.01 0.03 0.02 0.00 -0.01 0.12 -0.00 -0.04 -0.03 -0.01 0.02 -0.00 0.01 0.01 -0.02 -0.01 -0.01 -0.15 -0.00 -0.01 0.03 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.00 0.03 0.05 0.01 0.01 -0.08 0.19 0.01 0.07 0.01 -0.02 0.09 0.27 0.02 0.67 0.02 0.05 -0.52 0.30 -0.02 0.01 -0.01 0.01 -0.00 0.03 0.01 0.00 0.04 -0.00 -0.00 -0.01 -0.01 -0.00 0.06 0.00 -0.01 0.00 -0.01 0.04 -0.03 -0.02 0.07 0.01 0.08 0.05 -0.03 0.04 0.03 -0.01 0.00 -0.07 0.06 0.03 -0.05 0.00 -0.07 -0.02 0.00 0.00 -0.02 -0.00 0.00 -0.09 -0.02 -0.12 -0.14 0.01 0.01 -0.00 -0.05 -0.00 0.01 0.04 -0.01 0.09 0.07 -0.00 0.00 -0.00 0.06 0.02 -0.11 -0.02 -0.00 -0.00 -0.01 0.00 0.03 -0.06 0.02 -0.05 0.01 0.12 0.08 -0.13 -0.05 0.34 0.04 0.13 -0.29 0.08 0.09 0.05 0.13 0.01 0.09 -0.02 0.04 -0.07 0.01 0.04 0.02 -0.00 0.03 0.03 0.09 0.05 0.02 0.00 0.03 -0.02 -0.09 0.48 -0.02 0.30 0.01 0.02 0.04 0.05 0.11 0.09 -0.08 -0.14 0.06 -0.30 0.03 -0.01 -0.01 -0.06 0.12 0.18 -0.04 0.14 -0.01 0.02 -0.01 0.01 -0.04 -0.01 -0.00 -0.04 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.02 0.00 0.02 0.02 -0.01 0.02 0.01 0.00 0.00 -0.02 0.02 0.01 -0.02 -0.00 -0.02 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 -0.00 -0.04 -0.04 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.02 0.01 0.05 0.02 0.00 -0.14 0.00 -0.02 0.04 -0.00 -0.00 0.00 -0.04 0.01 0.14 0.00 -0.01 0.00 0.04 0.03 -0.04 -0.02 0.10 0.02 0.04 -0.10 0.03 0.03 0.03 0.04 0.00 0.03 -0.01 0.01 -0.02 0.01 0.01 0.00 -0.00 0.01 0.01 0.03 0.02 0.00 -0.00 0.01 -0.00 -0.03 0.15 -0.01 0.09 0.01 -0.01 0.02 0.07 -0.00 -0.17 0.03 -0.02 -0.18 0.65 -0.16 0.00 -0.26 0.16 -0.32 -0.26 -0.02 -0.32 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.02 0.00 -0.00 0.00 -0.00 0.06 -0.01 0.01 0.07 -0.01 0.00 -0.09 0.15 -0.01 -0.10 0.07 0.03 -0.06 -0.00 0.04 0.07 -0.08 0.01 0.08 -0.04 -0.03 0.04 -0.01 -0.05 -0.02 -0.02 -0.06 -0.03 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.34 -0.13 0.41 -0.00 -0.35 0.07 -0.11 -0.07 0.02 -0.10 0.11 -0.05 -0.05 -0.30 0.11 -0.15 0.31 -0.01 -0.12 -0.22 0.05 -0.07 -0.04 -0.21 -0.09 -0.05 -0.09 -0.05 0.03 0.11 0.24 -0.03 0.09 -0.00 0.02 0.02 0.01 0.03 0.00 -0.03 -0.03 -0.01 -0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.02 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.08 -0.01 0.01 -0.01 0.01 -0.04 -0.02 0.02 0.03 -0.03 -0.05 0.02 0.15 0.06 0.03 0.12 0.08 -0.04 0.02 0.02 -0.05 -0.09 -0.07 -0.00 -0.07 0.00 -0.05 -0.08 -0.05 -0.00 0.00 0.00 0.07 0.01 -0.00 0.01 0.09 0.00 -0.02 -0.06 -0.00 -0.04 -0.06 -0.01 -0.01 0.00 0.01 0.00 0.07 -0.00 0.01 0.03 0.02 0.01 -0.01 -0.01 -0.02 0.06 -0.02 0.12 0.32 -0.02 -0.04 0.30 0.07 0.17 -0.41 0.09 0.13 -0.05 0.17 0.01 -0.00 0.01 0.06 -0.11 0.05 0.07 -0.10 0.02 0.02 0.16 0.26 0.14 -0.02 -0.25 0.08 0.02 -0.28 0.06 -0.05 -0.03 0.00 -0.08 -0.01 0.08 -0.18 0.03 0.17 0.12 0.03 -0.03 0.02 0.00 0.05 -0.01 0.02 0.01 0.00 0.02 0.03 -0.08 0.02 -0.01 0.05 0.02 0.01 0.06 -0.01 -0.01 0.01 0.00 0.01 0.13 0.02 -0.01 0.02 -0.01 -0.01 -0.03 -0.00 -0.01 0.00 -0.00 -0.01 0.15 -0.08 0.04 0.07 0.03 0.03 -0.05 -0.02 -0.03 -0.07 0.05 -0.02 -0.04 0.03 -0.04 -0.06 -0.01 0.07 0.02 0.06 0.02 -0.05 -0.01 -0.00 -0.14 0.00 0.04 0.09 0.01 0.00 0.06 0.01 0.01 0.00 -0.01 -0.03 -0.05 -0.00 -0.03 -0.07 -0.04 -0.01 0.00 0.01 0.04 -0.08 0.03 0.08 0.18 -0.03 0.05 0.06 -0.10 0.09 0.10 -0.05 0.08 -0.31 0.00 0.03 0.02 -0.04 0.07 -0.20 0.01 0.06 0.05 -0.01 0.01 0.14 0.24 0.11 -0.01 -0.19 0.06 0.04 -0.19 -0.27 0.03 -0.14 -0.07 0.21 -0.02 -0.24 0.30 -0.06 -0.30 -0.13 -0.06 0.03 -0.01 -0.00 -0.03 0.01 -0.02 -0.02 0.01 -0.02 -0.06 0.17 -0.04 0.01 -0.08 -0.04 -0.03 -0.10 0.01 0.01 0.02 0.01 -0.00 -0.07 -0.01 0.01 -0.01 0.00 0.06 -0.05 0.01 -0.01 0.03 0.05 0.01 0.20 -0.16 0.03 -0.08 -0.09 -0.00 -0.08 0.02 -0.02 -0.08 0.09 -0.06 0.03 0.07 0.01 -0.00 0.06 -0.05 -0.00 -0.06 -0.08 0.02 0.01 -0.01 0.08 -0.01 -0.01 -0.03 -0.01 0.03 -0.01 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 0.02 0.06 0.03 -0.00 0.01 -0.00 -0.03 0.04 -0.02 -0.01 -0.21 -0.07 0.09 -0.06 -0.16 0.05 0.28 -0.10 0.06 -0.42 -0.07 0.06 0.09 -0.15 0.06 -0.32 -0.08 0.02 0.32 -0.07 -0.03 0.06 0.07 -0.01 -0.01 -0.03 -0.02 0.08 0.13 0.17 0.06 0.13 0.11 -0.15 0.03 0.21 -0.16 0.04 0.08 0.02 0.01 -0.01 -0.01 -0.00 -0.02 0.00 0.00 0.03 -0.01 -0.00 0.04 -0.13 0.03 -0.00 0.05 0.03 0.02 0.06 -0.00 0.00 0.01 0.03 -0.00 -0.05 -0.00 0.00 -0.02 0.00 0.06 -0.01 -0.03 -0.07 0.04 0.08 -0.03 -0.14 -0.07 -0.01 0.15 0.08 0.11 -0.03 -0.09 -0.01 0.05 0.05 0.06 -0.05 -0.02 -0.05 -0.06 -0.04 -0.01 0.00 -0.01 -0.10 -0.01 0.00 -0.03 0.04 -0.01 0.04 -0.01 0.00 0.06 0.04 0.01 -0.01 -0.01 -0.00 -0.03 -0.01 -0.00 0.02 0.06 0.02 0.00 0.01 0.00 -0.03 0.02 -0.03 -0.03 0.32 0.17 0.04 -0.03 -0.08 -0.05 0.27 -0.06 -0.05 -0.06 -0.07 -0.02 -0.17 0.08 -0.02 0.11 0.02 -0.02 -0.17 0.04 0.00 0.09 0.17 0.11 -0.01 -0.19 0.06 0.02 -0.25 -0.07 0.07 0.08 0.32 -0.28 0.05 0.21 -0.10 0.04 -0.28 -0.09 -0.05 0.00 -0.03 -0.00 -0.04 0.00 0.00 0.04 -0.02 -0.00 0.05 -0.17 0.04 0.01 0.04 0.05 0.03 0.08 0.01 0.00 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.09 -0.01 0.10 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.00 0.02 -0.02 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.21 0.03 -0.23 -0.07 0.61 -0.23 0.29 -0.60 -0.02 0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.03 -0.01 -0.01 -0.03 0.02 0.03 -0.01 -0.04 -0.04 -0.00 0.05 0.01 0.03 -0.01 -0.03 -0.00 0.01 0.03 0.02 -0.02 0.00 -0.02 -0.03 -0.00 -0.02 -0.02 -0.01 -0.03 0.06 0.01 0.03 -0.02 0.00 -0.11 -0.00 -0.02 -0.01 -0.04 -0.00 0.06 0.00 0.01 0.11 -0.03 0.02 -0.01 -0.01 0.00 -0.03 -0.01 -0.01 0.01 0.00 0.01 -0.02 0.10 0.05 0.02 -0.02 -0.05 -0.02 0.12 -0.03 -0.02 -0.05 -0.03 0.00 -0.07 0.01 -0.01 0.00 -0.01 -0.02 -0.02 0.00 -0.01 0.05 0.07 0.04 -0.01 -0.09 0.02 0.03 -0.07 0.03 0.03 0.06 -0.48 0.33 -0.07 -0.11 0.05 -0.02 0.68 0.13 0.12 -0.03 0.03 -0.00 0.01 0.01 -0.02 -0.08 0.03 -0.01 -0.02 0.08 -0.02 -0.01 -0.02 -0.03 -0.01 -0.05 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 0.01 0.01 -0.00 -0.00 -0.09 0.04 -0.06 0.13 -0.08 0.14 -0.00 -0.00 0.00 0.04 -0.01 0.01 -0.08 0.02 -0.10 -0.08 0.06 -0.07 -0.00 0.00 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.08 -0.14 0.21 0.01 -0.17 0.02 -0.08 0.02 -0.00 -0.06 0.06 -0.06 -0.08 0.46 0.08 0.12 0.06 0.20 0.20 -0.26 0.06 0.18 -0.17 0.03 0.10 0.12 0.34 0.06 -0.28 -0.33 0.01 -0.01 -0.00 -0.02 0.01 -0.00 0.02 -0.01 0.00 0.05 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.05 0.01 0.00 0.03 0.01 0.02 0.02 0.00 0.01 0.00 0.01 -0.07 -0.01 -0.06 0.03 0.00 0.03 0.01 0.00 0.00 -0.01 0.00 0.01 -0.02 -0.01 -0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.02 0.00 0.01 0.00 0.01 0.02 -0.00 0.03 -0.01 0.00 -0.01 -0.01 -0.00 -0.08 0.01 -0.01 -0.02 0.02 -0.00 -0.00 -0.05 -0.00 0.04 -0.01 0.01 0.10 0.04 0.09 0.01 0.01 0.02 0.00 -0.03 -0.01 -0.02 0.03 -0.01 -0.02 0.00 -0.02 0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 0.01 0.03 0.02 0.01 -0.01 0.01 -0.00 -0.03 0.07 0.00 0.04 0.14 -0.11 0.02 0.16 -0.17 0.03 0.09 0.05 0.01 0.04 -0.01 0.00 0.06 -0.01 0.01 0.07 -0.03 0.01 -0.18 0.65 -0.09 -0.07 -0.36 -0.23 -0.22 -0.34 -0.07 -0.02 0.00 -0.01 -0.04 -0.07 -0.05 0.01 -0.02 0.01 -0.04 -0.02 -0.04 -0.04 0.02 0.03 0.19 0.07 0.02 -0.10 -0.07 0.09 0.06 -0.05 -0.04 -0.08 -0.03 -0.01 0.03 0.02 -0.06 0.02 0.05 -0.04 0.03 0.01 0.03 -0.03 -0.00 -0.01 -0.01 0.02 -0.00 -0.04 -0.02 -0.00 0.02 0.02 0.01 0.14 -0.03 0.02 0.02 -0.03 0.00 0.04 0.10 0.04 -0.06 0.01 -0.01 0.03 0.04 0.03 -0.15 -0.10 0.18 0.01 0.29 -0.07 0.21 -0.03 -0.02 0.14 -0.18 0.12 -0.07 -0.01 0.13 -0.04 0.23 0.04 -0.06 -0.18 0.04 0.04 -0.14 -0.19 -0.10 0.01 0.16 -0.04 -0.13 0.06 -0.14 0.05 -0.02 -0.05 -0.01 -0.02 -0.22 0.25 -0.05 -0.24 -0.11 -0.04 -0.07 0.02 -0.01 -0.11 0.01 -0.02 -0.11 0.05 -0.02 -0.04 0.18 -0.02 -0.05 -0.17 -0.10 -0.08 -0.19 -0.05 0.00 -0.00 -0.00 -0.04 -0.08 -0.05 0.01 -0.02 0.01 0.02 0.01 0.02 0.05 -0.02 -0.03 -0.15 -0.04 0.01 0.07 0.04 -0.07 -0.04 0.04 0.03 0.06 0.02 -0.01 -0.03 -0.01 0.04 -0.01 -0.03 0.03 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.03 -0.00 -0.04 -0.04 -0.01 0.00 0.02 0.00 0.18 -0.04 0.03 0.01 -0.02 -0.00 0.04 0.11 0.04 -0.07 0.01 -0.01 0.02 0.04 0.02 0.11 0.04 -0.15 -0.02 -0.21 0.09 -0.16 -0.04 0.03 -0.09 0.16 -0.07 0.06 0.03 -0.10 0.03 -0.16 -0.03 0.05 0.14 -0.03 -0.03 0.09 0.12 0.06 -0.01 -0.10 0.02 0.09 -0.02 0.02 -0.04 -0.04 -0.05 -0.04 -0.01 -0.35 0.37 -0.07 -0.41 -0.15 -0.06 -0.10 0.03 -0.01 -0.13 0.01 -0.02 -0.14 0.07 -0.02 -0.02 0.14 -0.02 -0.04 -0.14 -0.08 -0.06 -0.17 -0.05 -0.03 0.02 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.06 -0.11 -0.13 0.07 0.12 -0.19 0.15 0.26 0.02 -0.02 -0.04 0.25 -0.14 -0.21 0.05 -0.04 -0.10 -0.04 -0.00 0.01 0.05 0.01 0.01 -0.00 -0.01 -0.03 0.00 -0.04 0.02 0.02 -0.02 0.00 0.00 0.03 -0.00 -0.01 0.01 -0.00 -0.03 -0.01 -0.01 0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.15 -0.18 -0.31 -0.11 0.02 0.30 -0.11 -0.37 0.09 -0.00 0.33 0.11 0.02 0.11 -0.04 0.03 -0.08 0.02 0.04 0.08 -0.02 -0.03 -0.00 -0.10 -0.06 -0.02 0.02 -0.03 0.04 0.16 -0.03 0.11 0.17 -0.06 0.09 -0.00 0.03 -0.03 0.01 0.05 0.02 0.01 0.01 -0.02 0.00 0.00 -0.00 0.00 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.05 0.00 0.04 0.02 0.02 0.01 -0.00 0.01 -0.00 -0.00 0.01 0.03 -0.13 0.02 -0.02 0.03 -0.02 -0.04 0.01 0.00 0.01 0.02 -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 -0.00 -0.02 -0.00 -0.01 -0.12 -0.00 -0.08 0.17 -0.02 0.04 0.09 0.04 0.02 0.02 -0.04 -0.00 -0.08 -0.02 -0.02 0.02 -0.02 0.00 -0.03 0.04 -0.01 -0.03 -0.06 -0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.06 0.00 0.13 0.02 0.02 -0.04 0.02 0.08 -0.02 -0.01 -0.03 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.02 0.01 0.02 -0.01 0.03 0.02 0.01 0.01 0.01 -0.02 -0.05 0.64 0.00 0.37 -0.00 -0.02 0.01 -0.39 0.26 -0.06 -0.27 -0.02 -0.04 -0.02 -0.00 0.00 -0.04 -0.01 0.00 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.01 0.05 0.02 0.02 0.04 0.01 0.02 -0.00 0.01 -0.03 -0.08 -0.04 -0.03 -0.02 -0.02 -0.02 0.02 0.03 -0.02 -0.01 -0.03 0.01 -0.03 -0.02 0.00 0.00 -0.00 -0.02 0.01 0.02 0.00 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.03 -0.03 0.03 -0.26 -0.00 0.07 -0.17 0.01 0.05 0.14 0.01 -0.02 0.05 -0.00 -0.14 -0.03 -0.02 0.02 0.06 0.01 0.08 0.27 0.08 0.04 0.01 0.01 -0.01 0.04 -0.01 -0.02 0.03 0.04 0.01 -0.03 -0.02 -0.01 0.04 -0.00 -0.01 -0.02 -0.02 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.02 0.01 0.00 -0.00 0.01 -0.00 -0.02 0.20 -0.03 0.09 -0.41 0.60 -0.06 0.14 -0.11 0.01 -0.00 0.07 -0.00 0.07 -0.08 -0.00 0.04 -0.00 0.03 0.15 -0.08 0.01 0.06 -0.14 0.04 -0.04 -0.15 -0.01 -0.00 -0.15 -0.05 0.01 0.00 0.01 0.00 0.02 0.01 0.02 -0.00 0.02 -0.01 0.01 0.01 -0.02 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 -0.01 0.01 -0.01 0.03 -0.09 0.00 -0.12 0.08 -0.02 0.01 -0.02 -0.00 0.01 0.01 0.00 0.10 0.03 0.02 0.03 0.03 0.00 -0.01 -0.07 -0.03 -0.03 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 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 0.08 -0.01 0.05 -0.42 0.39 -0.06 0.49 -0.42 0.09 -0.37 -0.09 -0.06 -0.05 0.08 0.00 -0.01 0.01 -0.03 -0.11 0.06 -0.00 -0.03 0.08 -0.02 0.01 0.03 -0.01 -0.02 0.04 0.01 0.01 0.00 0.01 -0.02 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 -0.00 -0.00 -0.05 0.01 -0.01 0.01 0.01 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.03 -0.02 -0.01 0.10 0.25 0.02 -0.22 -0.23 -0.04 0.20 -0.15 0.03 0.16 -0.20 0.03 0.01 0.35 0.01 -0.23 -0.08 -0.04 0.06 0.16 0.04 -0.00 -0.07 -0.00 -0.00 0.01 -0.00 -0.05 -0.04 0.09 -0.00 0.01 0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.02 0.00 0.01 -0.00 0.00 0.01 0.00 0.02 0.02 0.01 0.01 0.00 0.00 -0.01 0.20 -0.00 0.12 -0.25 0.28 -0.00 -0.09 0.03 -0.05 0.12 0.02 0.01 0.11 0.26 0.01 0.27 0.03 -0.04 -0.13 0.09 0.08 0.05 -0.12 0.03 -0.02 -0.11 0.00 0.01 -0.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 0.02 0.00 0.06 0.06 -0.06 -0.13 0.01 -0.01 -0.01 -0.00 0.01 -0.02 0.01 -0.00 0.04 -0.06 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.35 0.37 0.73 -0.03 -0.03 0.04 0.02 -0.07 0.02 0.05 -0.01 0.03 0.07 -0.00 -0.08 -0.08 0.00 -0.09 -0.03 0.15 -0.03 0.10 0.03 0.21 0.12 0.08 0.18 -0.04 0.00 -0.05 -0.08 0.01 -0.03 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.05 0.04 -0.04 -0.04 -0.13 0.04 -0.00 -0.00 0.01 0.02 -0.02 0.01 0.06 -0.00 0.02 0.01 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.26 0.82 -0.27 0.03 0.05 -0.01 -0.08 0.04 -0.02 -0.09 0.08 -0.06 0.02 -0.03 0.07 -0.11 0.17 -0.07 -0.17 0.11 -0.04 0.05 -0.03 -0.01 -0.07 -0.00 0.09 -0.04 -0.09 0.06 0.06 -0.00 0.02 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.02 0.00 0.01 0.01 0.00 0.01 0.01 -0.02 -0.02 -0.00 -0.00 -0.00 0.02 -0.09 0.00 -0.01 0.06 0.00 -0.02 0.03 0.07 -0.01 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.06 0.11 0.05 0.40 0.08 -0.15 0.30 -0.18 -0.17 0.33 0.05 -0.04 -0.27 -0.05 0.13 -0.23 -0.05 0.06 -0.21 0.12 -0.05 -0.21 -0.23 0.02 0.03 -0.28 0.15 -0.12 -0.27 -0.09 0.01 -0.04 -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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.02 -0.01 -0.00 0.00 0.03 0.00 -0.01 0.00 0.00 0.02 -0.09 0.01 0.00 -0.07 0.00 0.00 -0.03 -0.05 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.18 0.00 0.06 0.44 0.07 -0.17 0.33 -0.19 -0.19 0.30 0.02 0.05 0.31 0.03 -0.14 0.21 0.04 -0.03 0.22 -0.13 0.06 0.14 0.19 0.06 0.00 0.23 -0.13 0.15 0.22 -0.03 0.00 -0.02 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.02 0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.13 0.02 -0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 0.00 -0.09 -0.03 -0.01 0.61 -0.10 -0.15 0.43 0.01 0.30 0.37 -0.21 0.33 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.03 -0.06 -0.13 -0.01 -0.11 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.03 0.02 0.03 0.01 -0.02 -0.01 -0.02 0.06 -0.00 0.00 -0.02 -0.04 0.14 0.04 0.15 -0.04 0.01 -0.01 -0.08 -0.01 -0.01 -0.03 0.04 -0.00 0.04 0.03 0.01 0.02 -0.06 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.02 0.02 -0.00 0.00 -0.00 0.00 -0.03 0.00 0.05 0.00 0.15 0.07 -0.10 0.05 -0.04 -0.04 0.06 -0.01 -0.05 -0.30 -0.04 0.15 -0.20 0.01 0.10 -0.19 0.11 0.06 0.10 0.16 0.03 0.00 0.18 -0.11 0.08 0.17 0.59 -0.06 0.24 0.12 -0.10 0.00 0.09 -0.01 0.01 0.21 0.05 0.04 0.02 -0.10 -0.02 0.02 -0.00 0.06 0.03 -0.04 -0.03 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.05 -0.00 -0.04 0.00 0.00 0.01 0.01 0.01 -0.02 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.09 0.01 -0.01 0.03 0.09 0.05 0.01 0.05 -0.01 0.00 -0.00 -0.03 -0.00 -0.01 -0.01 0.01 -0.00 0.01 0.01 0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.05 -0.04 0.07 -0.01 -0.01 0.00 0.04 0.00 -0.01 0.02 0.01 0.04 0.10 0.40 0.01 -0.22 0.29 0.01 -0.08 0.31 -0.17 -0.12 -0.21 -0.30 -0.02 0.01 -0.35 0.21 -0.12 -0.34 0.22 -0.02 0.09 0.05 -0.04 0.00 0.03 -0.00 0.01 0.08 0.02 0.01 0.02 -0.04 -0.01 0.01 -0.00 0.03 0.02 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.02 0.01 -0.02 0.02 -0.02 -0.03 -0.03 -0.00 -0.03 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.00 0.06 -0.05 0.07 -0.01 0.17 -0.09 0.03 -0.11 -0.00 -0.01 -0.14 -0.01 -0.02 -0.02 0.18 -0.00 0.14 -0.06 0.02 0.00 0.02 0.02 0.02 -0.08 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.01 -0.00 0.03 0.02 -0.02 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.14 -0.01 0.05 0.08 -0.20 0.00 0.22 -0.37 0.04 -0.49 -0.25 -0.09 -0.00 0.41 0.05 -0.00 0.06 -0.26 -0.05 0.07 0.14 0.02 -0.07 0.03 -0.01 -0.06 0.02 0.01 -0.06 -0.02 0.00 -0.00 -0.00 -0.01 -0.05 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.00 0.00 -0.01 0.00 -0.00 -0.10 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.03 0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.06 0.01 -0.01 0.01 -0.04 0.01 -0.00 0.03 -0.26 0.57 -0.22 0.13 0.48 0.07 0.07 0.50 0.18 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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 -0.00 -0.04 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.02 0.01 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.48 -0.04 0.53 0.17 0.40 0.23 -0.30 -0.34 -0.17 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.02 -0.00 -0.03 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.02 0.01 -0.04 0.01 0.00 -0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.00 -0.26 0.01 0.60 -0.43 0.14 -0.07 0.35 -0.30 0.14 -0.07 0.01 0.13 0.06 -0.04 0.02 -0.11 0.03 -0.02 -0.14 0.05 -0.10 0.04 0.01 0.11 0.06 0.16 -0.10 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.04 0.00 -0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.02 -0.01 -0.01 -0.01 0.01 -0.02 -0.01 -0.02 -0.00 -0.02 -0.01 0.01 0.02 0.03 0.03 0.02 -0.01 -0.03 0.04 -0.00 -0.04 -0.01 0.02 0.01 -0.01 -0.02 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.03 -0.04 0.00 -0.01 -0.01 -0.00 0.24 -0.19 -0.07 -0.39 -0.35 0.45 -0.30 0.46 0.31 -0.01 0.01 -0.01 0.01 -0.00 0.02 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.02 -0.01 -0.01 0.03 -0.01 0.01 -0.00 0.00 -0.01 0.00 -0.03 -0.00 -0.01 0.02 -0.00 0.01 0.02 0.00 0.02 -0.00 0.00 0.00 -0.02 -0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.02 0.04 0.06 0.06 0.13 -0.07 -0.13 -0.11 0.07 -0.12 -0.08 -0.20 -0.02 -0.15 -0.05 0.07 0.13 0.22 0.26 0.13 -0.06 -0.28 0.30 -0.06 -0.31 -0.10 0.17 0.13 -0.03 -0.21 -0.01 0.00 -0.00 0.02 0.00 0.00 -0.03 0.04 -0.00 0.09 0.03 0.01 0.10 0.37 0.01 -0.16 0.05 -0.22 0.13 0.00 0.26 0.00 -0.03 0.03 -0.01 0.02 -0.04 -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.02 0.02 -0.00 0.01 0.02 0.00 0.02 -0.00 0.00 0.01 -0.03 -0.00 -0.03 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.03 -0.01 0.00 0.00 0.00 0.01 -0.03 -0.04 -0.04 -0.09 0.05 0.09 0.08 -0.05 0.09 0.05 0.14 0.02 0.11 0.02 -0.06 -0.09 -0.17 -0.18 -0.10 0.04 0.20 -0.22 0.04 0.22 0.07 -0.13 -0.09 0.02 0.15 0.01 -0.00 0.00 0.04 -0.00 0.00 -0.03 0.05 0.00 0.13 0.04 0.02 0.18 0.49 0.01 -0.29 0.01 -0.23 0.13 0.09 0.42 0.03 -0.03 -0.00 -0.02 -0.01 -0.05 -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 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 0.02 0.01 -0.03 -0.01 -0.03 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.02 0.09 0.00 -0.19 0.12 -0.06 0.03 -0.12 0.09 -0.06 -0.20 0.04 0.39 0.19 -0.18 0.07 -0.32 0.09 -0.07 -0.18 -0.01 -0.20 0.24 0.07 0.20 0.08 0.41 -0.13 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.01 0.06 -0.08 0.02 -0.05 0.10 -0.25 -0.25 0.10 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.03 -0.00 0.00 0.01 0.04 0.00 -0.10 0.06 -0.03 0.02 -0.06 0.04 -0.03 -0.08 0.01 0.17 0.08 -0.07 0.03 -0.13 0.04 -0.03 -0.08 -0.00 -0.08 0.10 0.03 0.08 0.04 0.17 -0.06 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.01 0.06 0.00 -0.02 0.01 -0.04 0.02 -0.01 0.03 -0.13 0.18 -0.04 0.11 -0.23 0.58 0.57 -0.23 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.02 -0.02 -0.03 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.06 -0.01 -0.06 -0.16 0.05 0.22 0.17 -0.11 0.14 0.15 0.27 -0.19 -0.25 0.24 0.28 0.11 0.48 0.21 0.34 -0.17 0.14 -0.09 0.09 0.01 0.01 -0.13 -0.06 -0.13 0.11 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.02 0.02 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.02 0.01 0.02 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 0.07 -0.05 -0.04 -0.19 -0.01 0.31 0.18 -0.12 0.14 0.20 0.30 0.16 -0.07 -0.35 -0.16 0.16 -0.05 0.30 -0.10 0.07 -0.22 0.06 -0.20 0.14 0.03 0.26 0.09 0.37 -0.13 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -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 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.01 0.00 -0.03 -0.01 0.01 0.00 -0.00 -0.00 0.02 0.02 0.01 -0.02 -0.01 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 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.05 0.04 0.14 -0.01 -0.26 -0.18 0.12 -0.11 -0.19 -0.27 0.04 -0.15 -0.16 -0.01 0.20 0.18 0.33 0.09 -0.03 0.15 -0.34 -0.12 0.47 0.15 -0.09 -0.06 0.28 0.11 -0.01 0.00 -0.00 -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 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.03 0.03 0.05 0.01 0.01 0.03 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.05 -0.03 -0.09 0.21 0.01 0.03 -0.09 -0.15 -0.02 -0.13 0.14 -0.02 -0.08 0.11 -0.01 0.15 -0.01 0.03 -0.06 -0.09 -0.01 0.02 0.05 0.00 -0.03 0.00 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.03 -0.00 0.01 0.00 -0.02 -0.02 -0.01 -0.02 0.01 0.01 0.02 0.03 0.02 0.02 -0.01 0.01 -0.02 -0.00 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.07 0.02 -0.01 0.45 -0.40 0.07 0.40 -0.33 0.07 0.38 0.02 0.06 -0.05 -0.04 -0.01 -0.01 -0.01 0.03 -0.08 0.02 -0.04 -0.02 0.02 -0.00 0.01 0.04 -0.01 -0.02 0.02 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.01 -0.00 -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 0.05 0.02 -0.00 -0.11 -0.32 -0.02 0.16 0.22 0.03 -0.00 0.21 0.00 -0.00 -0.18 -0.00 0.14 0.33 0.03 -0.22 -0.19 -0.04 -0.01 -0.05 0.00 -0.02 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 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 0.04 -0.00 0.01 0.29 -0.05 0.04 -0.21 0.00 -0.03 0.42 -0.02 0.07 -0.06 -0.18 -0.01 0.22 -0.04 0.16 -0.21 0.06 -0.18 0.01 -0.00 0.00 -0.00 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.03 -0.02 0.03 -0.05 0.04 0.06 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.05 -0.04 -0.08 0.14 -0.08 0.02 -0.23 0.05 -0.04 -0.25 0.16 -0.04 0.26 -0.20 0.04 -0.21 0.11 -0.04 0.29 -0.01 0.05 -0.02 0.02 -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 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 0.03 0.01 0.03 0.21 -0.30 0.03 -0.33 0.36 -0.07 -0.35 -0.20 -0.06 0.05 -0.03 -0.01 0.04 -0.03 0.05 -0.01 0.03 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.01 0.02 0.00 0.00 0.00 0.01 -0.00 0.01 -0.29 0.19 0.31 -0.10 0.03 0.02 -0.02 0.02 0.01 0.01 -0.00 0.00 0.03 -0.03 -0.06 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.53 -0.30 -0.40 -0.20 0.10 0.00 0.07 -0.01 0.01 0.06 -0.07 0.01 -0.04 0.04 -0.01 0.02 -0.03 0.00 -0.03 0.01 -0.01 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.04 0.03 -0.04 0.01 -0.03 -0.00 -0.00 0.01 -0.01 -0.02 0.02 -0.00 -0.01 -0.02 0.01 0.02 -0.01 0.02 0.01 0.01 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 0.29 0.04 0.21 -0.12 0.10 -0.01 0.07 -0.06 0.01 0.02 0.03 0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.04 0.00 -0.03 -0.36 0.17 -0.30 -0.02 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.02 -0.02 0.03 -0.00 0.01 -0.09 0.06 -0.03 -0.02 -0.00 -0.00 0.02 0.01 0.00 -0.01 -0.02 -0.00 0.02 0.00 0.00 0.56 -0.29 0.46 0.00 0.00 -0.00 0.01 -0.03 0.01 0.00 0.00 -0.00 0.01 0.02 -0.02 -0.00 0.00 0.00 -0.03 0.02 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.02 0.02 0.02 -0.04 0.00 -0.01 0.05 -0.01 -0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.09 0.22 -0.06 0.07 0.13 0.04 0.04 0.13 0.08 -0.33 -0.04 -0.33 0.00 0.00 0.00 0.01 -0.00 0.01 -0.02 0.01 0.01 -0.05 -0.01 -0.05 -0.03 -0.00 -0.03 0.01 0.01 -0.00 0.55 0.07 0.55 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.03 -0.01 -0.06 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 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.00 0.04 0.06 -0.04 0.09 -0.05 0.00 0.01 0.03 0.02 0.00 -0.03 -0.00 -0.01 -0.01 0.03 -0.03 0.02 -0.00 0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.34 -0.01 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 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.06 0.01 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.77 -0.11 0.42 -0.05 0.01 -0.02 0.00 0.01 0.02 0.02 0.01 -0.02 -0.30 0.05 -0.15 0.12 0.07 -0.08 -0.00 0.07 0.15 -0.09 -0.08 0.07 -0.03 0.11 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 -0.03 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.01 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 -0.00 0.01 -0.00 0.11 -0.06 0.76 0.10 -0.39 -0.20 0.27 0.32 -0.17 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.00 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.04 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 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.34 0.05 -0.19 0.04 -0.00 0.02 -0.00 -0.01 -0.02 -0.02 -0.01 0.01 -0.42 0.07 -0.22 0.37 0.22 -0.27 -0.01 0.21 0.47 -0.12 -0.10 0.09 -0.04 0.11 -0.01 0.18 -0.01 0.09 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.02 0.00 0.01 -0.01 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.07 -0.01 0.03 -0.00 -0.04 -0.08 -0.05 -0.03 0.05 0.18 -0.03 0.09 -0.12 -0.07 0.09 0.01 -0.08 -0.18 -0.41 -0.33 0.32 -0.14 0.44 -0.02 0.47 -0.02 0.24 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.06 -0.01 0.03 0.59 -0.08 0.26 -0.02 -0.20 -0.42 -0.40 -0.23 0.35 -0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 0.07 0.05 -0.05 0.01 -0.03 0.00 -0.09 0.00 -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 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.28 -0.20 -0.27 0.58 -0.10 -0.17 -0.10 -0.18 0.62 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 -0.08 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 0.11 -0.05 0.61 -0.13 0.49 0.22 -0.33 -0.39 0.18 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.06 -0.01 0.04 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.00 0.01 0.00 0.02 0.03 -0.03 -0.02 0.02 0.23 -0.04 0.13 0.44 0.28 -0.32 -0.00 -0.13 -0.28 -0.32 -0.26 0.26 0.11 -0.29 0.01 -0.29 0.02 -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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.08 0.03 0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.01 0.02 -0.00 0.01 0.00 0.01 0.02 -0.01 -0.00 0.00 0.30 -0.05 0.14 -0.27 -0.17 0.18 -0.02 0.29 0.63 -0.26 -0.21 0.21 0.08 -0.20 0.01 -0.22 0.02 -0.12 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 0.00 0.01 -0.07 -0.02 -0.03 -0.02 -0.04 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.11 -0.02 0.06 -0.04 0.01 -0.02 -0.00 -0.02 -0.05 0.01 0.01 -0.01 0.56 -0.11 0.29 0.30 0.19 -0.23 -0.02 0.12 0.26 0.25 0.20 -0.20 -0.12 0.35 -0.01 0.10 -0.01 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.01 -0.00 0.02 0.01 0.00 0.01 0.07 -0.05 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.12 0.02 -0.07 -0.01 0.00 -0.00 -0.01 -0.06 -0.12 0.11 0.06 -0.09 -0.11 0.02 -0.05 -0.04 -0.03 0.04 0.00 -0.03 -0.05 -0.04 -0.06 0.05 -0.19 0.63 -0.02 -0.60 0.01 -0.32 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.09 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.01 -0.02 -0.00 -0.17 0.60 0.30 0.44 0.50 -0.26 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.02 0.02 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.00 0.02 0.56 -0.08 0.26 -0.02 -0.04 -0.07 0.52 0.31 -0.46 0.02 -0.00 0.01 0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.08 0.00 0.07 -0.00 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 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.00 0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 0.68 -0.12 -0.18 0.09 0.19 -0.66 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.09 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.38 -0.06 0.15 0.04 0.39 0.77 -0.16 -0.10 0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.02 -0.02 -0.05 0.16 -0.01 -0.06 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.02 -0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.58 0.41 0.55 0.30 -0.06 -0.10 -0.06 -0.08 0.27 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.35 -0.38 -0.05 0.00 0.00 0.00 -0.23 0.82 -0.02 -0.00 -0.00 0.00 -0.01 0.02 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 -0.05 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.04 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.58 0.61 0.08 0.08 0.09 0.01 -0.14 0.49 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.06 -0.06 -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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.07 -0.01 0.66 0.72 0.11 0.02 -0.06 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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.02 -0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.41 0.32 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 288.14739 0.99987 -0.00786 -0.01404 0.0078 0.99996 -0.00401 0.01407 0.0039 0.99989 asymmetric 1 0.02221 0.01008 0.00829 0.46277 0.20993 0.17281 885737.3 11.20 47.51 59.03 65.96 96.82 104.99 144.52 154.12 182.31 213.91 227.61 240.87 288.64 304.91 317.14 331.72 339.85 358.66 411.70 422.48 455.23 480.53 517.45 527.11 544.43 574.08 608.97 641.34 694.26 737.52 790.83 814.30 859.87 889.48 906.86 990.45 1040.00 1045.32 1089.92 1110.97 1147.14 1164.65 1216.12 1243.81 1286.19 1315.88 1330.46 1362.04 1368.55 1389.55 1399.14 1414.27 1428.35 1477.51 1520.09 1528.45 1532.21 1579.89 1607.72 1638.66 1680.59 1688.06 1696.09 1723.91 1739.14 1760.76 1769.83 1815.18 1840.57 1860.75 1886.52 1914.15 1945.86 1956.70 2017.13 2025.64 2039.22 2046.63 2047.58 2057.93 2115.49 2134.01 2137.37 2147.81 2148.30 2148.45 2152.92 2153.92 2170.33 2176.53 2191.67 2213.48 2310.63 2370.10 2433.09 2546.52 2601.25 4348.34 4349.25 4349.88 4358.87 4372.53 4382.73 4430.32 4440.69 4446.43 4449.06 4465.99 4466.74 4476.51 4489.25 4499.17 4540.02 4547.73 4574.50 4585.73 5228.05 0.337360 0.358941 0.359885 0.284704 -956.931668 -956.910086 -956.909142 -956.984323 225.239 79.828 158.232 0.000 0.000 0.000 0.889 2.981 42.873 0.889 2.981 34.214 223.461 73.867 81.145 1 0.593 1.987 8.509 2 0.594 1.983 5.639 3 0.594 1.981 5.209 4 0.595 1.979 4.989 5 0.598 1.970 4.231 6 0.599 1.967 4.072 7 0.604 1.949 3.446 8 0.606 1.944 3.320 9 0.611 1.926 2.995 10 0.618 1.904 2.689 11 0.621 1.893 2.571 12 0.624 1.883 2.464 13 0.638 1.839 2.127 14 0.643 1.823 2.027 15 0.647 1.810 1.956 16 0.652 1.794 1.875 17 0.655 1.785 1.831 18 0.662 1.764 1.736 19 0.684 1.699 1.497 20 0.688 1.686 1.453 21 0.703 1.642 1.329 22 0.716 1.608 1.241 23 0.734 1.555 1.124 24 0.739 1.541 1.095 25 0.749 1.516 1.046 26 0.765 1.472 0.966 27 0.785 1.420 0.881 28 0.805 1.370 0.809 29 0.839 1.289 0.703 30 0.868 1.222 0.627 31 0.905 1.140 0.545 32 0.922 1.105 0.512 33 0.956 1.037 0.454 34 0.978 0.993 0.419 0.165878e+25 24.219787 55.768122 0.128812e+10 9.109956 20.976448 0.100000e+01 0.000000 0.000000 0.192254e+09 8.283876 19.074329 0.669816e+07 6.825956 15.717344 ONF56 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.3021 -0.5437 1.4320 5.5189 -120.8364 -110.1290 -134.4000 -2.4377 -8.8156 2.7597 0.9521 11.6595 -12.6116 -2.4377 -8.8156 2.7597 94.5591 48.5805 -3.7514 35.8936 8.4362 46.6348 23.5082 4.3394 4.5351 4.4979 -5788.9240 -2051.3158 -935.5651 -52.0331 -106.3260 92.1789 48.0844 -26.2199 10.0992 -1267.5506 -1263.5008 -543.6838 -45.1130 18.0340 8.8626 (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)|(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)|(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)|(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)|(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)|(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)|(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) 0 1-A -957.2690271 5.426E-9 3.152E-6 0.3373595 0.358941 -956.9100862 -956.909142 -956.984323 0.4807866,7.7787917,-8.2595783,-0.31931,-6.5344748,4.9950517 C01 [X(C16H20N2O3)] 2.0680311 -0.4298651 0.502967 -1.1171379 0.0754919 -0.5014417 0.0859051 -0.3610741 0.0227989 -0.6419901 0.0445924 -0.9930494 -0.6274288 -0.3710357 -0.3263341 -0.3119079 -1.4038671 -0.3807619 -0.3881566 -0.5653135 -0.620145 -0.8655205 0.0736648 -0.3132084 0.1939037 -0.8600908 0.1455056 -0.3295522 -0.0146014 -0.584217 -0.9203357 0.096375 0.1363305 0.0329436 -0.4202911 -0.0562311 0.1081121 -0.048265 -0.6801767 -1.3840061 0.1520138 -0.5615615 0.4146453 -0.3227475 0.032858 0.109987 -0.1280678 -0.6005056 0.4103879 -0.0255371 -0.0268099 0.0168995 0.1274831 -0.1406096 0.0302969 -0.0938397 -0.1256823 0.1603276 0.0225763 -0.0941864 0.0735661 0.123363 -0.0410085 -0.1085103 0.0232382 0.1934837 1.7436622 -0.2547011 0.7185588 -0.4320545 0.2724606 -0.0070315 0.3065029 0.0739274 0.97609 -0.0348264 -0.034381 0.0506825 -0.0466419 0.0165447 0.0780015 -0.0401407 0.0256769 0.0557494 0.073003 -0.0139326 0.0260172 0.0059966 -0.052454 -0.0101073 0.0435798 -0.0197815 0.0294833 0.0655444 -0.0021177 0.0462057 -0.0425077 0.0554685 -0.0072076 -0.0041274 -0.0254804 -0.0266399 1.1700922 -0.1391343 0.2091252 -0.2122947 0.2474659 0.1460907 0.2528447 0.1003041 1.0416028 -0.0251101 0.0931352 -0.0419574 0.0042711 0.031744 0.0002812 -0.1355845 0.109852 -0.0622801 0.0565043 0.0465453 -0.0020653 0.1330747 -0.4028389 -0.0433093 0.0629013 -0.0802411 -0.0414717 -0.089945 0.0975428 0.0402101 0.0820249 -0.028094 0.0136326 -0.0190063 0.0238785 -0.0969823 -0.1793603 0.0297071 -0.0014797 0.2255147 -0.0374997 0.0602178 0.028611 -0.0235427 -0.0689062 0.3734589 -0.1766681 0.0731124 -0.2645984 -0.029481 -0.0411313 0.142641 -0.0602044 -0.0556319 -0.1239765 0.0069855 -0.0047452 -0.0271846 0.0984601 0.0207097 -0.0118526 0.0270943 -0.1123697 1.1314716 0.2411599 0.6539788 -0.049696 1.8278923 0.197031 0.6935798 0.5369454 0.9013641 -0.0099219 0.035036 -0.0250961 0.0646272 0.0896196 0.013297 -0.1562008 0.058804 0.0964675 0.2657424 -0.011225 0.006086 0.1333907 0.8801191 0.1486908 0.0172187 0.0956874 0.3003893 -0.1143449 0.0462375 -0.0236477 0.0288918 -0.0008867 0.0268748 -0.0477538 0.0127899 -0.0296583 -0.1020914 0.0763237 -0.0386845 0.057926 0.0266858 -0.0296471 -0.05167 0.0095538 0.0616447 0.0841281 0.0123856 -0.0252263 0.0214297 0.0253221 -0.0504365 -0.001502 -0.0806347 -0.0858132 0.0334086 -0.0712431 0.0647447 -0.0502995 0.0122235 0.024491 0.076847 0.0436131 0.0143224 -0.0601824 0.0840557 -0.0737993 0.0404014 0.0258189 -0.0174091 -0.0854508 0.0164237 0.0323907 -0.0829624 -0.1061217 0.0898531 -0.0764214 -0.0159425 0.0503196 0.1024231 0.0790284 0.0210206 0.0745041 0.0263682 0.013671 0.0335493 0.0183716 -0.0461049 0.0088212 -0.0784204 -0.1206578 -0.0632982 -0.0793886 0.1052615 -0.1151259 -0.0029664 0.0840326 0.089889 0.0366012 -0.0263691 0.0647724 0.0440278 -0.004776 0.0681848 -0.1437004 -0.0677533 -0.0155154 -0.0238794 0.0351462 -0.0426049 0.0248148 -0.1102319 0.0410459 0.0499893 0.0076601 -0.0513142 -0.0023774 0.0297112 0.1764348 0.0358258 -0.0028554 0.0137951 0.2708213 -0.0033233 0.0184425 -0.0164165 0.1992953 -0.0030479 -0.0714347 -0.0330477 -0.0807596 0.0279027 -0.0198732 -0.0137787 -0.0264491 0.1111388 -0.0064151 -0.0643043 -0.0209027 -0.0576291 0.0552904 -0.0140818 -0.0390347 0.0022438 0.1119629 0.0466057 0.050939 0.002149 0.058653 -0.0814151 -0.0254492 -0.0044349 -0.0250647 0.1192852 -0.0396845 0.0481646 -0.0075755 0.052604 0.0617106 0.034393 -0.0573252 0.0550051 -0.0842045 0.004202 0.0065787 -0.0184329 0.0699555 -0.0621501 -0.0772247 0.052266 -0.1035474 0.0225422 -0.0571188 -0.0154828 0.0133661 -0.1063515 -0.0352713 0.0395849 0.0548417 0.026022 0.0682915 -0.002352 -0.0717232 -0.0903343 -0.0174942 0.0048145 -0.0275755 -0.084554 -0.0731437 0.0068271 -0.0513826 0.0726793 0.0722981 -0.0366394 -0.0299872 -0.0192861 0.0391638 -0.0038629 0.0517849 0.0688042 0.0097963 0.026749 -0.0255934 -0.058814 -0.020908 0.0484858 0.091852 -0.0652329 257.002407|-19.4002447|217.0673588|6.9227083|11.8778546|164.4372095 -0.000001262 0.000001471 -0.000003838 0.000004533 -0.000006030 0.000000119 0.000002527 -0.000003533 0.000000434 -0.000005114 -0.000002445 0.000011490 0.000005004 0.000001323 -0.000001693 0.000007054 0.000008125 -0.000003137 0.000000097 -0.000002997 0.000002236 -0.000001674 -0.000008784 0.000004299 0.000000351 -0.000006522 0.000002492 -0.000000062 0.000004247 0.000001910 0.000001926 -0.000001371 -0.000004517 -0.000004673 0.000005838 -0.000009779 0.000004198 -0.000001139 0.000002002 0.000003106 -0.000001224 -0.000000170 -0.000003416 0.000001159 0.000000140 -0.000002425 0.000001637 -0.000000326 0.000004298 0.000000309 0.000001117 0.000001146 -0.000003153 0.000000094 -0.000008248 0.000012854 0.000000742 -0.000003527 0.000002078 0.000000461 -0.000005150 0.000003673 -0.000002568 -0.000000148 0.000000506 -0.000000372 -0.000001084 0.000000293 -0.000000835 -0.000000239 0.000000848 0.000000466 -0.000000036 0.000001473 -0.000002091 0.000000186 -0.000001613 0.000000312 -0.000001200 -0.000002609 0.000000283 0.000000737 -0.000001201 -0.000001743 -0.000000859 -0.000001634 0.000000725 -0.000001439 0.000001153 -0.000000039 0.000001128 -0.000000144 0.000001173 -0.000000670 -0.000002970 -0.000001296 0.000000262 -0.000000385 0.000000315 0.000000576 0.000001065 0.000000559 0.000000495 -0.000000002 0.000000185 0.000000789 0.000000451 0.000001560 0.000001020 -0.000000473 -0.000000414 0.000001586 0.000001533 -0.000000177 0.000000120 -0.000000904 0.000000342 -0.000000952 -0.000000709 0.000000477 0.000001039 -0.000000193 -0.000000938 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3763,.0639,-2.1838;2.4667,2.2288,.8643;.8114,2.1111,-.658;-1.1647,.0629,.632;-1.2111,-.4932,-1.5564;-2.512,.399,.129;-3.6194,-.3813,.8879;-2.4963,-.0138,-1.3576;-2.6928,1.9258,.1855;-3.4288,-1.8996,.7526;-3.7005,.0174,2.3669;-.4957,-.3843,-.3585;.921,-.8119,-.2951;1.948,.1019,-.0119;1.2398,-2.1608,-.4512;3.2583,-.3551,.145;3.5824,-1.7058,-.0038;2.5536,-2.6002,-.313;1.6529,1.5671,.0186;4.9992,-2.1859,.1917;2.2706,3.6555,.9275;-4.5579,-.1091,.3908;-3.6722,2.1982,-.2145;-2.6048,2.2764,1.2137;-1.916,2.4161,-.4051;-2.4854,-2.2109,1.2102;-4.2397,-2.4299,1.2585;-3.4296,-2.2192,-.2929;-4.4616,-.5823,2.874;-3.9701,1.0671,2.4984;-2.7419,-.1548,2.8626;-.8217,-.7159,-2.4602;.4492,-2.8732,-.6591;4.0363,.3641,.371;2.779,-3.6542,-.4372;5.1769,-2.4425,1.2415;5.2043,-3.0781,-.4041;5.7233,-1.4165,-.085;2.9992,4.0163,1.65;1.2553,3.8819,1.2563;2.4388,4.1066,-.0519; Gaussian 16 1-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3763,.0639,-2.1838;2.4667,2.2288,.8643;.8114,2.1111,-.658;-1.1647,.0629,.632;-1.2111,-.4932,-1.5564;-2.512,.399,.129;-3.6194,-.3813,.8879;-2.4963,-.0138,-1.3576;-2.6928,1.9258,.1855;-3.4288,-1.8996,.7526;-3.7005,.0174,2.3669;-.4957,-.3843,-.3585;.921,-.8119,-.2951;1.948,.1019,-.0119;1.2398,-2.1608,-.4512;3.2583,-.3551,.145;3.5824,-1.7058,-.0038;2.5536,-2.6002,-.313;1.6529,1.5671,.0186;4.9992,-2.1859,.1917;2.2706,3.6555,.9275;-4.5579,-.1091,.3908;-3.6722,2.1982,-.2145;-2.6048,2.2764,1.2137;-1.916,2.4161,-.4051;-2.4854,-2.2109,1.2102;-4.2397,-2.4299,1.2585;-3.4297,-2.2192,-.2929;-4.4616,-.5823,2.874;-3.9701,1.0671,2.4984;-2.7419,-.1548,2.8626;-.8217,-.7159,-2.4602;.4492,-2.8732,-.6591;4.0363,.3641,.371;2.779,-3.6542,-.4372;5.1769,-2.4425,1.2415;5.2043,-3.0781,-.4041;5.7233,-1.4165,-.085;2.9992,4.0163,1.65;1.2553,3.8819,1.2563;2.4388,4.1066,-.0519; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolino #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction imazamethabenz_methyl_m CONF56 gas 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 32 33 34 35 36 37 38 39 40 41 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 603 A 582 A 582 916 603 77 77 1721.7041647809 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0441967036 0.000000 6.936769 0.000000 4.904616 2.252031 0.000000 3.580537 4.234660 3.124749 0.000000 2.322124 5.176396 3.417484 2.258421 0.000000 2.491733 5.355002 3.820346 1.476872 2.308466 0.000000 3.113357 6.622238 5.313518 2.507651 3.433231 1.552815 0.000000 1.209581 5.881987 3.993120 2.395335 1.386083 1.542945 2.537440 0.000000 3.089888 5.212761 3.608994 2.450438 3.328781 1.538418 2.583529 2.486253 0.000000 3.532860 7.198154 6.004530 2.998683 3.496847 2.552107 1.536174 2.979750 3.936600 0.000000 4.562482 6.721828 5.821572 3.072823 4.674402 2.562468 1.533913 3.914413 3.068511 2.520827 0.000000 3.439559 4.135137 2.832796 1.276183 1.399476 2.217346 3.363182 2.266700 3.234074 3.483382 4.226105 0.000000 4.775031 3.602750 2.947478 2.444360 2.497602 3.664896 4.711666 3.666581 4.559063 4.604477 5.397428 1.481173 0.000000 5.750416 2.358088 2.397138 3.178870 3.566439 4.472114 5.660326 4.645060 4.990237 5.787983 6.129594 2.515612 1.403625 0.000000 5.409240 4.743883 4.298241 3.449621 3.163733 4.578801 5.345256 4.403407 5.707058 4.828410 6.090433 2.485290 1.394777 2.411270 0.000000 7.043981 2.796531 3.565735 4.469360 4.784302 5.819412 6.917788 5.957397 6.373351 6.890036 7.314462 3.787776 2.421938 1.396556 2.773167 0.000000 7.503897 4.180839 4.761830 5.105662 5.182539 6.449017 7.376701 6.453452 7.252730 7.054591 7.850555 4.301564 2.822632 2.437005 2.427977 1.396974 0.000000 6.764724 4.971209 5.034905 4.670231 4.489816 5.903486 6.668717 5.769118 6.946753 6.116850 7.290283 3.769721 2.421513 2.785432 1.392212 2.397272 1.397877 0.000000 5.692330 1.347413 1.209068 3.252329 3.863582 4.326949 5.687602 4.648519 4.363613 6.195175 6.047731 2.926824 2.508752 1.494937 3.779979 2.507638 3.799379 4.276379 0.000000 8.991908 5.133810 6.060061 6.576089 6.670008 7.943806 8.832989 7.956244 8.721966 8.451508 9.234268 5.808863 4.330934 3.819076 3.814053 2.526825 1.508654 2.531255 5.031218 0.000000 7.380186 1.441439 2.651140 4.979485 5.958429 5.840806 7.140688 6.434947 5.308263 7.960701 7.138768 5.062178 4.824310 3.689760 6.065638 4.203838 5.597399 6.383729 2.359886 6.489103 0.000000 2.838075 7.418535 5.904034 3.406065 3.891001 2.124228 1.096337 2.704763 2.767915 2.147467 2.157761 4.139833 5.566137 6.521746 6.207371 7.823928 8.304786 7.567960 6.443702 9.782149 7.815888 0.000000 2.919067 6.233044 4.506271 3.400544 3.886025 2.168206 2.805733 2.753559 1.092473 4.217438 3.379390 4.096333 5.492224 6.001867 6.571505 7.394645 8.241059 7.860983 5.367389 9.725171 6.224521 2.544509 0.000000 4.127176 5.083769 3.898853 2.704059 4.157698 2.170168 2.863395 3.445024 1.089907 4.281433 2.762874 3.741571 4.923975 5.192203 6.102612 6.514861 7.458027 7.260963 4.478773 8.875710 5.074799 3.190965 1.784717 0.000000 3.290758 4.566716 2.756036 2.679119 3.207228 2.170010 3.521196 2.673623 1.092035 4.717428 4.076995 3.140310 4.298944 4.521190 5.559623 5.895444 6.883608 6.719336 3.692885 8.328001 4.565065 3.740225 1.779845 1.764767 0.000000 4.181839 6.659924 5.747910 2.692353 3.496923 2.825134 2.176476 3.379480 4.266718 1.093689 2.789222 3.123530 3.978265 5.147633 4.079269 6.129414 6.208718 5.278633 5.728769 7.553676 7.557399 3.063303 4.783135 4.488898 4.933805 0.000000 4.337558 8.175327 7.057432 4.007813 4.565887 3.501998 2.172330 3.964988 4.745161 1.093049 2.740229 4.562593 5.627115 6.805328 5.746407 7.859141 7.956402 6.974845 7.227484 9.303537 8.917767 2.498076 4.889958 4.982447 5.625940 1.768577 0.000000 2.964956 7.476045 6.072115 3.345676 3.081806 2.806318 2.192776 2.620776 4.237054 1.093343 3.485756 3.461121 4.572553 5.863949 4.672525 6.956726 7.036809 5.995431 6.345475 8.442854 8.276125 2.488544 4.424766 4.812579 4.877465 1.775103 1.762832 0.000000 5.213203 7.742237 6.894448 4.038827 5.495648 3.506984 2.166637 4.700204 4.080100 2.702258 1.093627 5.120202 6.250412 7.062532 6.786355 8.191205 8.616837 7.965041 7.082357 9.963557 8.189622 2.529776 4.230082 3.791628 5.120814 3.053803 2.464349 3.711343 0.000000 4.825159 6.741847 5.823687 3.515992 5.146646 2.861174 2.194230 4.267178 2.778167 3.484577 1.091750 4.726513 5.937782 6.500589 6.801707 7.733803 8.425627 7.994537 6.165833 9.815918 6.936426 2.484136 2.954293 2.230864 3.803813 3.822213 3.720177 4.345539 1.761629 0.000000 5.090842 6.066679 5.491339 2.740506 4.688832 2.798561 2.172693 4.229654 3.390880 2.822750 1.092876 3.933628 4.880511 5.506718 5.555113 6.590004 7.114694 6.641298 5.510675 8.437047 6.586990 3.067503 3.983821 2.940843 4.239036 2.650207 3.161140 3.833015 1.772015 1.770433 0.000000 2.685201 5.526082 3.729135 3.207146 1.008971 3.286943 4.375891 2.124374 4.180765 4.303477 5.667937 2.152506 2.780952 3.786093 3.220787 4.854308 5.139097 4.421961 4.180899 6.563301 6.336233 4.738635 4.654049 5.062681 3.902622 4.298167 5.333742 3.709153 6.459082 6.138301 5.686251 0.000000 5.058246 5.693984 4.997366 3.590565 3.037443 4.482984 5.015579 4.164161 5.797852 4.240247 5.893412 2.679158 2.145630 3.393577 1.084348 3.857290 3.407266 2.150095 4.650154 4.679616 6.961168 5.814889 6.549995 6.273166 5.799595 3.541886 5.085244 3.950600 6.468892 6.710157 5.474918 3.084287 0.000000 7.846289 2.486797 3.809338 5.216281 5.655518 6.552867 7.709278 6.768036 6.910417 7.810139 7.997683 4.650970 3.395923 2.139240 3.856366 1.083315 2.151955 3.384283 2.692985 2.731684 3.776281 8.607226 7.945303 6.962169 6.343776 7.061769 8.779968 7.928130 8.909264 8.314047 7.240296 5.725616 4.940509 0.000000 7.400161 6.033380 6.095779 5.523834 5.212011 6.689070 7.308001 6.475227 7.839886 6.559786 7.957885 4.628417 3.398661 3.870365 2.144644 3.384251 2.151726 1.084987 5.360767 2.735136 7.453340 8.190383 8.713085 8.178206 7.674165 5.701861 7.323699 6.373930 8.533833 8.744107 7.322197 5.068603 2.467191 4.287338 0.000000 9.548432 5.413733 6.587948 6.845758 7.241161 8.272296 9.041479 8.457693 9.062481 8.636661 9.280440 6.242986 4.809674 4.297736 4.294807 3.039809 2.153114 3.053371 5.476412 1.095202 6.762397 10.046594 10.097651 9.100765 8.753684 7.665919 9.416675 8.745133 9.951142 9.877522 8.400521 7.257220 5.113616 3.152114 3.168082 0.000000 9.309484 6.104633 6.803644 7.176603 7.011893 8.480317 9.316633 8.342599 9.367495 8.789624 9.826335 6.304674 4.847097 4.568308 4.069498 3.391620 2.161937 2.694960 5.862501 1.092253 7.464599 10.234579 10.327991 9.605747 8.993629 7.905086 9.611165 8.677290 10.507336 10.477487 9.075190 6.791197 4.766349 3.716683 2.493061 1.764338 0.000000 9.455101 4.979441 6.074447 7.081453 7.148610 8.435723 9.450060 8.434983 9.059455 9.203016 9.842570 6.309991 4.844772 4.069811 4.559533 2.693592 2.161812 3.391125 5.047842 1.092191 6.218585 10.374841 10.067651 9.202249 8.552798 8.348157 10.104146 9.190408 10.638730 10.334627 9.052042 6.997805 5.501571 2.494868 3.714886 1.763768 1.769737 0.000000 8.424178 2.023836 3.707257 5.831283 6.952888 6.765436 7.982844 7.449025 6.238098 8.781945 7.835288 5.967697 5.604853 4.380567 6.757715 4.630434 5.984734 6.915898 3.236177 6.677880 1.087700 8.701376 7.161669 5.884112 5.562708 8.309808 9.701023 9.164433 8.849209 7.615051 7.199251 7.340780 7.700597 4.006215 7.952467 6.828238 7.707907 6.320283 0.000000 6.918325 2.086554 2.645306 4.564084 5.756325 5.252941 6.486400 6.006937 4.534362 7.457897 6.381851 4.886060 4.954852 4.046778 6.279291 4.816512 6.182640 6.794514 2.654862 7.208909 1.090971 7.104231 5.410947 4.180909 3.868615 7.149643 8.368682 7.846803 7.431599 6.063890 5.903647 6.266264 7.067478 4.570814 7.872882 7.441541 8.172665 7.059360 1.792835 0.000000 7.396236 2.089551 2.645439 5.459369 6.061623 6.187826 7.597806 6.560346 5.580835 8.435096 7.762961 5.373394 5.153170 4.034874 6.393523 4.540594 5.924000 6.712850 2.659294 6.797865 1.091295 8.180569 6.404129 5.512676 4.684804 8.108765 9.436458 8.632092 8.840927 7.537682 7.313949 6.299845 7.283175 4.091079 7.777823 7.215291 7.706597 6.425994 1.794023 1.778331 0.000000 C16H20N2O3 C1 1 C1 1 C1 1 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3382,-.4935,-2.2153;2.3151,2.4736,.4968;.6883,2.0271,-.9952;-1.1633,.0597,.5747;-1.1483,-.8085,-1.5101;-2.524,.2291,.0261;-3.5862,-.5056,.8882;-2.4645,-.3922,-1.385;-2.8053,1.7324,-.1395;-3.2948,-2.0113,.9746;-3.7101,.0963,2.2936;-.4552,-.4803,-.3395;.9857,-.7989,-.2124;1.9472,.2126,-.0629;1.3942,-2.1319,-.1709;3.2829,-.1285,.1608;3.6967,-1.4619,.2098;2.7324,-2.4582,.0317;1.5561,1.6439,-.2455;5.1396,-1.8133,.4751;2.025,3.8781,.3523;-4.5349,-.3712,.3553;-3.796,1.8784,-.5764;-2.7522,2.233,.8272;-2.0559,2.183,-.7936;-2.3382,-2.1897,1.474;-4.0748,-2.5159,1.5506;-3.2628,-2.478,-.0136;-4.4358,-.4732,2.8811;-4.0496,1.1337,2.2712;-2.7479,.0618,2.8107;-.735,-1.1331,-2.3714;.6545,-2.9179,-.2747;4.0093,.666,.2814;3.0279,-3.5017,.0618;5.3219,-1.9031,1.5513;5.4096,-2.7665,.0152;5.8147,-1.0454,.091;2.7201,4.3873,1.0161;.9933,4.0815,.6431;2.1742,4.1933,-.6818; 0.4627698 0.2099322 0.1728146 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. One-electron integral symmetry used in STVInt NBasis= 582 RedAO= T EigKep= 1.52D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 5.17D-07 NBFU= 579 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= 600 600 600 600 600 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.269027147193 -957.269027147319 -0.000000000126 -957.269027147 2 9.532655051877e+02 -5.674671453107e+03 2.042476952694e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245984324 LenY= 4245620112 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. PT1060.500S Wed Jun 1 20:03:10 2022 -19.18131 -19.12238 -19.10434 -14.35956 -14.29699 -10.31575 -10.27780 -10.25917 -10.23430 -10.21356 -10.21304 -10.21228 -10.20869 -10.20196 -10.19866 -10.19845 -10.18594 -10.17694 -10.15867 -10.15307 -10.15074 -1.12218 -1.05844 -1.03431 -0.99813 -0.89258 -0.88415 -0.82004 -0.79972 -0.79073 -0.74843 -0.73748 -0.71878 -0.68444 -0.66658 -0.65191 -0.62757 -0.61129 -0.60679 -0.57469 -0.55806 -0.54482 -0.52060 -0.50819 -0.49731 -0.49449 -0.48396 -0.47428 -0.46323 -0.45211 -0.44523 -0.44281 -0.43586 -0.43485 -0.42741 -0.41794 -0.40987 -0.40382 -0.39230 -0.38419 -0.38205 -0.37944 -0.37823 -0.37393 -0.37303 -0.36717 -0.34928 -0.33724 -0.33412 -0.32835 -0.32127 -0.30285 -0.29696 -0.28094 -0.27174 -0.25378 -0.24739 -0.06516 -0.04384 -0.01348 -0.00649 0.00318 0.00648 0.01602 0.01752 0.01886 0.02278 0.02942 0.03142 0.03728 0.03881 0.04112 0.04674 0.04828 0.05084 0.05966 0.06099 0.06517 0.06779 0.07625 0.07808 0.08080 0.08850 0.08990 0.09259 0.09293 0.10018 0.10228 0.10714 0.10843 0.11050 0.11689 0.12217 0.12243 0.12911 0.13118 0.13675 0.13880 0.14039 0.14147 0.14483 0.15014 0.15359 0.15805 0.16280 0.16414 0.16802 0.17121 0.17482 0.17724 0.18369 0.18464 0.18546 0.18712 0.19294 0.19509 0.19713 0.20175 0.20481 0.20944 0.21061 0.21425 0.21669 0.22109 0.22339 0.22463 0.22652 0.22797 0.23637 0.23888 0.24358 0.24512 0.24840 0.25166 0.25329 0.25503 0.25713 0.25982 0.26354 0.26635 0.27090 0.27280 0.27601 0.27904 0.28311 0.28979 0.29150 0.29407 0.29712 0.30206 0.30302 0.30567 0.31224 0.31471 0.31694 0.32469 0.32896 0.33329 0.33552 0.34217 0.34638 0.34864 0.35470 0.35909 0.36461 0.36886 0.37352 0.37777 0.38302 0.39048 0.39424 0.39681 0.39892 0.40758 0.40868 0.41413 0.42246 0.42672 0.43335 0.44560 0.44758 0.45437 0.45600 0.46406 0.47213 0.48874 0.49188 0.49711 0.50219 0.51609 0.52619 0.53157 0.53613 0.53894 0.54280 0.54363 0.55336 0.56098 0.56185 0.56855 0.58119 0.58517 0.59452 0.59688 0.60216 0.61025 0.61294 0.62191 0.63264 0.63779 0.63947 0.64066 0.64641 0.65949 0.66482 0.67009 0.67191 0.67606 0.68099 0.68545 0.68656 0.69168 0.69493 0.69763 0.70214 0.70494 0.70812 0.71346 0.71918 0.72296 0.72912 0.73388 0.74606 0.74936 0.75675 0.76376 0.77216 0.77343 0.77967 0.78633 0.78905 0.80129 0.80749 0.81368 0.82456 0.83645 0.84440 0.85258 0.85836 0.86667 0.88132 0.89490 0.90446 0.91195 0.92830 0.93253 0.93879 0.94289 0.94992 0.95951 0.96656 0.97815 0.99065 0.99435 1.00135 1.01378 1.02260 1.02545 1.04882 1.05367 1.05645 1.06722 1.08205 1.09216 1.09532 1.11243 1.12058 1.13766 1.14786 1.15468 1.18291 1.18848 1.19027 1.20172 1.20614 1.21460 1.23426 1.24410 1.25654 1.25869 1.27847 1.29753 1.30274 1.31104 1.31684 1.33657 1.34280 1.34945 1.35341 1.35583 1.37970 1.38970 1.40275 1.40902 1.42781 1.43954 1.45109 1.46662 1.47120 1.48098 1.48656 1.48982 1.49774 1.50208 1.51027 1.51825 1.52513 1.54121 1.54546 1.54830 1.55271 1.55996 1.56311 1.56815 1.58199 1.58354 1.59161 1.59406 1.60038 1.61049 1.61378 1.62196 1.62625 1.63915 1.65421 1.65580 1.66447 1.66552 1.67786 1.68646 1.69273 1.70091 1.70500 1.70674 1.71423 1.72353 1.72994 1.75075 1.75792 1.76386 1.77612 1.78484 1.79043 1.79382 1.80330 1.81063 1.82173 1.83493 1.83966 1.84989 1.86396 1.86764 1.88655 1.90381 1.91159 1.91318 1.93064 1.93910 1.94706 1.95387 1.97400 1.97838 1.98511 2.00376 2.01141 2.01204 2.02721 2.04999 2.05685 2.06234 2.07206 2.08418 2.09568 2.11043 2.11385 2.12418 2.13135 2.16199 2.16354 2.18853 2.19216 2.21117 2.22226 2.23459 2.25053 2.28644 2.29280 2.30469 2.31343 2.32439 2.33412 2.35407 2.36465 2.39296 2.40069 2.41626 2.42069 2.42545 2.42820 2.44951 2.46516 2.48724 2.49411 2.50731 2.51944 2.53075 2.53499 2.53874 2.54261 2.54672 2.55433 2.56110 2.57068 2.57180 2.58833 2.58975 2.60014 2.60377 2.61510 2.63234 2.64320 2.64637 2.66064 2.68001 2.68813 2.70197 2.71060 2.71679 2.72383 2.73173 2.73688 2.74777 2.76307 2.77906 2.78918 2.79631 2.80588 2.81465 2.82586 2.83003 2.84357 2.84884 2.86254 2.87358 2.87946 2.88226 2.89512 2.91375 2.91982 2.92110 2.94419 2.94675 2.95558 2.97043 2.99678 3.01236 3.02850 3.03008 3.04724 3.05280 3.07485 3.10311 3.10349 3.10865 3.14570 3.17150 3.17819 3.19504 3.21353 3.23186 3.24986 3.25421 3.30013 3.34166 3.35930 3.38462 3.40305 3.41010 3.45244 3.49939 3.53434 3.53787 3.56228 3.58951 3.62080 3.65419 3.65633 3.69384 3.74107 3.76856 3.78856 3.79610 3.80397 3.81086 3.81805 3.82738 3.82975 3.84802 3.85797 3.86310 3.96175 3.97992 4.04070 4.04957 4.06169 4.11068 4.11788 4.16783 4.19678 4.24599 4.30289 4.33409 4.35267 4.35820 4.59481 4.78044 4.84105 4.89274 5.02801 5.11869 5.13557 5.18356 5.27299 5.29686 5.36965 5.63243 5.82744 5.88500 23.58403 23.80238 23.84817 23.85210 23.90168 23.91093 23.91712 23.93750 23.94371 23.97276 23.98547 23.99474 24.01440 24.05966 24.07634 24.16125 35.58620 35.73793 49.88969 50.01789 50.07178 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.319378 -0.057731 -0.188713 0.258000 -0.186445 0.368272 -0.053985 0.060206 -0.486411 -0.453670 -0.606762 -0.482486 0.462441 0.335916 -0.031741 0.043155 0.319713 -1.006589 -0.642506 -0.367638 -0.175809 0.163231 0.166125 0.155789 0.183652 0.149246 0.141217 0.141095 0.137500 0.137157 0.164301 0.308109 0.138918 0.137484 0.129709 0.178037 0.145058 0.148008 0.155132 0.167654 0.164739 -0.00000 5.3021 -0.5437 1.4320 5.5189 -120.8364 -110.1289 -134.4000 -2.4377 -8.8156 2.7597 0.9520 11.6595 -12.6116 -2.4377 -8.8156 2.7597 94.5591 48.5805 -3.7513 35.8937 8.4361 46.6348 23.5082 4.3394 4.5351 4.4979 -5788.9240 -2051.3156 -935.5651 -52.0331 -106.3261 92.1788 48.0844 -26.2199 10.0992 -1267.5506 -1263.5009 -543.6838 -45.1130 18.0340 8.8626 (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)|(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)|(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)|(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)|(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)|(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)|(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) GINC-BELVIS10 APULGAR 2022-06-01T00:00:00.000 0 Wavefunction imazamethabenz_methyl_m CONF56 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-957.2690271 RMSD=8.031e-09 Dipole=2.0680313,-0.4298667,0.5029671 Quadrupole=0.4807828,7.7787986,-8.2595814,-0.3193171,-6.5344767,4.9950528 PG=C01 [X(C16H20N2O3)] 0 -3.3763031751 0.0639130777 -2.183832181 0 2.4667017896 2.2288289772 0.8643148186 0 0.8113519024 2.1110536765 -0.6580476048 0 -1.1647050497 0.0628942903 0.6320296456 0 -1.211076142 -0.4931730116 -1.5563725348 0 -2.5119823774 0.3990416379 0.1290382739 0 -3.61939561 -0.3813225891 0.8879198336 0 -2.4963322643 -0.0137750972 -1.3575738116 0 -2.6927785806 1.9257554471 0.1855015782 0 -3.4287979516 -1.8996128097 0.7526472944 0 -3.7005438009 0.0174121239 2.3668766641 0 -0.4957057494 -0.3842614606 -0.358492345 0 0.9209615629 -0.811937755 -0.2950959723 0 1.9480234405 0.1018965342 -0.0118768261 0 1.2398283249 -2.1607724155 -0.4512096336 0 3.2583392302 -0.3550708198 0.1450398422 0 3.5824422539 -1.7057541961 -0.0037832059 0 2.5536312254 -2.6001753318 -0.3130042146 0 1.6528644228 1.5670897906 0.0185648265 0 4.9992148985 -2.1859224766 0.1917398106 0 2.2706094585 3.6554699354 0.9274767334 0 -4.5578595124 -0.1091121323 0.390785694 0 -3.6721923082 2.1982073583 -0.2145195756 0 -2.6048239558 2.2764093395 1.2137051126 0 -1.916043951 2.4160985777 -0.4050814433 0 -2.4854467971 -2.2108993937 1.2101894429 0 -4.2397417021 -2.4299497693 1.2584823065 0 -3.429649873 -2.2192097724 -0.2929417964 0 -4.4615532314 -0.5823096729 2.8740444797 0 -3.9701344248 1.0671488897 2.4983723762 0 -2.7419099786 -0.1548351859 2.8625885787 0 -0.8217413763 -0.7159362633 -2.4601518237 0 0.449204533 -2.8731725109 -0.6590808269 0 4.0363235778 0.3641381042 0.3709823424 0 2.7789683783 -3.6542084194 -0.4372373324 0 5.1769102368 -2.4424639564 1.2415393845 0 5.204316663 -3.0780646471 -0.4041058339 0 5.7232738052 -1.4164896737 -0.0850135572 0 2.999211111 4.0162993618 1.6499957722 0 1.2553104373 3.8818832278 1.2562952025 0 2.438815116 4.1066106425 -0.0518618979 Gaussian 16 1-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3763,.0639,-2.1838;2.4667,2.2288,.8643;.8114,2.1111,-.658;-1.1647,.0629,.632;-1.2111,-.4932,-1.5564;-2.512,.399,.129;-3.6194,-.3813,.8879;-2.4963,-.0138,-1.3576;-2.6928,1.9258,.1855;-3.4288,-1.8996,.7526;-3.7005,.0174,2.3669;-.4957,-.3843,-.3585;.921,-.8119,-.2951;1.948,.1019,-.0119;1.2398,-2.1608,-.4512;3.2583,-.3551,.145;3.5824,-1.7058,-.0038;2.5536,-2.6002,-.313;1.6529,1.5671,.0186;4.9992,-2.1859,.1917;2.2706,3.6555,.9275;-4.5579,-.1091,.3908;-3.6722,2.1982,-.2145;-2.6048,2.2764,1.2137;-1.916,2.4161,-.4051;-2.4854,-2.2109,1.2102;-4.2397,-2.4299,1.2585;-3.4297,-2.2192,-.2929;-4.4616,-.5823,2.874;-3.9701,1.0671,2.4984;-2.7419,-.1548,2.8626;-.8217,-.7159,-2.4602;.4492,-2.8732,-.6591;4.0363,.3641,.371;2.779,-3.6542,-.4372;5.1769,-2.4425,1.2415;5.2043,-3.0781,-.4041;5.7233,-1.4165,-.085;2.9992,4.0163,1.65;1.2553,3.8819,1.2563;2.4388,4.1066,-.0519; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolino #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum imazamethabenz_methyl_m CONF56 gas 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 32 33 34 35 36 37 38 39 40 41 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 603 A 582 A 582 916 603 77 77 1721.7041647809 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0441967036 0.000000 6.936769 0.000000 4.904616 2.252031 0.000000 3.580537 4.234660 3.124749 0.000000 2.322124 5.176396 3.417484 2.258421 0.000000 2.491733 5.355002 3.820346 1.476872 2.308466 0.000000 3.113357 6.622238 5.313518 2.507651 3.433231 1.552815 0.000000 1.209581 5.881987 3.993120 2.395335 1.386083 1.542945 2.537440 0.000000 3.089888 5.212761 3.608994 2.450438 3.328781 1.538418 2.583529 2.486253 0.000000 3.532860 7.198154 6.004530 2.998683 3.496847 2.552107 1.536174 2.979750 3.936600 0.000000 4.562482 6.721828 5.821572 3.072823 4.674402 2.562468 1.533913 3.914413 3.068511 2.520827 0.000000 3.439559 4.135137 2.832796 1.276183 1.399476 2.217346 3.363182 2.266700 3.234074 3.483382 4.226105 0.000000 4.775031 3.602750 2.947478 2.444360 2.497602 3.664896 4.711666 3.666581 4.559063 4.604477 5.397428 1.481173 0.000000 5.750416 2.358088 2.397138 3.178870 3.566439 4.472114 5.660326 4.645060 4.990237 5.787983 6.129594 2.515612 1.403625 0.000000 5.409240 4.743883 4.298241 3.449621 3.163733 4.578801 5.345256 4.403407 5.707058 4.828410 6.090433 2.485290 1.394777 2.411270 0.000000 7.043981 2.796531 3.565735 4.469360 4.784302 5.819412 6.917788 5.957397 6.373351 6.890036 7.314462 3.787776 2.421938 1.396556 2.773167 0.000000 7.503897 4.180839 4.761830 5.105662 5.182539 6.449017 7.376701 6.453452 7.252730 7.054591 7.850555 4.301564 2.822632 2.437005 2.427977 1.396974 0.000000 6.764724 4.971209 5.034905 4.670231 4.489816 5.903486 6.668717 5.769118 6.946753 6.116850 7.290283 3.769721 2.421513 2.785432 1.392212 2.397272 1.397877 0.000000 5.692330 1.347413 1.209068 3.252329 3.863582 4.326949 5.687602 4.648519 4.363613 6.195175 6.047731 2.926824 2.508752 1.494937 3.779979 2.507638 3.799379 4.276379 0.000000 8.991908 5.133810 6.060061 6.576089 6.670008 7.943806 8.832989 7.956244 8.721966 8.451508 9.234268 5.808863 4.330934 3.819076 3.814053 2.526825 1.508654 2.531255 5.031218 0.000000 7.380186 1.441439 2.651140 4.979485 5.958429 5.840806 7.140688 6.434947 5.308263 7.960701 7.138768 5.062178 4.824310 3.689760 6.065638 4.203838 5.597399 6.383729 2.359886 6.489103 0.000000 2.838075 7.418535 5.904034 3.406065 3.891001 2.124228 1.096337 2.704763 2.767915 2.147467 2.157761 4.139833 5.566137 6.521746 6.207371 7.823928 8.304786 7.567960 6.443702 9.782149 7.815888 0.000000 2.919067 6.233044 4.506271 3.400544 3.886025 2.168206 2.805733 2.753559 1.092473 4.217438 3.379390 4.096333 5.492224 6.001867 6.571505 7.394645 8.241059 7.860983 5.367389 9.725171 6.224521 2.544509 0.000000 4.127176 5.083769 3.898853 2.704059 4.157698 2.170168 2.863395 3.445024 1.089907 4.281433 2.762874 3.741571 4.923975 5.192203 6.102612 6.514861 7.458027 7.260963 4.478773 8.875710 5.074799 3.190965 1.784717 0.000000 3.290758 4.566716 2.756036 2.679119 3.207228 2.170010 3.521196 2.673623 1.092035 4.717428 4.076995 3.140310 4.298944 4.521190 5.559623 5.895444 6.883608 6.719336 3.692885 8.328001 4.565065 3.740225 1.779845 1.764767 0.000000 4.181839 6.659924 5.747910 2.692353 3.496923 2.825134 2.176476 3.379480 4.266718 1.093689 2.789222 3.123530 3.978265 5.147633 4.079269 6.129414 6.208718 5.278633 5.728769 7.553676 7.557399 3.063303 4.783135 4.488898 4.933805 0.000000 4.337558 8.175327 7.057432 4.007813 4.565887 3.501998 2.172330 3.964988 4.745161 1.093049 2.740229 4.562593 5.627115 6.805328 5.746407 7.859141 7.956402 6.974845 7.227484 9.303537 8.917767 2.498076 4.889958 4.982447 5.625940 1.768577 0.000000 2.964956 7.476045 6.072115 3.345676 3.081806 2.806318 2.192776 2.620776 4.237054 1.093343 3.485756 3.461121 4.572553 5.863949 4.672525 6.956726 7.036809 5.995431 6.345475 8.442854 8.276125 2.488544 4.424766 4.812579 4.877465 1.775103 1.762832 0.000000 5.213203 7.742237 6.894448 4.038827 5.495648 3.506984 2.166637 4.700204 4.080100 2.702258 1.093627 5.120202 6.250412 7.062532 6.786355 8.191205 8.616837 7.965041 7.082357 9.963557 8.189622 2.529776 4.230082 3.791628 5.120814 3.053803 2.464349 3.711343 0.000000 4.825159 6.741847 5.823687 3.515992 5.146646 2.861174 2.194230 4.267178 2.778167 3.484577 1.091750 4.726513 5.937782 6.500589 6.801707 7.733803 8.425627 7.994537 6.165833 9.815918 6.936426 2.484136 2.954293 2.230864 3.803813 3.822213 3.720177 4.345539 1.761629 0.000000 5.090842 6.066679 5.491339 2.740506 4.688832 2.798561 2.172693 4.229654 3.390880 2.822750 1.092876 3.933628 4.880511 5.506718 5.555113 6.590004 7.114694 6.641298 5.510675 8.437047 6.586990 3.067503 3.983821 2.940843 4.239036 2.650207 3.161140 3.833015 1.772015 1.770433 0.000000 2.685201 5.526082 3.729135 3.207146 1.008971 3.286943 4.375891 2.124374 4.180765 4.303477 5.667937 2.152506 2.780952 3.786093 3.220787 4.854308 5.139097 4.421961 4.180899 6.563301 6.336233 4.738635 4.654049 5.062681 3.902622 4.298167 5.333742 3.709153 6.459082 6.138301 5.686251 0.000000 5.058246 5.693984 4.997366 3.590565 3.037443 4.482984 5.015579 4.164161 5.797852 4.240247 5.893412 2.679158 2.145630 3.393577 1.084348 3.857290 3.407266 2.150095 4.650154 4.679616 6.961168 5.814889 6.549995 6.273166 5.799595 3.541886 5.085244 3.950600 6.468892 6.710157 5.474918 3.084287 0.000000 7.846289 2.486797 3.809338 5.216281 5.655518 6.552867 7.709278 6.768036 6.910417 7.810139 7.997683 4.650970 3.395923 2.139240 3.856366 1.083315 2.151955 3.384283 2.692985 2.731684 3.776281 8.607226 7.945303 6.962169 6.343776 7.061769 8.779968 7.928130 8.909264 8.314047 7.240296 5.725616 4.940509 0.000000 7.400161 6.033380 6.095779 5.523834 5.212011 6.689070 7.308001 6.475227 7.839886 6.559786 7.957885 4.628417 3.398661 3.870365 2.144644 3.384251 2.151726 1.084987 5.360767 2.735136 7.453340 8.190383 8.713085 8.178206 7.674165 5.701861 7.323699 6.373930 8.533833 8.744107 7.322197 5.068603 2.467191 4.287338 0.000000 9.548432 5.413733 6.587948 6.845758 7.241161 8.272296 9.041479 8.457693 9.062481 8.636661 9.280440 6.242986 4.809674 4.297736 4.294807 3.039809 2.153114 3.053371 5.476412 1.095202 6.762397 10.046594 10.097651 9.100765 8.753684 7.665919 9.416675 8.745133 9.951142 9.877522 8.400521 7.257220 5.113616 3.152114 3.168082 0.000000 9.309484 6.104633 6.803644 7.176603 7.011893 8.480317 9.316633 8.342599 9.367495 8.789624 9.826335 6.304674 4.847097 4.568308 4.069498 3.391620 2.161937 2.694960 5.862501 1.092253 7.464599 10.234579 10.327991 9.605747 8.993629 7.905086 9.611165 8.677290 10.507336 10.477487 9.075190 6.791197 4.766349 3.716683 2.493061 1.764338 0.000000 9.455101 4.979441 6.074447 7.081453 7.148610 8.435723 9.450060 8.434983 9.059455 9.203016 9.842570 6.309991 4.844772 4.069811 4.559533 2.693592 2.161812 3.391125 5.047842 1.092191 6.218585 10.374841 10.067651 9.202249 8.552798 8.348157 10.104146 9.190408 10.638730 10.334627 9.052042 6.997805 5.501571 2.494868 3.714886 1.763768 1.769737 0.000000 8.424178 2.023836 3.707257 5.831283 6.952888 6.765436 7.982844 7.449025 6.238098 8.781945 7.835288 5.967697 5.604853 4.380567 6.757715 4.630434 5.984734 6.915898 3.236177 6.677880 1.087700 8.701376 7.161669 5.884112 5.562708 8.309808 9.701023 9.164433 8.849209 7.615051 7.199251 7.340780 7.700597 4.006215 7.952467 6.828238 7.707907 6.320283 0.000000 6.918325 2.086554 2.645306 4.564084 5.756325 5.252941 6.486400 6.006937 4.534362 7.457897 6.381851 4.886060 4.954852 4.046778 6.279291 4.816512 6.182640 6.794514 2.654862 7.208909 1.090971 7.104231 5.410947 4.180909 3.868615 7.149643 8.368682 7.846803 7.431599 6.063890 5.903647 6.266264 7.067478 4.570814 7.872882 7.441541 8.172665 7.059360 1.792835 0.000000 7.396236 2.089551 2.645439 5.459369 6.061623 6.187826 7.597806 6.560346 5.580835 8.435096 7.762961 5.373394 5.153170 4.034874 6.393523 4.540594 5.924000 6.712850 2.659294 6.797865 1.091295 8.180569 6.404129 5.512676 4.684804 8.108765 9.436458 8.632092 8.840927 7.537682 7.313949 6.299845 7.283175 4.091079 7.777823 7.215291 7.706597 6.425994 1.794023 1.778331 0.000000 C16H20N2O3 C1 1 C1 1 C1 1 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3382,-.4935,-2.2153;2.3151,2.4736,.4968;.6883,2.0271,-.9952;-1.1633,.0597,.5747;-1.1483,-.8085,-1.5101;-2.524,.2291,.0261;-3.5862,-.5056,.8882;-2.4645,-.3922,-1.385;-2.8053,1.7324,-.1395;-3.2948,-2.0113,.9746;-3.7101,.0963,2.2936;-.4552,-.4803,-.3395;.9857,-.7989,-.2124;1.9472,.2126,-.0629;1.3942,-2.1319,-.1709;3.2829,-.1285,.1608;3.6967,-1.4619,.2098;2.7324,-2.4582,.0317;1.5561,1.6439,-.2455;5.1396,-1.8133,.4751;2.025,3.8781,.3523;-4.5349,-.3712,.3553;-3.796,1.8784,-.5764;-2.7522,2.233,.8272;-2.0559,2.183,-.7936;-2.3382,-2.1897,1.474;-4.0748,-2.5159,1.5506;-3.2628,-2.478,-.0136;-4.4358,-.4732,2.8811;-4.0496,1.1337,2.2712;-2.7479,.0618,2.8107;-.735,-1.1331,-2.3714;.6545,-2.9179,-.2747;4.0093,.666,.2814;3.0279,-3.5017,.0618;5.3219,-1.9031,1.5513;5.4096,-2.7665,.0152;5.8147,-1.0454,.091;2.7201,4.3873,1.0161;.9933,4.0815,.6431;2.1742,4.1933,-.6818; 0.4627698 0.2099322 0.1728146 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. One-electron integral symmetry used in STVInt NBasis= 582 RedAO= T EigKep= 1.52D-06 NBF= 582 NBsUse= 579 1.00D-06 EigRej= 5.17D-07 NBFU= 579 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= 600 600 600 600 600 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.269027147188 -957.269027147181 0.000000000007 -957.269027147 2 9.532655051877e+02 -5.674671453107e+03 2.042476952694e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245984324 LenY= 4245620112 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. 1 Singlet-A 4.2619 290.91 0.0196 0.000 77 78 0.67999 77 79 0.12020 -957.112403678 2 Singlet-A 4.4109 281.09 0.0121 0.000 76 78 0.68831 3 Singlet-A 4.6894 264.39 0.0022 0.000 76 78 0.10911 76 79 -0.10930 76 80 0.12175 77 78 -0.16003 77 79 0.57167 77 80 -0.30743 4 Singlet-A 4.8498 255.65 0.0202 0.000 73 78 -0.32177 74 78 0.13604 74 79 0.18495 75 78 0.53793 75 79 -0.17067 5 Singlet-A 4.9426 250.85 0.0089 0.000 73 78 0.33237 74 78 0.42807 75 79 -0.13202 76 79 0.37010 77 80 0.10820 6 Singlet-A 5.0440 245.81 0.0207 0.000 73 78 -0.25562 74 78 -0.23309 75 78 -0.10795 75 79 0.18539 76 79 0.49644 77 79 0.21592 77 80 0.15829 7 Singlet-A 5.2429 236.48 0.0016 0.000 76 79 -0.28388 76 80 -0.20395 77 79 0.28710 77 80 0.50852 8 Singlet-A 5.3635 231.16 0.0802 0.000 73 78 0.37279 74 78 -0.24531 75 78 0.36896 75 79 0.35565 9 Singlet-A 5.7236 216.62 0.0278 0.000 72 78 0.58413 72 79 0.12877 72 80 -0.10121 73 78 0.15491 74 78 -0.10446 76 80 -0.23978 10 Singlet-A 5.8188 213.08 0.0733 0.000 72 78 0.29664 74 78 0.10904 75 79 0.15357 76 80 0.54456 77 80 0.21835 PT34992.800S Wed Jun 1 20:27:30 2022 -19.18131 -19.12238 -19.10434 -14.35956 -14.29699 -10.31575 -10.27780 -10.25917 -10.23430 -10.21356 -10.21304 -10.21228 -10.20869 -10.20196 -10.19866 -10.19845 -10.18594 -10.17694 -10.15867 -10.15307 -10.15074 -1.12218 -1.05844 -1.03431 -0.99813 -0.89258 -0.88415 -0.82004 -0.79972 -0.79073 -0.74843 -0.73748 -0.71878 -0.68444 -0.66658 -0.65191 -0.62757 -0.61129 -0.60679 -0.57469 -0.55806 -0.54482 -0.52060 -0.50819 -0.49731 -0.49449 -0.48396 -0.47428 -0.46323 -0.45211 -0.44523 -0.44281 -0.43586 -0.43485 -0.42741 -0.41794 -0.40987 -0.40382 -0.39230 -0.38419 -0.38205 -0.37944 -0.37823 -0.37393 -0.37303 -0.36717 -0.34928 -0.33724 -0.33412 -0.32835 -0.32127 -0.30285 -0.29696 -0.28094 -0.27174 -0.25378 -0.24739 -0.06516 -0.04384 -0.01348 -0.00649 0.00318 0.00648 0.01602 0.01752 0.01886 0.02278 0.02942 0.03142 0.03728 0.03881 0.04112 0.04674 0.04828 0.05084 0.05966 0.06099 0.06517 0.06779 0.07625 0.07808 0.08080 0.08850 0.08990 0.09259 0.09293 0.10018 0.10228 0.10714 0.10843 0.11050 0.11689 0.12217 0.12243 0.12911 0.13118 0.13675 0.13880 0.14039 0.14147 0.14483 0.15014 0.15359 0.15805 0.16280 0.16414 0.16802 0.17121 0.17482 0.17724 0.18369 0.18464 0.18546 0.18712 0.19294 0.19509 0.19713 0.20175 0.20481 0.20944 0.21061 0.21425 0.21669 0.22109 0.22339 0.22463 0.22652 0.22797 0.23637 0.23888 0.24358 0.24512 0.24840 0.25166 0.25329 0.25503 0.25713 0.25982 0.26354 0.26635 0.27090 0.27280 0.27601 0.27904 0.28311 0.28979 0.29150 0.29407 0.29712 0.30206 0.30302 0.30567 0.31224 0.31471 0.31694 0.32469 0.32896 0.33329 0.33552 0.34217 0.34638 0.34864 0.35470 0.35909 0.36461 0.36886 0.37352 0.37777 0.38302 0.39048 0.39424 0.39681 0.39892 0.40758 0.40868 0.41413 0.42246 0.42672 0.43335 0.44560 0.44758 0.45437 0.45600 0.46406 0.47213 0.48874 0.49188 0.49711 0.50219 0.51609 0.52619 0.53157 0.53613 0.53894 0.54280 0.54363 0.55336 0.56098 0.56185 0.56855 0.58119 0.58517 0.59452 0.59688 0.60216 0.61025 0.61294 0.62191 0.63264 0.63779 0.63947 0.64066 0.64641 0.65949 0.66482 0.67009 0.67191 0.67606 0.68099 0.68545 0.68656 0.69168 0.69493 0.69763 0.70214 0.70494 0.70812 0.71346 0.71918 0.72296 0.72912 0.73388 0.74606 0.74936 0.75675 0.76376 0.77216 0.77343 0.77967 0.78633 0.78905 0.80129 0.80749 0.81368 0.82456 0.83645 0.84440 0.85258 0.85836 0.86667 0.88132 0.89490 0.90446 0.91195 0.92830 0.93253 0.93879 0.94289 0.94992 0.95951 0.96656 0.97815 0.99065 0.99435 1.00135 1.01378 1.02260 1.02545 1.04882 1.05367 1.05645 1.06722 1.08205 1.09216 1.09532 1.11243 1.12058 1.13766 1.14786 1.15468 1.18291 1.18848 1.19027 1.20172 1.20614 1.21460 1.23426 1.24410 1.25654 1.25869 1.27847 1.29753 1.30274 1.31104 1.31684 1.33657 1.34280 1.34945 1.35341 1.35583 1.37970 1.38970 1.40275 1.40902 1.42781 1.43954 1.45109 1.46662 1.47120 1.48098 1.48656 1.48982 1.49774 1.50208 1.51027 1.51825 1.52513 1.54121 1.54546 1.54830 1.55271 1.55996 1.56311 1.56815 1.58199 1.58354 1.59161 1.59406 1.60038 1.61049 1.61378 1.62196 1.62625 1.63915 1.65421 1.65580 1.66447 1.66552 1.67786 1.68646 1.69273 1.70091 1.70500 1.70674 1.71423 1.72353 1.72994 1.75075 1.75792 1.76386 1.77612 1.78484 1.79043 1.79382 1.80330 1.81063 1.82173 1.83493 1.83966 1.84989 1.86396 1.86764 1.88655 1.90381 1.91159 1.91318 1.93064 1.93910 1.94706 1.95387 1.97400 1.97838 1.98511 2.00376 2.01141 2.01204 2.02721 2.04999 2.05685 2.06234 2.07206 2.08418 2.09568 2.11043 2.11385 2.12418 2.13135 2.16199 2.16354 2.18853 2.19216 2.21117 2.22226 2.23459 2.25053 2.28644 2.29280 2.30469 2.31343 2.32439 2.33412 2.35407 2.36465 2.39296 2.40069 2.41626 2.42069 2.42545 2.42820 2.44951 2.46516 2.48724 2.49411 2.50731 2.51944 2.53075 2.53499 2.53874 2.54261 2.54672 2.55433 2.56110 2.57068 2.57180 2.58833 2.58975 2.60014 2.60377 2.61510 2.63234 2.64320 2.64637 2.66064 2.68001 2.68813 2.70197 2.71060 2.71679 2.72383 2.73173 2.73688 2.74777 2.76307 2.77906 2.78918 2.79631 2.80588 2.81465 2.82586 2.83003 2.84357 2.84884 2.86254 2.87358 2.87946 2.88226 2.89512 2.91375 2.91982 2.92110 2.94419 2.94675 2.95558 2.97043 2.99678 3.01236 3.02850 3.03008 3.04724 3.05280 3.07485 3.10311 3.10349 3.10865 3.14570 3.17150 3.17819 3.19504 3.21353 3.23186 3.24986 3.25421 3.30013 3.34166 3.35930 3.38462 3.40305 3.41010 3.45244 3.49939 3.53434 3.53787 3.56228 3.58951 3.62080 3.65419 3.65633 3.69384 3.74107 3.76856 3.78856 3.79610 3.80397 3.81086 3.81805 3.82738 3.82975 3.84802 3.85797 3.86310 3.96175 3.97992 4.04070 4.04957 4.06169 4.11068 4.11788 4.16783 4.19678 4.24599 4.30289 4.33409 4.35267 4.35820 4.59481 4.78044 4.84105 4.89274 5.02801 5.11869 5.13557 5.18356 5.27299 5.29686 5.36965 5.63243 5.82744 5.88500 23.58403 23.80238 23.84817 23.85210 23.90168 23.91093 23.91712 23.93750 23.94371 23.97276 23.98547 23.99474 24.01440 24.05966 24.07634 24.16125 35.58620 35.73793 49.88969 50.01789 50.07178 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.319378 -0.057731 -0.188713 0.258000 -0.186445 0.368272 -0.053985 0.060206 -0.486411 -0.453670 -0.606762 -0.482486 0.462441 0.335916 -0.031742 0.043155 0.319713 -1.006589 -0.642506 -0.367638 -0.175809 0.163231 0.166125 0.155789 0.183652 0.149246 0.141217 0.141095 0.137500 0.137157 0.164301 0.308109 0.138918 0.137484 0.129709 0.178037 0.145058 0.148008 0.155132 0.167654 0.164739 -0.00000 5.3021 -0.5437 1.4320 5.5189 -120.8364 -110.1289 -134.4000 -2.4377 -8.8156 2.7597 0.9520 11.6595 -12.6116 -2.4377 -8.8156 2.7597 94.5591 48.5805 -3.7513 35.8937 8.4361 46.6348 23.5082 4.3394 4.5351 4.4979 -5788.9240 -2051.3156 -935.5651 -52.0331 -106.3261 92.1788 48.0844 -26.2199 10.0992 -1267.5506 -1263.5009 -543.6838 -45.1130 18.0340 8.8626 (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)|(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)|(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)|(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)|(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)|(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)|(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) GINC-BELVIS10 APULGAR 2022-06-01T00:00:00.000 0 Electronic spectrum imazamethabenz_methyl_m CONF56 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-957.2690271 RMSD=7.998e-09 PG=C01 [X(C16H20N2O3)] 0 -3.3763031751 0.0639130777 -2.183832181 0 2.4667017896 2.2288289772 0.8643148186 0 0.8113519024 2.1110536765 -0.6580476048 0 -1.1647050497 0.0628942903 0.6320296456 0 -1.211076142 -0.4931730116 -1.5563725348 0 -2.5119823774 0.3990416379 0.1290382739 0 -3.61939561 -0.3813225891 0.8879198336 0 -2.4963322643 -0.0137750972 -1.3575738116 0 -2.6927785806 1.9257554471 0.1855015782 0 -3.4287979516 -1.8996128097 0.7526472944 0 -3.7005438009 0.0174121239 2.3668766641 0 -0.4957057494 -0.3842614606 -0.358492345 0 0.9209615629 -0.811937755 -0.2950959723 0 1.9480234405 0.1018965342 -0.0118768261 0 1.2398283249 -2.1607724155 -0.4512096336 0 3.2583392302 -0.3550708198 0.1450398422 0 3.5824422539 -1.7057541961 -0.0037832059 0 2.5536312254 -2.6001753318 -0.3130042146 0 1.6528644228 1.5670897906 0.0185648265 0 4.9992148985 -2.1859224766 0.1917398106 0 2.2706094585 3.6554699354 0.9274767334 0 -4.5578595124 -0.1091121323 0.390785694 0 -3.6721923082 2.1982073583 -0.2145195756 0 -2.6048239558 2.2764093395 1.2137051126 0 -1.916043951 2.4160985777 -0.4050814433 0 -2.4854467971 -2.2108993937 1.2101894429 0 -4.2397417021 -2.4299497693 1.2584823065 0 -3.429649873 -2.2192097724 -0.2929417964 0 -4.4615532314 -0.5823096729 2.8740444797 0 -3.9701344248 1.0671488897 2.4983723762 0 -2.7419099786 -0.1548351859 2.8625885787 0 -0.8217413763 -0.7159362633 -2.4601518237 0 0.449204533 -2.8731725109 -0.6590808269 0 4.0363235778 0.3641381042 0.3709823424 0 2.7789683783 -3.6542084194 -0.4372373324 0 5.1769102368 -2.4424639564 1.2415393845 0 5.204316663 -3.0780646471 -0.4041058339 0 5.7232738052 -1.4164896737 -0.0850135572 0 2.999211111 4.0162993618 1.6499957722 0 1.2553104373 3.8818832278 1.2562952025 0 2.438815116 4.1066106425 -0.0518618979 Gaussian 16 1-Jun-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C16H20N2O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3763,.0639,-2.1838;2.4667,2.2288,.8643;.8114,2.1111,-.658;-1.1647,.0629,.632;-1.2111,-.4932,-1.5564;-2.512,.399,.129;-3.6194,-.3813,.8879;-2.4963,-.0138,-1.3576;-2.6928,1.9258,.1855;-3.4288,-1.8996,.7526;-3.7005,.0174,2.3669;-.4957,-.3843,-.3585;.921,-.8119,-.2951;1.948,.1019,-.0119;1.2398,-2.1608,-.4512;3.2583,-.3551,.145;3.5824,-1.7058,-.0038;2.5536,-2.6002,-.313;1.6529,1.5671,.0186;4.9992,-2.1859,.1917;2.2706,3.6555,.9275;-4.5579,-.1091,.3908;-3.6722,2.1982,-.2145;-2.6048,2.2764,1.2137;-1.916,2.4161,-.4051;-2.4854,-2.2109,1.2102;-4.2397,-2.4299,1.2585;-3.4297,-2.2192,-.2929;-4.4616,-.5823,2.874;-3.9701,1.0671,2.4984;-2.7419,-.1548,2.8626;-.8217,-.7159,-2.4602;.4492,-2.8732,-.6591;4.0363,.3641,.371;2.779,-3.6542,-.4372;5.1769,-2.4425,1.2415;5.2043,-3.0781,-.4041;5.7233,-1.4165,-.085;2.9992,4.0163,1.65;1.2553,3.8819,1.2563;2.4388,4.1066,-.0519; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolino #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point imazamethabenz_methyl_m CONF56 gas 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 32 33 34 35 36 37 38 39 40 41 16 16 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1125 A 999 A 999 1438 1125 77 77 1721.7041647809 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0441967036 0.000000 6.936769 0.000000 4.904616 2.252031 0.000000 3.580537 4.234660 3.124749 0.000000 2.322124 5.176396 3.417484 2.258421 0.000000 2.491733 5.355002 3.820346 1.476872 2.308466 0.000000 3.113357 6.622238 5.313518 2.507651 3.433231 1.552815 0.000000 1.209581 5.881987 3.993120 2.395335 1.386083 1.542945 2.537440 0.000000 3.089888 5.212761 3.608994 2.450438 3.328781 1.538418 2.583529 2.486253 0.000000 3.532860 7.198154 6.004530 2.998683 3.496847 2.552107 1.536174 2.979750 3.936600 0.000000 4.562482 6.721828 5.821572 3.072823 4.674402 2.562468 1.533913 3.914413 3.068511 2.520827 0.000000 3.439559 4.135137 2.832796 1.276183 1.399476 2.217346 3.363182 2.266700 3.234074 3.483382 4.226105 0.000000 4.775031 3.602750 2.947478 2.444360 2.497602 3.664896 4.711666 3.666581 4.559063 4.604477 5.397428 1.481173 0.000000 5.750416 2.358088 2.397138 3.178870 3.566439 4.472114 5.660326 4.645060 4.990237 5.787983 6.129594 2.515612 1.403625 0.000000 5.409240 4.743883 4.298241 3.449621 3.163733 4.578801 5.345256 4.403407 5.707058 4.828410 6.090433 2.485290 1.394777 2.411270 0.000000 7.043981 2.796531 3.565735 4.469360 4.784302 5.819412 6.917788 5.957397 6.373351 6.890036 7.314462 3.787776 2.421938 1.396556 2.773167 0.000000 7.503897 4.180839 4.761830 5.105662 5.182539 6.449017 7.376701 6.453452 7.252730 7.054591 7.850555 4.301564 2.822632 2.437005 2.427977 1.396974 0.000000 6.764724 4.971209 5.034905 4.670231 4.489816 5.903486 6.668717 5.769118 6.946753 6.116850 7.290283 3.769721 2.421513 2.785432 1.392212 2.397272 1.397877 0.000000 5.692330 1.347413 1.209068 3.252329 3.863582 4.326949 5.687602 4.648519 4.363613 6.195175 6.047731 2.926824 2.508752 1.494937 3.779979 2.507638 3.799379 4.276379 0.000000 8.991908 5.133810 6.060061 6.576089 6.670008 7.943806 8.832989 7.956244 8.721966 8.451508 9.234268 5.808863 4.330934 3.819076 3.814053 2.526825 1.508654 2.531255 5.031218 0.000000 7.380186 1.441439 2.651140 4.979485 5.958429 5.840806 7.140688 6.434947 5.308263 7.960701 7.138768 5.062178 4.824310 3.689760 6.065638 4.203838 5.597399 6.383729 2.359886 6.489103 0.000000 2.838075 7.418535 5.904034 3.406065 3.891001 2.124228 1.096337 2.704763 2.767915 2.147467 2.157761 4.139833 5.566137 6.521746 6.207371 7.823928 8.304786 7.567960 6.443702 9.782149 7.815888 0.000000 2.919067 6.233044 4.506271 3.400544 3.886025 2.168206 2.805733 2.753559 1.092473 4.217438 3.379390 4.096333 5.492224 6.001867 6.571505 7.394645 8.241059 7.860983 5.367389 9.725171 6.224521 2.544509 0.000000 4.127176 5.083769 3.898853 2.704059 4.157698 2.170168 2.863395 3.445024 1.089907 4.281433 2.762874 3.741571 4.923975 5.192203 6.102612 6.514861 7.458027 7.260963 4.478773 8.875710 5.074799 3.190965 1.784717 0.000000 3.290758 4.566716 2.756036 2.679119 3.207228 2.170010 3.521196 2.673623 1.092035 4.717428 4.076995 3.140310 4.298944 4.521190 5.559623 5.895444 6.883608 6.719336 3.692885 8.328001 4.565065 3.740225 1.779845 1.764767 0.000000 4.181839 6.659924 5.747910 2.692353 3.496923 2.825134 2.176476 3.379480 4.266718 1.093689 2.789222 3.123530 3.978265 5.147633 4.079269 6.129414 6.208718 5.278633 5.728769 7.553676 7.557399 3.063303 4.783135 4.488898 4.933805 0.000000 4.337558 8.175327 7.057432 4.007813 4.565887 3.501998 2.172330 3.964988 4.745161 1.093049 2.740229 4.562593 5.627115 6.805328 5.746407 7.859141 7.956402 6.974845 7.227484 9.303537 8.917767 2.498076 4.889958 4.982447 5.625940 1.768577 0.000000 2.964956 7.476045 6.072115 3.345676 3.081806 2.806318 2.192776 2.620776 4.237054 1.093343 3.485756 3.461121 4.572553 5.863949 4.672525 6.956726 7.036809 5.995431 6.345475 8.442854 8.276125 2.488544 4.424766 4.812579 4.877465 1.775103 1.762832 0.000000 5.213203 7.742237 6.894448 4.038827 5.495648 3.506984 2.166637 4.700204 4.080100 2.702258 1.093627 5.120202 6.250412 7.062532 6.786355 8.191205 8.616837 7.965041 7.082357 9.963557 8.189622 2.529776 4.230082 3.791628 5.120814 3.053803 2.464349 3.711343 0.000000 4.825159 6.741847 5.823687 3.515992 5.146646 2.861174 2.194230 4.267178 2.778167 3.484577 1.091750 4.726513 5.937782 6.500589 6.801707 7.733803 8.425627 7.994537 6.165833 9.815918 6.936426 2.484136 2.954293 2.230864 3.803813 3.822213 3.720177 4.345539 1.761629 0.000000 5.090842 6.066679 5.491339 2.740506 4.688832 2.798561 2.172693 4.229654 3.390880 2.822750 1.092876 3.933628 4.880511 5.506718 5.555113 6.590004 7.114694 6.641298 5.510675 8.437047 6.586990 3.067503 3.983821 2.940843 4.239036 2.650207 3.161140 3.833015 1.772015 1.770433 0.000000 2.685201 5.526082 3.729135 3.207146 1.008971 3.286943 4.375891 2.124374 4.180765 4.303477 5.667937 2.152506 2.780952 3.786093 3.220787 4.854308 5.139097 4.421961 4.180899 6.563301 6.336233 4.738635 4.654049 5.062681 3.902622 4.298167 5.333742 3.709153 6.459082 6.138301 5.686251 0.000000 5.058246 5.693984 4.997366 3.590565 3.037443 4.482984 5.015579 4.164161 5.797852 4.240247 5.893412 2.679158 2.145630 3.393577 1.084348 3.857290 3.407266 2.150095 4.650154 4.679616 6.961168 5.814889 6.549995 6.273166 5.799595 3.541886 5.085244 3.950600 6.468892 6.710157 5.474918 3.084287 0.000000 7.846289 2.486797 3.809338 5.216281 5.655518 6.552867 7.709278 6.768036 6.910417 7.810139 7.997683 4.650970 3.395923 2.139240 3.856366 1.083315 2.151955 3.384283 2.692985 2.731684 3.776281 8.607226 7.945303 6.962169 6.343776 7.061769 8.779968 7.928130 8.909264 8.314047 7.240296 5.725616 4.940509 0.000000 7.400161 6.033380 6.095779 5.523834 5.212011 6.689070 7.308001 6.475227 7.839886 6.559786 7.957885 4.628417 3.398661 3.870365 2.144644 3.384251 2.151726 1.084987 5.360767 2.735136 7.453340 8.190383 8.713085 8.178206 7.674165 5.701861 7.323699 6.373930 8.533833 8.744107 7.322197 5.068603 2.467191 4.287338 0.000000 9.548432 5.413733 6.587948 6.845758 7.241161 8.272296 9.041479 8.457693 9.062481 8.636661 9.280440 6.242986 4.809674 4.297736 4.294807 3.039809 2.153114 3.053371 5.476412 1.095202 6.762397 10.046594 10.097651 9.100765 8.753684 7.665919 9.416675 8.745133 9.951142 9.877522 8.400521 7.257220 5.113616 3.152114 3.168082 0.000000 9.309484 6.104633 6.803644 7.176603 7.011893 8.480317 9.316633 8.342599 9.367495 8.789624 9.826335 6.304674 4.847097 4.568308 4.069498 3.391620 2.161937 2.694960 5.862501 1.092253 7.464599 10.234579 10.327991 9.605747 8.993629 7.905086 9.611165 8.677290 10.507336 10.477487 9.075190 6.791197 4.766349 3.716683 2.493061 1.764338 0.000000 9.455101 4.979441 6.074447 7.081453 7.148610 8.435723 9.450060 8.434983 9.059455 9.203016 9.842570 6.309991 4.844772 4.069811 4.559533 2.693592 2.161812 3.391125 5.047842 1.092191 6.218585 10.374841 10.067651 9.202249 8.552798 8.348157 10.104146 9.190408 10.638730 10.334627 9.052042 6.997805 5.501571 2.494868 3.714886 1.763768 1.769737 0.000000 8.424178 2.023836 3.707257 5.831283 6.952888 6.765436 7.982844 7.449025 6.238098 8.781945 7.835288 5.967697 5.604853 4.380567 6.757715 4.630434 5.984734 6.915898 3.236177 6.677880 1.087700 8.701376 7.161669 5.884112 5.562708 8.309808 9.701023 9.164433 8.849209 7.615051 7.199251 7.340780 7.700597 4.006215 7.952467 6.828238 7.707907 6.320283 0.000000 6.918325 2.086554 2.645306 4.564084 5.756325 5.252941 6.486400 6.006937 4.534362 7.457897 6.381851 4.886060 4.954852 4.046778 6.279291 4.816512 6.182640 6.794514 2.654862 7.208909 1.090971 7.104231 5.410947 4.180909 3.868615 7.149643 8.368682 7.846803 7.431599 6.063890 5.903647 6.266264 7.067478 4.570814 7.872882 7.441541 8.172665 7.059360 1.792835 0.000000 7.396236 2.089551 2.645439 5.459369 6.061623 6.187826 7.597806 6.560346 5.580835 8.435096 7.762961 5.373394 5.153170 4.034874 6.393523 4.540594 5.924000 6.712850 2.659294 6.797865 1.091295 8.180569 6.404129 5.512676 4.684804 8.108765 9.436458 8.632092 8.840927 7.537682 7.313949 6.299845 7.283175 4.091079 7.777823 7.215291 7.706597 6.425994 1.794023 1.778331 0.000000 C16H20N2O3 C1 1 C1 1 C1 1 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 0 0 0 0 0 0 0 0 0 0 268.1827999999999 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;4;5;1;2;3;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-3.3382,-.4935,-2.2153;2.3151,2.4736,.4968;.6883,2.0271,-.9952;-1.1633,.0597,.5747;-1.1483,-.8085,-1.5101;-2.524,.2291,.0261;-3.5862,-.5056,.8882;-2.4645,-.3922,-1.385;-2.8053,1.7324,-.1395;-3.2948,-2.0113,.9746;-3.7101,.0963,2.2936;-.4552,-.4803,-.3395;.9857,-.7989,-.2124;1.9472,.2126,-.0629;1.3942,-2.1319,-.1709;3.2829,-.1285,.1608;3.6967,-1.4619,.2098;2.7324,-2.4582,.0317;1.5561,1.6439,-.2455;5.1396,-1.8133,.4751;2.025,3.8781,.3523;-4.5349,-.3712,.3553;-3.796,1.8784,-.5764;-2.7522,2.233,.8272;-2.0559,2.183,-.7936;-2.3382,-2.1897,1.474;-4.0748,-2.5159,1.5506;-3.2628,-2.478,-.0136;-4.4358,-.4732,2.8811;-4.0496,1.1337,2.2712;-2.7479,.0618,2.8107;-.735,-1.1331,-2.3714;.6545,-2.9179,-.2747;4.0093,.666,.2814;3.0279,-3.5017,.0618;5.3219,-1.9031,1.5513;5.4096,-2.7665,.0152;5.8147,-1.0454,.091;2.7201,4.3873,1.0161;.9933,4.0815,.6431;2.1742,4.1933,-.6818; 0.4627698 0.2099322 0.1728146 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. One-electron integral symmetry used in STVInt NBasis= 999 RedAO= T EigKep= 1.08D-06 NBF= 999 NBsUse= 994 1.00D-06 EigRej= 9.48D-07 NBFU= 994 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= 1114 1114 1114 1114 1114 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -957.274567852669 -957.333676414161 -0.059108561492 -957.333645357634 0.000031056527 -957.333915780652 -0.000270423018 -957.333967148976 -0.000051368324 -957.333972950977 -0.000005802001 -957.333973366963 -0.000000415986 -957.333973411842 -0.000000044879 -957.333973418455 -0.000000006613 -957.333973419002 -0.000000000547 -957.333973418878 0.000000000124 -957.333973419 11 9.529823654931e+02 -5.674714342917e+03 2.042738035928e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4244164132 LenY= 4242897382 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. PT31930.400S Wed Jun 1 20:49:44 2022 -19.18114 -19.12081 -19.10304 -14.35819 -14.29572 -10.31266 -10.27502 -10.25727 -10.23193 -10.21232 -10.21183 -10.21059 -10.20777 -10.20071 -10.19743 -10.19737 -10.18457 -10.17572 -10.15711 -10.15176 -10.14952 -1.11843 -1.05469 -1.03069 -0.99477 -0.89087 -0.88185 -0.81849 -0.79822 -0.78917 -0.74709 -0.73545 -0.71756 -0.68358 -0.66521 -0.65051 -0.62621 -0.60985 -0.60507 -0.57317 -0.55638 -0.54332 -0.51914 -0.50684 -0.49586 -0.49345 -0.48271 -0.47325 -0.46204 -0.45100 -0.44445 -0.44247 -0.43476 -0.43342 -0.42628 -0.41689 -0.40908 -0.40315 -0.39129 -0.38376 -0.38125 -0.37891 -0.37759 -0.37322 -0.37222 -0.36624 -0.34851 -0.33671 -0.33369 -0.32767 -0.32086 -0.30225 -0.29621 -0.28096 -0.27158 -0.25336 -0.24683 -0.06514 -0.04421 -0.01299 -0.00750 0.00237 0.00557 0.01495 0.01760 0.01870 0.02192 0.02861 0.03087 0.03666 0.03765 0.04037 0.04612 0.04732 0.04976 0.05853 0.05992 0.06419 0.06632 0.07499 0.07619 0.07931 0.08685 0.08881 0.09090 0.09203 0.09878 0.10084 0.10466 0.10666 0.10899 0.11424 0.11884 0.12079 0.12805 0.12974 0.13535 0.13613 0.13866 0.13949 0.14374 0.14782 0.15066 0.15487 0.16025 0.16117 0.16537 0.16740 0.17187 0.17348 0.17857 0.18081 0.18136 0.18435 0.18975 0.19027 0.19339 0.19743 0.20022 0.20485 0.20737 0.20980 0.21321 0.21449 0.21842 0.21884 0.22073 0.22352 0.22899 0.23198 0.23733 0.24046 0.24326 0.24413 0.24652 0.24885 0.25101 0.25315 0.25766 0.25938 0.26227 0.26442 0.27011 0.27200 0.27429 0.28044 0.28198 0.28507 0.28717 0.29064 0.29354 0.29493 0.29864 0.30323 0.30582 0.30760 0.31413 0.31765 0.32008 0.32470 0.32698 0.33044 0.33453 0.33883 0.33926 0.34399 0.34647 0.35141 0.35415 0.35833 0.36284 0.36597 0.37010 0.37621 0.37735 0.38104 0.38294 0.38635 0.39241 0.39723 0.40078 0.40289 0.40841 0.41291 0.42367 0.42546 0.42993 0.43266 0.43491 0.43894 0.44252 0.44895 0.44928 0.45496 0.45749 0.46306 0.46709 0.47046 0.47267 0.47891 0.48341 0.48607 0.49452 0.49680 0.50428 0.50859 0.51222 0.51449 0.51727 0.52091 0.52105 0.52926 0.53341 0.53705 0.54025 0.54847 0.55296 0.55694 0.56104 0.56336 0.56821 0.57118 0.57962 0.58107 0.58604 0.58721 0.59000 0.59332 0.59622 0.60026 0.60481 0.60786 0.61458 0.61819 0.62131 0.62573 0.62817 0.63374 0.63777 0.64097 0.64541 0.64808 0.65214 0.66011 0.66243 0.66534 0.66873 0.67463 0.67721 0.68189 0.68371 0.68834 0.69270 0.69355 0.70033 0.70459 0.71255 0.71336 0.71863 0.72197 0.72355 0.72934 0.73513 0.74112 0.74427 0.74833 0.75902 0.76401 0.76427 0.76825 0.77715 0.78376 0.78593 0.79764 0.79985 0.80479 0.80875 0.81213 0.81700 0.82082 0.82674 0.83089 0.83491 0.83969 0.84622 0.84736 0.85242 0.86138 0.86833 0.87523 0.87767 0.88247 0.88380 0.89131 0.89702 0.89990 0.91108 0.91731 0.91810 0.92166 0.92373 0.93945 0.94042 0.94710 0.95498 0.95922 0.96744 0.97710 0.98130 0.98719 0.99274 0.99483 1.00072 1.00331 1.01112 1.01568 1.02589 1.03859 1.03975 1.04790 1.05146 1.05265 1.05820 1.06144 1.07000 1.07298 1.07846 1.08622 1.09140 1.09399 1.10289 1.11179 1.11986 1.12132 1.12603 1.13117 1.13430 1.13867 1.14254 1.14491 1.14931 1.15229 1.16197 1.16338 1.16843 1.17437 1.17773 1.18484 1.18868 1.18995 1.19219 1.19872 1.20163 1.21061 1.21502 1.21766 1.22021 1.22650 1.23121 1.23542 1.23836 1.24218 1.24807 1.25783 1.26266 1.26489 1.27292 1.27849 1.28147 1.28286 1.29485 1.30002 1.30257 1.30427 1.31192 1.31380 1.32152 1.32597 1.33315 1.33901 1.34318 1.34848 1.35206 1.35984 1.36453 1.36638 1.37637 1.38642 1.38874 1.39225 1.39418 1.39839 1.40537 1.41162 1.42042 1.42382 1.42715 1.43347 1.43953 1.44692 1.45733 1.46025 1.46485 1.46871 1.47273 1.47476 1.48246 1.48757 1.49294 1.49851 1.50012 1.51166 1.51948 1.52567 1.53036 1.53417 1.53887 1.54096 1.55190 1.56221 1.56555 1.56981 1.57419 1.57658 1.58753 1.59184 1.60095 1.61177 1.61680 1.61949 1.62845 1.64107 1.64423 1.65323 1.66004 1.66438 1.66982 1.68766 1.69301 1.70526 1.71031 1.71881 1.72801 1.73715 1.74359 1.74425 1.75125 1.76432 1.77080 1.77980 1.79930 1.80256 1.81646 1.82708 1.84060 1.84203 1.85821 1.86426 1.87275 1.88054 1.89535 1.90436 1.91186 1.92199 1.92415 1.93806 1.94302 1.95477 1.95727 1.96618 1.96967 1.98387 1.98929 2.00109 2.00947 2.01344 2.02408 2.03494 2.03934 2.04551 2.05981 2.07043 2.07693 2.08574 2.08773 2.09511 2.09905 2.11623 2.12723 2.13281 2.13749 2.14099 2.14371 2.16050 2.17426 2.18100 2.18238 2.19170 2.19800 2.20866 2.21598 2.21889 2.23263 2.24154 2.24821 2.25912 2.27403 2.28467 2.29576 2.32026 2.32276 2.34410 2.35776 2.36694 2.37424 2.40190 2.41361 2.41833 2.42506 2.43509 2.43813 2.45890 2.47750 2.48682 2.51004 2.51559 2.52202 2.54152 2.56695 2.57024 2.58738 2.59743 2.62068 2.64768 2.65531 2.66257 2.68453 2.69371 2.69949 2.71393 2.73097 2.73791 2.73946 2.75344 2.77055 2.77334 2.79111 2.80061 2.81677 2.82831 2.83749 2.84076 2.84205 2.85659 2.85971 2.87519 2.88192 2.88515 2.89201 2.90242 2.91301 2.91818 2.92086 2.92741 2.93245 2.93774 2.94181 2.94915 2.95332 2.95870 2.96468 2.98263 2.98470 2.99491 3.00023 3.00678 3.01349 3.02501 3.02989 3.03922 3.04560 3.05050 3.05821 3.06053 3.06865 3.09186 3.09409 3.11473 3.11812 3.12711 3.13456 3.14455 3.14847 3.15567 3.16444 3.17042 3.17454 3.18224 3.19124 3.19791 3.20378 3.20828 3.21697 3.22769 3.23700 3.24078 3.25438 3.26344 3.27271 3.28270 3.29218 3.29356 3.30132 3.31023 3.31320 3.31986 3.32337 3.33310 3.33990 3.35077 3.35304 3.36198 3.37002 3.37582 3.38158 3.39473 3.40433 3.40563 3.41070 3.42065 3.43361 3.44740 3.45278 3.45633 3.47296 3.47940 3.48550 3.49876 3.50503 3.51141 3.51950 3.52786 3.53372 3.54494 3.55576 3.56261 3.57154 3.57684 3.59189 3.59993 3.61112 3.61321 3.61729 3.64066 3.64774 3.66605 3.67917 3.68798 3.70108 3.70391 3.71290 3.72080 3.72713 3.73889 3.74802 3.75205 3.75571 3.77076 3.78583 3.79234 3.79972 3.81888 3.82991 3.83489 3.85098 3.86073 3.86519 3.89021 3.89130 3.90941 3.91383 3.91951 3.92159 3.94850 3.95399 3.96269 3.96777 3.97914 3.99987 4.01424 4.02009 4.02863 4.03169 4.06496 4.08097 4.08649 4.10806 4.12169 4.13525 4.13836 4.15543 4.18522 4.19195 4.19354 4.21184 4.22434 4.23960 4.24387 4.25104 4.25402 4.26722 4.27451 4.28162 4.29457 4.30357 4.30501 4.31477 4.32625 4.33037 4.33339 4.34163 4.34821 4.35182 4.36071 4.37586 4.38189 4.38889 4.39326 4.39667 4.40503 4.41194 4.42163 4.42966 4.43522 4.44260 4.44915 4.45705 4.46771 4.47954 4.48951 4.49295 4.50145 4.50775 4.51170 4.53261 4.54860 4.55738 4.57016 4.57999 4.58127 4.59337 4.60782 4.61133 4.62347 4.62766 4.64101 4.65225 4.65874 4.68495 4.68970 4.70444 4.71310 4.72337 4.72734 4.74677 4.75229 4.76808 4.77722 4.79736 4.80859 4.81160 4.84154 4.85345 4.86324 4.87336 4.88259 4.89772 4.92585 4.94219 4.98015 4.99225 5.03128 5.07934 5.08916 5.09264 5.13323 5.13371 5.14031 5.15240 5.19507 5.20522 5.22196 5.23149 5.24900 5.29149 5.34431 5.37448 5.42375 5.44090 5.46068 5.46711 5.49861 5.50557 5.50743 5.53503 5.56954 5.58016 5.63050 5.64012 5.65300 5.65800 5.67837 5.68605 5.73682 5.74467 5.75271 5.76670 5.77341 5.78179 5.79088 5.81660 5.82813 5.82983 5.83403 5.84213 5.85639 5.86596 5.88651 5.88971 5.90063 5.92429 5.99958 6.03256 6.06254 6.11339 6.14015 6.16166 6.26167 6.36470 6.38501 6.40168 6.48556 6.50390 6.55988 6.81222 6.88339 6.96901 7.00437 7.11056 7.14105 7.17019 7.18181 7.19484 7.20717 7.25472 7.26690 7.27865 7.28396 7.30504 7.30965 7.31565 7.32042 7.32880 7.32996 7.33763 7.35490 7.35997 7.36527 7.39836 7.40415 7.42673 7.44148 7.45856 7.48244 7.48537 7.51063 7.53250 7.54068 7.58184 7.60412 7.62013 7.62689 7.63575 7.67490 7.68956 7.70210 7.72202 7.72321 7.75245 7.77793 7.79014 7.83597 7.86095 7.87019 7.90805 7.92498 7.93354 7.94950 7.95146 7.96621 7.99121 7.99817 8.02888 8.03232 8.07315 8.10342 8.13778 8.14505 8.14824 8.15697 8.17830 8.21333 8.23712 8.25026 8.31366 8.32287 8.36546 8.40470 8.44287 8.46232 8.50089 8.60871 8.61014 8.64415 8.77349 8.83993 8.90329 9.38399 10.41924 10.48858 10.57144 10.65490 10.77430 10.91247 11.12794 11.22367 11.31442 11.78551 14.42002 14.44099 14.45445 14.46454 14.47342 14.50650 14.54104 14.71438 14.71535 14.78346 14.86220 14.93770 15.07919 15.11289 15.22090 24.07796 24.29912 24.33202 24.39193 24.41230 24.41825 24.51987 24.53632 24.94942 24.98279 25.12157 25.14185 25.23793 25.36106 25.40199 25.76130 36.15968 36.45459 50.21527 50.50057 50.51030 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 O O O N N C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.841685 -0.551300 -0.694766 -0.866796 -0.873676 -0.319691 0.099396 1.334049 -0.276450 -0.475648 -0.496735 0.682990 0.361197 0.273337 -0.141520 -0.658502 0.577529 -0.265604 0.657590 -0.563780 -0.049676 0.124933 0.161122 0.157096 0.186925 0.164066 0.139428 0.160000 0.140491 0.147866 0.162571 0.192937 0.153650 0.138220 0.128252 0.175158 0.142336 0.145825 0.144699 0.163754 0.160412 -0.00000 5.3023 -0.5749 1.4366 5.5235 -120.7448 -110.5732 -133.9008 -2.3801 -8.5773 2.8159 0.9948 11.1664 -12.1612 -2.3801 -8.5773 2.8159 93.0889 46.8537 -4.2095 34.9874 8.8905 45.6197 23.7624 4.4735 4.3559 4.7415 -5789.1878 -2065.1050 -933.6152 -47.8010 -103.5595 90.2087 47.5425 -24.4049 10.1521 -1269.9413 -1260.4318 -542.6669 -42.8198 18.7995 8.8936 (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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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) GINC-BELVIS10 APULGAR 2022-06-01T00:00:00.000 0 Single Point imazamethabenz_methyl_m CONF56 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-957.3339734 RMSD=9.093e-09 Dipole=2.0673152,-0.4422654,0.5030104 Quadrupole=0.5171015,7.4144902,-7.9315917,-0.3296096,-6.353983,4.9226246 PG=C01 [X(C16H20N2O3)] 0 -3.3763031751 0.0639130777 -2.183832181 0 2.4667017896 2.2288289772 0.8643148186 0 0.8113519024 2.1110536765 -0.6580476048 0 -1.1647050497 0.0628942903 0.6320296456 0 -1.211076142 -0.4931730116 -1.5563725348 0 -2.5119823774 0.3990416379 0.1290382739 0 -3.61939561 -0.3813225891 0.8879198336 0 -2.4963322643 -0.0137750972 -1.3575738116 0 -2.6927785806 1.9257554471 0.1855015782 0 -3.4287979516 -1.8996128097 0.7526472944 0 -3.7005438009 0.0174121239 2.3668766641 0 -0.4957057494 -0.3842614606 -0.358492345 0 0.9209615629 -0.811937755 -0.2950959723 0 1.9480234405 0.1018965342 -0.0118768261 0 1.2398283249 -2.1607724155 -0.4512096336 0 3.2583392302 -0.3550708198 0.1450398422 0 3.5824422539 -1.7057541961 -0.0037832059 0 2.5536312254 -2.6001753318 -0.3130042146 0 1.6528644228 1.5670897906 0.0185648265 0 4.9992148985 -2.1859224766 0.1917398106 0 2.2706094585 3.6554699354 0.9274767334 0 -4.5578595124 -0.1091121323 0.390785694 0 -3.6721923082 2.1982073583 -0.2145195756 0 -2.6048239558 2.2764093395 1.2137051126 0 -1.916043951 2.4160985777 -0.4050814433 0 -2.4854467971 -2.2108993937 1.2101894429 0 -4.2397417021 -2.4299497693 1.2584823065 0 -3.429649873 -2.2192097724 -0.2929417964 0 -4.4615532314 -0.5823096729 2.8740444797 0 -3.9701344248 1.0671488897 2.4983723762 0 -2.7419099786 -0.1548351859 2.8625885787 0 -0.8217413763 -0.7159362633 -2.4601518237 0 0.449204533 -2.8731725109 -0.6590808269 0 4.0363235778 0.3641381042 0.3709823424 0 2.7789683783 -3.6542084194 -0.4372373324 0 5.1769102368 -2.4424639564 1.2415393845 0 5.204316663 -3.0780646471 -0.4041058339 0 5.7232738052 -1.4164896737 -0.0850135572 0 2.999211111 4.0162993618 1.6499957722 0 1.2553104373 3.8818832278 1.2562952025 0 2.438815116 4.1066106425 -0.0518618979