Gaussian 09 GINC-KIMIK2133 CBGUSER 000070444 EM64L-G09RevD.01 9-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 201.07496099999992 0 1 AuxInfo=1/0/N:9,10,13,14,7,8,11,12,6,5,4,2,3,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)/CRV:11.1,14.4/rA:36P4OOO1NCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s1s5;s5;s5;s7;s8;s2;s3;s11;s12;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-1110.inp" -scrdir="/scratch/" chk=000070444.chk nprocshared=8 mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000070444 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 31 16 16 16 14 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 1 1 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 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 1.0078250 1.0078250 1 0 0 0 2 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 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 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 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 1 1 1 1 2 3 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 2 3 4 6 11 12 6 7 8 15 16 9 17 18 10 19 20 21 22 23 24 25 26 13 27 28 14 29 30 31 32 33 34 35 36 1.6215 1.62 1.5028 1.7858 1.4171 1.4169 1.4647 1.4644 1.4664 1.0956 1.0906 1.5193 1.0789 1.0964 1.5192 1.0947 1.0975 1.0944 1.0957 1.0965 1.0943 1.0954 1.0962 1.5138 1.0921 1.0939 1.5138 1.093 1.0944 1.0936 1.0949 1.0951 1.0935 1.095 1.095 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 2 3 3 4 1 1 6 6 7 1 1 1 5 5 15 5 5 5 9 9 17 5 5 5 10 10 19 7 7 7 21 21 22 8 8 8 24 24 25 2 2 2 13 13 27 3 3 3 14 14 29 11 11 11 31 31 32 12 12 12 34 34 35 1 1 1 1 1 1 2 3 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 3 4 6 4 6 6 11 12 7 8 8 5 15 16 15 16 16 9 17 18 17 18 18 10 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 13 27 28 27 28 28 14 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 103.5123 113.1638 104.4768 114.7166 104.904 114.8451 120.7775 118.5614 112.3888 109.6234 109.1696 105.1377 111.0431 107.3213 110.962 114.3947 107.9307 111.1836 113.1305 112.6627 99.8354 110.576 108.7345 111.1838 110.7159 111.9917 105.4046 109.5508 107.7299 112.4718 111.8984 109.7688 109.0018 106.1979 107.2134 112.6768 111.9493 109.3729 109.2547 106.1863 107.0909 109.0107 110.2168 109.5752 109.0613 109.9896 108.9764 109.0093 109.9684 109.2565 109.2082 110.4138 108.9752 110.9578 110.617 110.6042 108.821 108.8259 106.9011 110.9493 110.6027 110.6139 108.8249 108.8494 106.8872 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 4 6 2 4 6 2 2 2 3 3 3 4 4 4 1 1 1 1 1 1 7 7 7 8 8 8 6 6 6 8 8 8 6 6 6 7 7 7 5 5 5 17 17 17 18 18 18 5 5 5 19 19 19 20 20 20 2 2 2 27 27 27 28 28 28 3 3 3 29 29 29 30 30 30 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 2 2 2 3 3 3 6 6 6 6 6 6 6 6 6 11 11 11 12 12 12 6 6 6 6 6 6 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 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 11 11 11 12 12 12 5 15 16 5 15 16 5 15 16 13 27 28 14 29 30 1 15 16 1 15 16 9 17 18 9 17 18 10 19 20 10 19 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 -49.587 -174.3761 60.0002 169.2654 -66.9568 59.9958 64.5576 -175.365 -57.6211 173.1259 -66.7968 50.9472 -60.0005 60.0769 177.8208 179.999 -60.3328 59.5836 179.9988 -60.3043 59.2595 64.345 -55.7861 -178.1805 -174.0602 65.8087 -56.5857 -178.1525 -66.7597 57.0781 59.9942 171.3869 -64.7752 56.4882 173.3051 -66.439 179.9969 -63.1861 57.0698 -75.851 47.2435 166.1505 164.4946 -72.4109 46.496 50.0842 173.1788 -67.9143 -76.9143 46.7078 165.235 163.0665 -73.3114 45.2159 47.4052 171.0273 -70.4455 -179.9176 -59.0402 59.2073 59.7007 -179.4219 -61.1744 -59.7575 61.12 179.3674 -179.9741 -59.1069 59.1204 59.8592 -179.2737 -61.0464 -59.9468 60.9203 179.1477 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 185 216 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 8778 NPrTT= 42554 LenC2= 8207 LenP2D= 25913. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 192 RedAO= T EigKep= 2.75D-03 NBF= 192 NBsUse= 192 1.00D-06 EigRej= -1.00D+00 NBFU= 192 Using GEDIIS/GDIIS optimizer. local minimum Step number 59 out of a maximum of 185 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00103 0.00125 0.00186 0.00258 0.00296 0.00462 0.00552 0.00588 0.00714 0.00805 0.00964 0.01183 0.01591 0.04091 0.04722 0.05079 0.05316 0.05386 0.05526 0.05588 0.05649 0.05655 0.05712 0.05748 0.05763 0.05772 0.05783 0.05815 0.05837 0.05889 0.06171 0.06820 0.07667 0.09453 0.10061 0.10589 0.11172 0.11443 0.12787 0.13094 0.13345 0.13520 0.13621 0.13934 0.15028 0.15302 0.15629 0.15899 0.15923 0.16002 0.16051 0.16061 0.16143 0.16207 0.16362 0.16416 0.16650 0.17225 0.18336 0.20014 0.21387 0.22422 0.23023 0.23521 0.24493 0.26307 0.28431 0.29763 0.30596 0.31170 0.31509 0.32129 0.33544 0.33912 0.34073 0.34129 0.34165 0.34201 0.34234 0.34241 0.34245 0.34259 0.34308 0.34365 0.34406 0.34424 0.34430 0.34498 0.34566 0.34684 0.34818 0.35038 0.35297 0.35778 0.37165 0.37699 0.39073 0.39936 0.43141 0.45426 0.52738 0.69329 RFO step: Lambda=-3.80514446D-08. 1 2 3 0.00112656 0.00000104 0.00000000 0.00000089 0.00000034 0.00000034 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 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 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 3.35490 3.33126 3.01745 3.79614 2.80606 2.81689 2.67144 2.79868 2.79237 2.08496 2.08827 2.92602 2.09211 2.09681 2.92917 2.09059 2.09888 2.08860 2.08664 2.09136 2.08836 2.08397 2.09117 2.88795 2.09904 2.09291 2.88701 2.09218 2.09233 2.09075 2.08462 2.08509 2.09078 2.08598 2.08506 1.81243 1.89556 1.92602 1.99501 1.71303 2.09733 2.08694 2.07183 2.09398 2.08198 2.07664 2.06364 1.74967 1.80047 1.96100 1.95616 1.91586 2.02912 1.86994 1.87978 1.90592 1.90921 1.86274 2.02892 1.86696 1.88723 1.91198 1.89971 1.86200 1.94119 1.93764 1.91076 1.89540 1.87605 1.90136 1.95269 1.94715 1.91195 1.87758 1.88174 1.89046 1.85909 1.91409 1.91610 1.93298 1.94874 1.89273 1.87364 1.90410 1.88820 1.95089 1.94519 1.90035 1.92555 1.92674 1.92904 1.89781 1.89539 1.88842 1.92159 1.93246 1.93007 1.89158 1.89400 1.89314 -0.73041 -2.86014 1.09011 -1.47645 0.58579 2.82752 1.67043 -2.47643 -0.49927 -2.72576 -0.58944 1.38773 -0.55552 1.58080 -2.72522 2.89372 -1.29683 0.78108 -2.58861 -0.47154 1.59332 1.40140 -0.62416 -2.79118 -1.47443 2.78319 0.61616 -1.70934 0.42706 2.42536 1.16730 -2.97948 -0.98118 1.22376 -2.91757 -0.91799 -1.65473 0.48712 2.48671 -1.14033 0.97232 3.07218 3.02546 -1.14508 0.95479 0.99275 3.10540 -1.07793 -1.06077 1.04363 3.13671 3.10430 -1.07449 1.01860 1.07444 -3.10435 -1.01126 3.12521 -1.05992 1.02868 1.04485 -3.14028 -1.05168 -1.06635 1.03171 3.12032 -3.09761 -1.00620 1.09268 1.09817 -3.09361 -0.99473 -1.03288 1.05852 -3.12578 0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00003 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 -0.00001 -0.00003 -0.00002 0.00004 0.00000 -0.00002 0.00002 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00003 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00000 0.00002 0.00000 0.00001 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00005 0.00003 0.00001 0.00007 -0.00004 -0.00001 -0.00005 -0.00004 -0.00002 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00002 -0.00002 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 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-0.00038 -0.00043 -0.00037 -0.00044 -0.00049 -0.00037 -0.00044 -0.00049 -0.00003 -0.00003 -0.00005 -0.00005 -0.00005 -0.00007 -0.00001 -0.00001 -0.00003 0.00011 0.00015 0.00010 0.00012 0.00016 0.00011 0.00010 0.00014 0.00009 0.00017 -0.00011 -0.00001 0.00024 -0.00008 -0.00008 -0.00006 -0.00001 -0.00001 -0.00002 -0.00004 -0.00003 -0.00001 0.00002 0.00004 0.00000 0.00000 0.00001 -0.00002 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00004 -0.00003 0.00004 -0.00003 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00005 0.00003 -0.00004 0.00007 0.00003 -0.00012 0.00002 0.00019 0.00002 0.00000 0.00002 -0.00008 -0.00011 0.00001 0.00011 0.00002 0.00004 0.00002 -0.00005 0.00001 0.00002 0.00001 -0.00001 0.00000 -0.00001 0.00005 0.00002 -0.00004 -0.00002 0.00001 -0.00002 -0.00002 0.00006 -0.00003 0.00000 0.00001 0.00002 -0.00001 0.00003 -0.00001 -0.00005 -0.00004 0.00006 0.00001 0.00005 0.00005 -0.00013 0.00002 -0.00002 0.00001 0.00007 -0.00002 -0.00006 0.00002 0.00000 -0.00002 0.00001 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0.00001 0.00006 0.00012 0.00016 0.00008 0.00016 -0.00050 0.00004 0.00030 0.00010 -0.00001 0.00002 -0.00010 -0.00020 0.00007 0.00007 0.00011 0.00002 -0.00002 -0.00001 0.00003 0.00001 0.00004 -0.00005 0.00000 0.00004 0.00002 0.00001 -0.00006 0.00000 -0.00002 -0.00004 -0.00001 0.00005 -0.00004 0.00006 0.00000 -0.00003 0.00003 0.00001 0.00007 -0.00008 -0.00007 0.00010 0.00003 0.00003 0.00009 -0.00018 -0.00004 -0.00002 0.00004 0.00011 -0.00004 -0.00005 0.00003 -0.00002 -0.00002 0.00002 0.00001 -0.00002 0.00014 -0.00017 0.00000 0.00004 0.00000 -0.00001 0.00166 0.00148 0.00192 -0.00071 -0.00048 -0.00095 -0.00033 -0.00044 -0.00047 -0.00015 -0.00026 -0.00029 -0.00021 -0.00032 -0.00035 0.00042 0.00047 0.00033 -0.00028 -0.00018 -0.00023 0.00055 0.00082 0.00066 0.00007 0.00034 0.00018 -0.00051 -0.00052 -0.00057 -0.00004 -0.00005 -0.00010 -0.00010 -0.00005 -0.00003 -0.00058 -0.00054 -0.00051 0.00028 0.00031 0.00035 0.00030 0.00033 0.00037 0.00033 0.00036 0.00040 -0.00069 -0.00070 -0.00080 -0.00075 -0.00076 -0.00086 -0.00072 -0.00073 -0.00083 0.00006 0.00010 0.00004 -0.00004 0.00000 -0.00006 0.00010 0.00014 0.00009 0.00028 0.00031 0.00019 0.00027 0.00030 0.00018 0.00029 0.00032 0.00019 3.35502 3.33119 3.01744 3.79646 2.80594 2.81679 2.67134 2.79864 2.79234 2.08495 2.08825 2.92597 2.09211 2.09683 2.92921 2.09059 2.09889 2.08861 2.08662 2.09135 2.08833 2.08398 2.09115 2.88797 2.09908 2.09288 2.88706 2.09216 2.09234 2.09073 2.08463 2.08509 2.09077 2.08597 2.08507 1.81249 1.89568 1.92618 1.99509 1.71319 2.09683 2.08697 2.07213 2.09408 2.08197 2.07666 2.06354 1.74947 1.80054 1.96107 1.95626 1.91587 2.02910 1.86992 1.87980 1.90593 1.90925 1.86269 2.02892 1.86700 1.88725 1.91199 1.89965 1.86199 1.94118 1.93760 1.91075 1.89545 1.87601 1.90142 1.95269 1.94713 1.91198 1.87758 1.88181 1.89038 1.85903 1.91419 1.91613 1.93301 1.94883 1.89255 1.87360 1.90408 1.88824 1.95100 1.94515 1.90030 1.92559 1.92672 1.92902 1.89783 1.89539 1.88840 1.92173 1.93228 1.93007 1.89162 1.89400 1.89313 -0.72876 -2.85867 1.09203 -1.47716 0.58531 2.82657 1.67010 -2.47687 -0.49973 -2.72592 -0.58970 1.38744 -0.55573 1.58048 -2.72556 2.89414 -1.29636 0.78141 -2.58888 -0.47172 1.59309 1.40195 -0.62334 -2.79052 -1.47437 2.78353 0.61635 -1.70986 0.42653 2.42479 1.16726 -2.97953 -0.98128 1.22367 -2.91762 -0.91802 -1.65531 0.48659 2.48619 -1.14004 0.97263 3.07253 3.02577 -1.14474 0.95516 0.99308 3.10575 -1.07753 -1.06146 1.04293 3.13591 3.10355 -1.07525 1.01774 1.07372 -3.10508 -1.01209 3.12527 -1.05982 1.02873 1.04481 -3.14029 -1.05173 -1.06624 1.03185 3.12040 -3.09733 -1.00589 1.09287 1.09844 -3.09331 -0.99455 -1.03260 1.05884 -3.12559 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000043 0.000009 0.006075 0.001127 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -9.758887e-08 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 1 1 1 1 2 3 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 2 3 4 6 11 12 6 7 8 15 16 9 17 18 10 19 20 21 22 23 24 25 26 13 27 28 14 29 30 31 32 33 34 35 36 1.7753 1.7628 1.5968 2.0088 1.4849 1.4906 1.4137 1.481 1.4777 1.1033 1.1051 1.5484 1.1071 1.1096 1.55 1.1063 1.1107 1.1052 1.1042 1.1067 1.1051 1.1028 1.1066 1.5282 1.1108 1.1075 1.5277 1.1071 1.1072 1.1064 1.1031 1.1034 1.1064 1.1039 1.1034 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 4 1 1 6 6 7 1 1 1 5 5 15 5 5 5 9 9 17 5 5 5 10 10 19 7 7 7 21 21 22 8 8 8 24 24 25 2 2 2 13 13 27 3 3 3 14 14 29 11 11 11 31 31 32 12 12 12 34 34 35 1 1 1 1 1 1 2 3 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 3 4 6 4 6 6 11 12 7 8 8 5 15 16 15 16 16 9 17 18 17 18 18 10 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 13 27 28 27 28 28 14 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 103.8449 108.6078 110.3529 114.3057 98.1494 120.1681 119.5726 118.707 119.9762 119.2885 118.983 118.2376 100.2489 103.1593 112.3569 112.0794 109.7704 116.2601 107.1394 107.7034 109.201 109.3898 106.7271 116.2485 106.9689 108.1305 109.5484 108.8456 106.6845 111.2222 111.0184 109.4786 108.5982 107.4897 108.9401 111.8807 111.5635 109.5465 107.5772 107.8156 108.3153 106.5182 109.6691 109.7844 110.7514 111.6548 108.4454 107.3515 109.0967 108.186 111.7776 111.4511 108.8818 110.3261 110.394 110.5258 108.7364 108.5976 108.1986 110.099 110.7217 110.5847 108.3794 108.5184 108.4689 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 4 6 2 4 6 2 2 2 3 3 3 4 4 4 1 1 1 1 1 1 7 7 7 8 8 8 6 6 6 8 8 8 6 6 6 7 7 7 5 5 5 17 17 17 18 18 18 5 5 5 19 19 19 20 20 20 2 2 2 27 27 27 28 28 28 3 3 3 29 29 29 30 30 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 2 2 2 3 3 3 6 6 6 6 6 6 6 6 6 11 11 11 12 12 12 6 6 6 6 6 6 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 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 11 11 11 12 12 12 5 15 16 5 15 16 5 15 16 13 27 28 14 29 30 1 15 16 1 15 16 9 17 18 9 17 18 10 19 20 10 19 20 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 -41.8496 -163.8741 62.4589 -84.5946 33.5635 162.0049 95.7085 -141.8893 -28.6058 -156.1747 -33.7725 79.5109 -31.8291 90.5731 -156.1435 165.7981 -74.3032 44.7525 -148.3161 -27.017 91.2906 80.2946 -35.7617 -159.923 -84.4788 159.465 35.3036 -97.9381 24.4685 138.9628 66.8815 -170.7118 -56.2175 70.1165 -167.1644 -52.5969 -94.8089 27.9101 142.4777 -65.3359 55.7099 176.0232 173.3462 -65.608 54.7053 56.8803 177.9261 -61.7606 -60.7776 59.7955 179.7204 177.8633 -61.5636 58.3614 61.5608 -177.8661 -57.9412 179.0611 -60.729 58.9393 59.8653 -179.9248 -60.2565 -61.0972 59.1127 178.781 -177.4799 -57.6512 62.6058 62.9206 -177.2507 -56.9937 -59.1799 60.6489 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 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 0 201.07496099999992 AuxInfo=1/0/N:9,10,13,14,7,8,11,12,6,5,4,2,3,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)/CRV:11.1,14.4/rA:36P4OOO1NCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s1s5;s5;s5;s7;s8;s2;s3;s11;s12;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.621534 0.000000 1.619967 2.545820 0.000000 1.502798 2.608618 2.630315 0.000000 2.588489 3.029887 3.940338 3.125504 0.000000 1.785758 2.695565 2.702096 2.775334 1.464679 0.000000 2.996290 3.693918 4.478885 2.773034 1.464377 2.433841 0.000000 3.935621 4.311130 5.082947 4.535786 1.466429 2.395486 2.388531 0.000000 4.320071 4.637504 5.883359 3.993487 2.461836 3.779873 1.519311 2.861377 0.000000 4.418919 4.517455 5.255606 5.399127 2.463467 2.835258 3.751012 1.519249 4.259597 0.000000 2.643682 1.417065 2.983850 3.920454 3.663954 3.188741 4.693651 4.629162 5.585243 4.353812 0.000000 2.612789 3.879741 1.416893 3.262257 4.530808 3.158821 4.934025 5.485641 6.437268 5.708190 4.290651 0.000000 3.935030 2.386892 4.376196 4.976801 4.668599 4.529956 5.621277 5.548817 6.209609 5.208474 1.513811 5.736596 0.000000 3.918196 4.891924 2.386738 4.616534 5.927139 4.506518 6.431347 6.809990 7.927191 6.816055 5.015028 1.513816 6.368197 0.000000 2.407131 3.659329 2.995518 3.068131 2.119850 1.095594 2.674226 2.704573 4.101128 3.276093 4.187918 2.937990 5.584859 4.316539 0.000000 2.353284 2.850896 2.804852 3.646785 2.157337 1.090574 3.409267 2.679527 4.614621 2.484204 2.820970 3.307640 4.190591 4.404242 1.767872 0.000000 2.639662 3.304383 4.177037 1.998693 2.132976 2.782316 1.078868 3.351997 2.008047 4.581771 4.528010 4.756124 5.388096 6.233173 3.119634 3.793639 0.000000 3.437822 4.473837 4.703154 3.086094 2.140974 2.710152 1.096408 2.712346 2.163630 4.118067 5.454716 4.839449 6.527247 6.344596 2.484550 3.724133 1.768025 0.000000 4.696966 4.862164 5.988678 5.135704 2.117628 3.355456 2.670901 1.094658 2.510287 2.095214 5.212734 6.486032 5.899083 7.838050 3.727138 3.668420 3.625750 3.122633 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AuxInfo=1/0/N:9,10,6,7,8,5;13,14,11,12,4,2,3,1/E:(1,2)(4,5);(1,2)(3,4)(6,7)/CRV:3.3;5.1/rA:36POOO1NC3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s5;s5;s5;s7;s8;s2;s3;s11;s12;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.775335 0.000000 1.762828 2.785170 0.000000 1.596764 2.740541 2.823899 0.000000 2.953145 3.948673 4.140421 3.556196 0.000000 2.008833 3.109339 2.854286 3.131930 1.413667 0.000000 3.694270 5.015388 4.772280 3.770757 1.480998 2.506779 0.000000 3.726069 4.125906 5.143051 4.291730 1.477660 2.495148 2.549043 0.000000 3.922127 5.181807 5.218836 3.358556 2.572945 3.485409 1.548384 3.239734 0.000000 3.613830 3.539534 5.277938 3.902441 2.571399 3.230577 3.494582 1.550048 3.560134 0.000000 2.821137 1.484902 3.144720 4.101131 4.671783 3.640006 5.925118 4.778226 6.372304 4.410596 0.000000 2.802483 3.561919 1.490632 3.239005 5.461855 4.271584 5.907526 6.458367 6.086962 6.401104 3.967865 0.000000 4.090536 2.414716 4.459705 5.082199 5.970630 5.080603 7.229873 5.831584 7.513485 5.155799 1.528239 4.963542 0.000000 4.019328 4.979110 2.431933 4.444601 6.268497 5.060437 6.543686 7.441913 6.858677 7.614883 5.207978 1.527738 6.264402 0.000000 2.457927 3.841904 2.664825 3.487120 2.098168 1.103313 2.680380 3.420425 3.780407 4.285567 4.268047 4.034251 5.775358 4.504987 0.000000 2.503466 3.010930 3.133837 3.893813 2.096201 1.105067 3.429584 2.658543 4.469080 3.372852 3.102160 4.608353 4.530358 5.418803 1.806458 0.000000 3.706703 5.261075 4.396645 3.840489 2.094135 2.564872 1.107098 3.443252 2.179613 4.411475 6.094367 5.466057 7.496621 5.872343 2.264608 3.558114 0.000000 4.735553 5.948068 5.779591 4.860719 2.103318 3.308155 1.109585 2.773430 2.183905 3.936368 6.765381 6.965623 8.055871 7.533662 3.451604 4.055100 1.778752 0.000000 4.686907 5.189585 6.099603 5.047165 2.088433 3.375568 2.591590 1.106291 3.204884 2.184968 5.882168 7.395287 6.900937 8.314582 4.142604 3.634555 3.606905 2.393602 0.000000 4.127802 4.273569 5.344495 5.005002 2.106777 2.716215 3.379026 1.110677 4.289944 2.179099 4.576663 6.745480 5.603275 7.692041 3.619280 2.423903 4.114371 3.494440 1.778490 0.000000 4.450022 5.404581 5.945413 3.878046 2.909095 4.019089 2.204088 3.042469 1.105239 3.115140 6.614078 6.843378 7.615863 7.750275 4.534514 4.857238 3.105222 2.519189 2.803594 4.145848 0.000000 3.210569 4.497579 4.524279 2.349069 2.835890 3.350157 2.200727 3.581441 1.104200 3.578975 5.796095 5.227862 6.883929 6.095395 3.660781 4.361319 2.568022 3.108561 3.840144 4.599371 1.794229 0.000000 4.800254 6.179724 5.913886 4.091294 3.498009 4.369670 2.182908 4.240983 1.106698 4.636361 7.380167 6.661571 8.547136 7.267529 4.454638 5.398119 2.475177 2.524979 4.048856 5.265579 1.783687 1.799256 0.000000 2.978768 2.517708 4.598955 3.474207 2.884687 3.034129 3.997189 2.213750 4.102557 1.105112 3.375285 5.665061 4.065592 6.964976 4.119745 3.019177 4.734443 4.630560 3.116691 2.552517 3.861974 3.849048 5.206354 0.000000 3.716614 3.873822 5.461484 3.534981 2.871738 3.638463 3.358569 2.208008 2.947748 1.102791 5.005475 6.428332 5.722928 7.651057 4.589637 4.057895 4.303006 3.867994 2.555095 3.109110 2.358415 2.898348 3.970743 1.781431 0.000000 4.639664 4.290739 6.276054 4.937873 3.497483 4.206798 4.400974 2.185172 4.451124 1.106598 4.991137 7.397960 5.508245 8.645599 5.273912 4.173086 5.379198 4.651548 2.505981 2.494556 3.817615 4.568475 5.475003 1.787217 1.791001 0.000000 3.175562 2.132849 3.616236 4.591277 4.268814 3.334092 5.654426 4.225723 6.306760 4.080173 1.110764 4.707146 2.184540 5.817856 4.037052 2.528400 5.889959 6.360320 5.309030 3.805837 6.493937 5.911115 7.341938 3.164237 4.870441 4.563441 0.000000 2.944513 2.131864 2.602909 4.296089 5.056602 3.816626 6.215698 5.433461 6.746233 5.263477 1.107522 3.302182 2.193461 4.375800 4.169523 3.326418 6.187734 7.095808 6.534864 5.234572 7.147016 6.127959 7.676877 4.282483 5.802322 5.944864 1.799686 0.000000 2.809052 3.682384 2.127813 2.657301 5.488992 4.497552 5.751565 6.465368 5.652314 6.263362 4.442820 1.107135 5.341624 2.194260 4.349047 5.020030 5.368923 6.847614 7.336844 6.919184 6.388355 4.688550 6.160045 5.592602 6.104408 7.279007 5.231082 3.999182 0.000000 3.281543 3.472234 2.116158 3.825699 6.101130 4.864456 6.721995 6.928026 6.892246 6.717812 3.624323 1.107215 4.353039 2.190233 4.780703 5.000191 6.382586 7.777672 7.933529 7.117559 7.548638 6.005986 7.552304 5.849116 6.821508 7.630344 4.512564 2.880746 1.801409 0.000000 4.957466 3.392290 5.088350 6.080820 6.685955 5.736495 8.013033 6.525164 8.432292 5.980762 2.175827 5.595013 1.106375 6.750989 6.364695 5.031963 8.240348 8.787580 7.590395 6.135236 8.550571 7.853861 9.470314 4.927337 6.652369 6.253098 2.528123 2.547898 6.121404 4.901931 0.000000 4.266375 2.666056 4.505457 5.016809 6.541595 5.612784 7.676637 6.521351 7.798871 5.741207 2.174251 4.673578 1.103134 6.010461 6.230624 5.226546 7.884807 8.585949 7.587185 6.434500 7.944633 7.042841 8.783055 4.636919 6.136859 6.164572 3.100752 2.534674 4.952741 3.919191 1.795840 0.000000 4.412825 2.653201 5.144026 5.250686 5.943213 5.286562 7.215856 5.548420 7.404452 4.671419 2.176110 5.736783 1.103384 7.114469 6.132197 4.754084 7.638903 7.976828 6.553861 5.335650 7.346063 6.835451 8.473300 3.620605 5.251094 4.841471 2.532130 3.107136 5.972192 5.222766 1.794483 1.787356 0.000000 4.890506 5.719697 3.404691 5.103262 7.280280 6.103874 7.495810 8.431917 7.673720 8.500125 5.963688 2.172510 6.849754 1.106395 5.582100 6.473736 6.824610 8.506276 9.304506 8.718999 8.559391 6.841011 8.024576 7.816154 8.468377 9.525098 6.681722 5.117522 2.557413 2.528573 7.323092 6.439082 7.725108 0.000000 4.413346 5.225920 2.664855 5.153023 6.484639 5.178251 6.903286 7.632710 7.428592 7.921825 5.153153 2.178503 6.231466 1.103855 4.569473 5.346656 6.214440 7.828773 8.535312 7.729738 8.309909 6.756728 7.890750 7.242771 8.101384 8.913059 5.654115 4.191099 3.109348 2.546036 6.551336 6.084427 7.159853 1.792422 0.000000 4.103146 5.384306 2.703622 4.375582 5.960905 4.883291 6.012708 7.259195 6.335618 7.574175 5.774581 2.176402 6.964654 1.103367 4.171901 5.410614 5.222652 6.958324 8.029744 7.592386 7.309897 5.652071 6.610990 7.066276 7.538543 8.647158 6.267674 5.039943 2.525716 3.105261 7.513896 6.793841 7.732497 1.793593 1.790974 0.000000 0.6650941 0.4076249 0.2973409 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 188 188 188 189 189 MxSgAt= 36 MxSgA2= 36. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 8778 NPrTT= 42554 LenC2= 8098 LenP2D= 25317. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 192 RedAO= T EigKep= 4.85D-03 NBF= 192 NBsUse= 192 1.00D-06 EigRej= -1.00D+00 NBFU= 192 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 188 188 188 188 188 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -976.276010095023 -976.200708141292 0.075301953731 -976.594940670343 -0.394232529051 -975.332677576020 1.262263094323 -976.739758307003 -1.407080730983 -976.832013098938 -0.092254791936 -976.832658911061 -0.000645812123 -976.832960861146 -0.000301950085 -976.832990393056 -0.000029531910 -976.833057261733 -0.000066868677 -976.833054340025 0.000002921708 -976.833058023163 -0.000003683139 -976.833058032025 -0.000000008862 -976.833058054680 -0.000000022655 -976.833058055839 -0.000000001159 -976.833058055889 -0.000000000050 -976.833058055889 0.000000000000 -976.833058056 17 9.743651786783e+02 -4.690945565239e+03 1.541993123151e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=175378990. IVT= 131902 IEndB= 131902 NGot= 4160749568 MDV= 3988965011 LenX= 3988965011 LenY= 3988927706 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18528 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.08538674e-02 9.07773063e-02 -2.17884508e+00 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 15 8 8 8 7 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 1 1 -0.016652175 -0.002927831 -0.017731746 -0.004578230 -0.031762572 0.030009091 0.049155721 -0.027617091 -0.015994834 -0.002340413 0.044958156 0.076991865 -0.007053657 -0.002979833 -0.009866144 -0.014685865 0.006930899 -0.008076104 -0.020971009 -0.008588400 0.020489903 -0.003756063 -0.020323104 -0.009233896 -0.017345575 0.007287313 -0.002169843 -0.003349835 -0.000407979 -0.013619150 0.007390701 -0.025718006 -0.015271165 0.018530599 0.023749827 -0.009284377 -0.002968499 -0.001666468 0.007215586 0.004037998 -0.005254147 0.001088774 0.004957824 0.013456666 -0.004194364 -0.004327128 -0.004507219 -0.005950465 0.019808105 0.001011103 0.000796578 0.002299871 0.012633431 -0.004241597 -0.003025651 0.001535019 0.007699867 -0.001121275 0.014218552 -0.003150999 -0.008287229 -0.000271244 -0.003138994 0.001638792 -0.005706246 -0.000748904 0.000088493 0.003057454 0.005293688 0.005964251 0.000509240 -0.004180019 0.001616771 -0.004729484 0.003999251 -0.004612012 -0.000639035 -0.004733306 -0.006155675 0.002349484 -0.010558226 0.008299954 0.001544842 -0.004187375 -0.006678109 0.005135264 -0.008100870 -0.001229137 0.007782957 0.005318596 0.001833437 -0.004342416 -0.005577552 0.004498780 -0.001165671 0.003878565 -0.006019678 -0.000448904 0.000250024 0.001937556 0.006369202 -0.002570425 0.003238691 -0.000030470 0.005007536 -0.000140327 -0.003443289 -0.005458966 0.076991865 0.013821622 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -976.897703599271 -976.897715515004 -0.000011915733 -976.897714581575 0.000000933429 -976.897715635610 -0.000001054034 -976.897715655992 -0.000000020383 -976.897715661014 -0.000000005021 -976.897715661673 -0.000000000659 -976.897715661677 -0.000000000004 -976.897715661678 0.000000000000 -976.897715662 9 9.726147022627e+02 -4.592814514855e+03 1.494622042167e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=175378990. IVT= 131902 IEndB= 131902 NGot= 4160749568 MDV= 3988965011 LenX= 3988965011 LenY= 3988927706 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18528 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -76.455791 -18.771142 -18.768342 -18.723999 -14.011334 -9.955645 -9.950241 -9.944980 -9.931517 -9.928849 -9.888573 -9.886795 -9.877627 -9.870458 -6.427237 -4.644662 -4.643830 -4.641054 -0.935888 -0.903094 -0.859410 -0.852046 -0.691686 -0.689648 -0.679841 -0.676115 -0.619313 -0.568207 -0.566677 -0.554454 -0.525943 -0.502821 -0.455081 -0.444122 -0.438244 -0.423636 -0.413751 -0.407344 -0.382338 -0.377290 -0.371128 -0.364416 -0.360851 -0.354570 -0.341573 -0.340569 -0.332653 -0.330330 -0.327841 -0.321795 -0.313170 -0.309361 -0.298785 -0.291765 -0.289158 -0.269727 -0.240016 -0.232914 -0.221476 -0.218378 -0.169428 -0.030947 0.009314 0.032131 0.056214 0.067179 0.085266 0.092317 0.093768 0.098974 0.102547 0.109488 0.119907 0.121945 0.129013 0.132189 0.135089 0.145195 0.150196 0.163418 0.167720 0.171777 0.174952 0.177982 0.179845 0.183103 0.189851 0.192693 0.196018 0.197396 0.200543 0.203965 0.208473 0.213095 0.226520 0.233119 0.240567 0.255659 0.268890 0.275708 0.278573 0.279499 0.285558 0.294043 0.305875 0.309172 0.316475 0.322708 0.327324 0.337357 0.356805 0.356979 0.368991 0.373214 0.383322 0.388164 0.414050 0.428350 0.443334 0.457756 0.468054 0.483214 0.518982 0.541122 0.557052 0.602763 0.641654 0.682042 0.694143 0.712814 0.752562 0.767995 0.776436 0.804364 0.807722 0.839552 0.844816 0.849197 0.875841 0.886970 0.916560 0.935152 0.946032 0.950242 0.960189 0.978801 0.983157 0.992751 1.003917 1.027829 1.044592 1.074997 1.076018 1.078181 1.086796 1.089368 1.097314 1.109685 1.120161 1.128594 1.143445 1.160312 1.183285 1.199901 1.244436 1.256744 1.266805 1.282264 1.370843 1.391056 1.400763 1.517959 1.560636 1.747756 4.708692 4.783170 4.802293 6.289740 22.474696 22.483561 22.500954 22.548077 22.568176 22.619476 22.627402 22.645822 22.659117 31.485466 41.461308 41.490090 41.558930 166.656740 106.132365 29.118650 29.118352 29.119301 22.049122 15.957063 15.960581 15.960682 15.959789 15.959980 15.956746 15.956868 15.956704 15.956684 15.605836 14.671765 14.669717 14.674759 2.473828 2.633262 2.093932 2.523612 1.527642 1.415528 1.518899 1.541413 1.516249 1.517681 1.589266 1.505357 1.517983 1.692263 1.364507 1.228453 1.328407 1.119421 1.119397 1.203015 1.319492 1.130680 1.177521 1.478175 1.224801 1.455883 1.197792 1.295529 1.135056 1.396045 1.335259 1.281275 1.346972 1.189651 1.228041 1.216120 1.872452 2.064709 2.017004 2.208264 2.275443 2.196048 2.050065 2.993463 2.381084 2.071662 1.963853 1.215086 1.416488 1.280704 1.713455 1.081729 1.518819 1.201833 1.216086 1.373116 1.491727 1.319786 1.378404 1.310778 1.275775 1.091743 1.075251 1.005409 1.111109 1.050387 1.032031 1.249804 1.156781 1.188090 1.216962 1.202514 1.231322 1.113031 1.305590 1.434400 1.359842 1.318143 1.291378 1.297599 1.411765 1.414521 1.414040 1.365120 1.490769 1.291959 1.349018 1.579640 1.422412 1.366720 1.668611 1.827441 1.808031 1.818259 1.969987 2.349395 2.675988 2.101723 2.532099 2.615712 2.230863 2.429990 2.206637 2.207259 1.873687 2.249534 2.335857 2.392103 2.312043 2.535078 2.451836 2.624267 2.650218 2.539495 2.485340 2.781887 2.591197 2.744563 2.849183 2.668291 2.851436 2.844471 2.925985 3.008540 2.964990 2.895748 3.018432 2.841858 3.004652 2.909088 2.938548 2.752488 2.724444 2.561351 2.559703 2.592836 2.635920 2.637854 2.697412 2.784102 2.781356 2.741790 2.664436 2.699020 2.755710 2.811826 2.737227 2.800639 2.700249 2.769962 2.793032 3.281631 3.456593 4.829508 4.925225 5.208789 11.468332 11.523510 11.460479 25.463993 57.400763 57.404117 57.405592 57.408676 57.399276 57.381912 57.380967 57.383175 57.382188 80.071726 105.851404 105.850468 105.843786 431.450783 9.726147022627D+02 PT11050S Fri Jun 9 05:20:57 2017 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 P O O O N 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 H H 1.405721 -0.485926 -0.525961 -0.625161 -0.049576 -0.820203 -0.328870 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1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 1 P 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 H 1S|2S|16 H 1S|2S|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S 0.74241 1.22704 0.95730 1.02386 1.05345 0.39303 1.82751 1.82585 1.83261 0.16635 0.16686 0.16407 0.52697 0.50411 0.59863 0.31121 0.30362 0.14738 1.13250 0.85932 0.94006 0.96821 1.24829 1.03140 1.09845 0.49452 0.37123 0.36503 1.13246 0.85938 0.93561 0.96572 0.98599 1.25989 1.14185 0.29538 0.52400 0.44948 1.13271 0.85908 0.96210 1.01930 1.17146 1.17609 0.96615 0.50249 0.49873 0.35777 1.15915 0.83130 0.81517 0.64757 0.91618 0.98231 1.18001 0.01699 0.12469 0.36230 1.17435 0.81418 0.72038 0.77916 0.82126 0.94150 0.86707 0.07182 0.26618 0.20846 1.17437 0.81429 0.73606 0.61012 0.93915 0.81018 0.86728 0.18047 0.11462 0.08744 1.17435 0.81429 0.73494 0.61201 0.86809 0.83753 0.91602 0.14781 0.07489 0.15740 1.17424 0.81436 0.72459 0.69528 0.93779 0.91904 0.85554 0.24458 0.20341 0.10944 1.17424 0.81436 0.72422 0.69700 0.93070 0.88146 0.90068 0.21986 0.15143 0.17629 1.17445 0.81427 0.74766 0.60125 0.91222 0.88891 0.76879 0.16353 0.07841 0.07861 1.17445 0.81428 0.74819 0.59938 0.77293 0.93498 0.86029 0.05084 0.12528 0.13328 1.17424 0.81436 0.72770 0.67443 0.93041 0.85843 0.92382 0.23159 0.11317 0.20803 1.17424 0.81437 0.72830 0.67026 0.90245 0.88650 0.92376 0.18069 0.15784 0.21472 0.50711 0.20689 0.51008 0.23964 0.51599 0.28132 0.51531 0.27356 0.51573 0.27530 0.51510 0.27939 0.51263 0.28245 0.50184 0.20637 0.50904 0.28656 0.50815 0.23828 0.51063 0.24921 0.50882 0.28465 0.51671 0.29247 0.51335 0.26091 0.51103 0.25052 0.51641 0.27941 0.50748 0.29080 0.50840 0.25916 0.50861 0.26079 0.50721 0.28603 0.50916 0.26637 0.50913 0.26388 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 P O O O N 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 H H 1.227739 -0.509009 -0.549762 -0.645894 -0.035661 -0.664366 -0.333988 -0.337343 -0.678283 -0.670241 -0.228099 -0.213897 -0.656168 -0.653134 0.285998 0.250280 0.202685 0.211122 0.208970 0.205507 0.204919 0.291785 0.204393 0.253568 0.240156 0.206529 0.190823 0.225743 0.238454 0.204188 0.201720 0.232437 0.230605 0.206759 0.224472 0.226992 0.00000 -2.54360724e-03 1.24067036e-01 -1.50202172e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0065 0.3153 -3.8178 3.8308 -82.2975 -91.2499 -99.9147 -2.2321 2.6273 4.7766 8.8565 -0.0959 -8.7606 -2.2321 2.6273 4.7766 34.0524 5.7238 42.2195 10.8758 2.1738 26.7836 12.8679 -7.4788 11.6673 3.3122 -2862.0511 -1713.4093 -674.3805 165.3003 -5.2570 130.7748 -165.9805 -56.1280 -178.0516 -773.6964 -611.8827 -397.9096 -44.3153 -28.0422 54.8840 0 -976.8977157 6.715E-9 1.196E-5 6.5846161,-0.0713067,-6.5133094,-1.6595014,1.9533118,3.5512662 C01 [X(C9H22N1O3P1)] -0.0025436 0.124067 -1.5020217 @ 0.000041049 0.000022724 -0.000028142 -0.000009106 -0.000044511 -0.000014204 -0.000003775 -0.000016979 0.000029063 -0.000010530 0.000007468 -0.000013365 -0.000016860 0.000001524 0.000005218 -0.000012639 -0.000006377 0.000018725 0.000000529 -0.000001703 0.000008139 0.000020375 0.000021566 0.000002246 0.000008268 -0.000018116 0.000007875 0.000004582 -0.000018582 0.000008361 0.000012281 0.000006354 0.000035814 -0.000024265 0.000007380 -0.000027290 -0.000002692 -0.000005819 -0.000007463 0.000015829 0.000010690 0.000003481 0.000007964 -0.000006536 0.000010003 -0.000007923 0.000014897 0.000000491 0.000003686 0.000001565 0.000000243 0.000003407 0.000003362 -0.000001931 -0.000004478 -0.000000939 -0.000001261 -0.000001632 -0.000004965 0.000003364 -0.000004869 0.000009748 0.000003752 0.000006264 0.000012347 -0.000002738 0.000001117 0.000003553 0.000001585 -0.000001757 0.000003078 -0.000001513 -0.000001927 -0.000004975 0.000001561 -0.000002704 0.000005341 0.000013109 -0.000004524 0.000012275 -0.000015892 -0.000010018 0.000000985 -0.000007615 0.000001849 -0.000006990 -0.000013665 0.000001310 -0.000002624 -0.000004438 -0.000005016 -0.000001696 0.000003123 -0.000002090 0.000000511 0.000001541 -0.000000758 0.000001377 0.000000667 0.000005180 0.000006713 -0.000010306 -0.000012158 -0.000012229 -0.000005727 0.000006031 -0.000000419 -0.000002812 201.07496099999992 AuxInfo=1/0/N:9,10,6,7,8,5;13,14,11,12,4,2,3,1/E:(1,2)(4,5);(1,2)(3,4)(6,7)/CRV:3.3;5.1/rA:36POOO1NC3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s5;s5;s5;s7;s8;s2;s3;s11;s12;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000070444 EM64L-G09RevD.01 9-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C9H22NO3P)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 201.07496099999992 0 1 AuxInfo=1/0/N:9,10,6,7,8,5;13,14,11,12,4,2,3,1/E:(1,2)(4,5);(1,2)(3,4)(6,7)/CRV:3.3;5.1/rA:36POOO1NC3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s5;s5;s5;s7;s8;s2;s3;s11;s12;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26470.inp" -scrdir="/scratch/" chk=000070444-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000070444 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 31 16 16 16 14 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 1 1 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 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 1.0078250 1.0078250 1 0 0 0 2 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 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 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000223 0.000065 0.088351 0.028540 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.828120e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1148.6800791286 192 436 192 61 61 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 36 36 36 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 201.07496099999992 AuxInfo=1/0/N:9,10,6,7,8,5;13,14,11,12,4,2,3,1/E:(1,2)(4,5);(1,2)(3,4)(6,7)/CRV:3.3;5.1/rA:36POOO1NC3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s5;s5;s5;s7;s8;s2;s3;s11;s12;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.775335 0.000000 1.762828 2.785170 0.000000 1.596764 2.740541 2.823898 0.000000 2.953145 3.948674 4.140421 3.556195 0.000000 2.008833 3.109339 2.854286 3.131929 1.413667 0.000000 3.694270 5.015388 4.772280 3.770757 1.480998 2.506780 0.000000 3.726069 4.125906 5.143051 4.291730 1.477660 2.495148 2.549043 0.000000 3.922128 5.181807 5.218836 3.358556 2.572945 3.485410 1.548384 3.239734 0.000000 3.613830 3.539534 5.277938 3.902441 2.571399 3.230577 3.494583 1.550048 3.560134 0.000000 2.821137 1.484902 3.144720 4.101131 4.671783 3.640005 5.925118 4.778227 6.372304 4.410596 0.000000 2.802483 3.561919 1.490632 3.239005 5.461855 4.271584 5.907526 6.458367 6.086963 6.401104 3.967864 0.000000 4.090536 2.414716 4.459705 5.082199 5.970630 5.080602 7.229873 5.831584 7.513484 5.155799 1.528239 4.963541 0.000000 4.019328 4.979110 2.431933 4.444601 6.268497 5.060437 6.543686 7.441913 6.858678 7.614883 5.207978 1.527738 6.264402 0.000000 2.457927 3.841904 2.664825 3.487120 2.098168 1.103314 2.680381 3.420425 3.780408 4.285568 4.268047 4.034251 5.775358 4.504987 0.000000 2.503466 3.010930 3.133837 3.893813 2.096202 1.105067 3.429585 2.658544 4.469081 3.372853 3.102159 4.608352 4.530357 5.418803 1.806458 0.000000 3.706703 5.261075 4.396645 3.840489 2.094135 2.564872 1.107098 3.443252 2.179613 4.411476 6.094367 5.466056 7.496621 5.872343 2.264608 3.558115 0.000000 4.735553 5.948069 5.779591 4.860718 2.103319 3.308156 1.109584 2.773431 2.183905 3.936369 6.765382 6.965623 8.055872 7.533662 3.451605 4.055101 1.778752 0.000000 4.686906 5.189585 6.099603 5.047164 2.088432 3.375568 2.591589 1.106290 3.204883 2.184968 5.882168 7.395286 6.900938 8.314581 4.142604 3.634555 3.606905 2.393602 0.000000 4.127801 4.273568 5.344494 5.005001 2.106776 2.716214 3.379026 1.110677 4.289943 2.179099 4.576663 6.745479 5.603275 7.692041 3.619280 2.423903 4.114370 3.494440 1.778490 0.000000 4.450023 5.404581 5.945413 3.878046 2.909095 4.019090 2.204088 3.042469 1.105238 3.115141 6.614079 6.843378 7.615863 7.750276 4.534515 4.857239 3.105222 2.519189 2.803593 4.145848 0.000000 3.210569 4.497579 4.524279 2.349068 2.835890 3.350157 2.200728 3.581442 1.104201 3.578976 5.796095 5.227863 6.883929 6.095395 3.660782 4.361320 2.568023 3.108561 3.840144 4.599371 1.794229 0.000000 4.800253 6.179723 5.913885 4.091293 3.498009 4.369670 2.182908 4.240983 1.106698 4.636361 7.380167 6.661571 8.547135 7.267529 4.454639 5.398119 2.475177 2.524978 4.048855 5.265579 1.783686 1.799256 0.000000 2.978768 2.517708 4.598954 3.474207 2.884687 3.034128 3.997189 2.213750 4.102557 1.105112 3.375284 5.665061 4.065592 6.964975 4.119745 3.019177 4.734442 4.630560 3.116691 2.552516 3.861975 3.849048 5.206353 0.000000 3.716614 3.873822 5.461484 3.534980 2.871737 3.638463 3.358569 2.208008 2.947747 1.102790 5.005475 6.428332 5.722928 7.651056 4.589638 4.057895 4.303006 3.867994 2.555095 3.109109 2.358415 2.898348 3.970743 1.781431 0.000000 4.639664 4.290739 6.276054 4.937872 3.497483 4.206798 4.400974 2.185172 4.451124 1.106597 4.991137 7.397960 5.508245 8.645599 5.273912 4.173085 5.379198 4.651548 2.505981 2.494556 3.817615 4.568475 5.475003 1.787217 1.791001 0.000000 3.175562 2.132849 3.616236 4.591277 4.268814 3.334092 5.654426 4.225723 6.306760 4.080173 1.110763 4.707145 2.184540 5.817856 4.037052 2.528400 5.889960 6.360321 5.309030 3.805837 6.493938 5.911115 7.341937 3.164237 4.870441 4.563440 0.000000 2.944513 2.131864 2.602909 4.296089 5.056602 3.816626 6.215698 5.433461 6.746233 5.263477 1.107522 3.302182 2.193460 4.375801 4.169523 3.326417 6.187734 7.095808 6.534863 5.234571 7.147017 6.127959 7.676876 4.282483 5.802322 5.944864 1.799685 0.000000 2.809052 3.682383 2.127813 2.657301 5.488992 4.497552 5.751565 6.465369 5.652314 6.263362 4.442820 1.107136 5.341624 2.194260 4.349047 5.020030 5.368923 6.847614 7.336843 6.919183 6.388356 4.688550 6.160045 5.592602 6.104407 7.279007 5.231082 3.999182 0.000000 3.281542 3.472234 2.116158 3.825699 6.101130 4.864455 6.721994 6.928026 6.892246 6.717812 3.624323 1.107214 4.353038 2.190233 4.780702 5.000191 6.382586 7.777671 7.933528 7.117559 7.548638 6.005986 7.552303 5.849116 6.821508 7.630344 4.512563 2.880747 1.801409 0.000000 4.957465 3.392289 5.088349 6.080819 6.685954 5.736494 8.013033 6.525164 8.432291 5.980762 2.175827 5.595013 1.106375 6.750989 6.364695 5.031962 8.240347 8.787580 7.590394 6.135236 8.550570 7.853860 9.470313 4.927336 6.652368 6.253097 2.528122 2.547898 6.121403 4.901931 0.000000 4.266375 2.666056 4.505457 5.016809 6.541595 5.612783 7.676638 6.521352 7.798871 5.741207 2.174251 4.673578 1.103133 6.010461 6.230625 5.226546 7.884807 8.585949 7.587185 6.434500 7.944634 7.042841 8.783055 4.636919 6.136859 6.164572 3.100752 2.534675 4.952741 3.919191 1.795839 0.000000 4.412825 2.653201 5.144026 5.250686 5.943212 5.286561 7.215855 5.548419 7.404451 4.671419 2.176110 5.736782 1.103384 7.114468 6.132197 4.754083 7.638903 7.976827 6.553860 5.335650 7.346063 6.835450 8.473299 3.620605 5.251093 4.841470 2.532129 3.107136 5.972192 5.222766 1.794482 1.787356 0.000000 4.890506 5.719697 3.404690 5.103261 7.280279 6.103874 7.495809 8.431917 7.673720 8.500125 5.963688 2.172510 6.849753 1.106394 5.582099 6.473735 6.824609 8.506276 9.304505 8.718998 8.559391 6.841010 8.024575 7.816153 8.468376 9.525097 6.681722 5.117522 2.557413 2.528573 7.323092 6.439082 7.725108 0.000000 4.413347 5.225920 2.664855 5.153022 6.484640 5.178251 6.903286 7.632711 7.428593 7.921826 5.153153 2.178503 6.231466 1.103856 4.569473 5.346656 6.214440 7.828774 8.535312 7.729738 8.309910 6.756729 7.890750 7.242771 8.101384 8.913059 5.654115 4.191099 3.109348 2.546035 6.551336 6.084427 7.159853 1.792422 0.000000 4.103146 5.384306 2.703621 4.375581 5.960905 4.883291 6.012708 7.259196 6.335619 7.574175 5.774581 2.176402 6.964654 1.103366 4.171901 5.410614 5.222652 6.958324 8.029744 7.592386 7.309897 5.652071 6.610990 7.066276 7.538542 8.647158 6.267674 5.039942 2.525716 3.105260 7.513895 6.793841 7.732496 1.793592 1.790974 0.000000 C9H22NO3P 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 0 201.07496099999992 AuxInfo=1/0/N:9,10,6,7,8,5;13,14,11,12,4,2,3,1/E:(1,2)(4,5);(1,2)(3,4)(6,7)/CRV:3.3;5.1/rA:36POOO1NC3CCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;;s5;s5;s5;s7;s8;s2;s3;s11;s12;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6650942 0.4076249 0.2973409 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 8778 NPrTT= 42554 LenC2= 8098 LenP2D= 25317. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 192 RedAO= T EigKep= 4.85D-03 NBF= 192 NBsUse= 192 1.00D-06 EigRej= -1.00D+00 NBFU= 192 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 187 187 187 187 187 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -976.347139919074 -976.472473294722 -0.125333375649 -976.372921715640 0.099551579082 -975.914406874119 0.458514841522 -976.887313874985 -0.972907000866 -976.890477292270 -0.003163417285 -976.897085150511 -0.006607858241 -976.897628578877 -0.000543428366 -976.897684780377 -0.000056201500 -976.897690095105 -0.000005314728 -976.897788094856 -0.000097999752 -976.897785078945 0.000003015911 -976.897788887801 -0.000003808856 -976.897788866640 0.000000021161 -976.897788911622 -0.000000044982 -976.897788915597 -0.000000003974 -976.897788915670 -0.000000000074 -976.897788915695 -0.000000000025 -976.897788916 18 9.726142151189e+02 -4.592813492450e+03 1.494621409287e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=175378930. IVT= 131842 IEndB= 131842 NGot= 402653184 MDV= 230868687 LenX= 230868687 LenY= 230831382 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18528 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 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. MDV= 402652628 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=175257551. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 18528 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 7.99D-15 1.00D-09 XBig12= 2.32D+02 1.02D+01. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 7.99D-15 1.00D-09 XBig12= 6.81D+01 1.96D+00. 108 vectors produced by pass 2 Test12= 7.99D-15 1.00D-09 XBig12= 1.59D-01 6.26D-02. 108 vectors produced by pass 3 Test12= 7.99D-15 1.00D-09 XBig12= 3.00D-05 6.15D-04. 49 vectors produced by pass 4 Test12= 7.99D-15 1.00D-09 XBig12= 1.73D-09 3.17D-06. 4 vectors produced by pass 5 Test12= 7.99D-15 1.00D-09 XBig12= 1.22D-13 4.68D-08. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 485 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 148.84 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 178.037 -2.111 149.637 -1.183 -3.025 118.833 269.965 -7.316 229.140 -2.691 -12.416 230.812 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1905.300S Fri Jun 9 05:29:13 2017 -76.45583 -18.77116 -18.76833 -18.72406 -14.01133 -9.95564 -9.95024 -9.94498 -9.93152 -9.92884 -9.88858 -9.88680 -9.87763 -9.87045 -6.42727 -4.64469 -4.64386 -4.64108 -0.93589 -0.90310 -0.85942 -0.85207 -0.69169 -0.68964 -0.67984 -0.67612 -0.61931 -0.56820 -0.56668 -0.55446 -0.52594 -0.50282 -0.45508 -0.44412 -0.43824 -0.42364 -0.41376 -0.40735 -0.38234 -0.37729 -0.37113 -0.36442 -0.36085 -0.35457 -0.34158 -0.34057 -0.33265 -0.33033 -0.32784 -0.32180 -0.31318 -0.30936 -0.29878 -0.29176 -0.28917 -0.26974 -0.24003 -0.23292 -0.22151 -0.21841 -0.16943 -0.03096 0.00926 0.03207 0.05617 0.06719 0.08525 0.09231 0.09376 0.09897 0.10255 0.10948 0.11990 0.12194 0.12900 0.13218 0.13509 0.14519 0.15019 0.16340 0.16772 0.17177 0.17495 0.17798 0.17984 0.18310 0.18985 0.19269 0.19601 0.19740 0.20054 0.20397 0.20847 0.21309 0.22652 0.23313 0.24057 0.25563 0.26887 0.27569 0.27856 0.27944 0.28555 0.29402 0.30584 0.30918 0.31647 0.32268 0.32731 0.33732 0.35680 0.35699 0.36899 0.37321 0.38333 0.38816 0.41404 0.42833 0.44332 0.45771 0.46806 0.48322 0.51898 0.54109 0.55689 0.60267 0.64157 0.68203 0.69411 0.71281 0.75256 0.76798 0.77644 0.80439 0.80771 0.83955 0.84479 0.84919 0.87584 0.88694 0.91655 0.93517 0.94602 0.95023 0.96018 0.97877 0.98316 0.99275 1.00389 1.02779 1.04458 1.07499 1.07601 1.07819 1.08679 1.08937 1.09731 1.10969 1.12016 1.12858 1.14345 1.16032 1.18327 1.19990 1.24443 1.25674 1.26679 1.28225 1.37085 1.39104 1.40075 1.51794 1.56062 1.74771 4.70864 4.78313 4.80220 6.28971 22.47470 22.48356 22.50095 22.54808 22.56817 22.61947 22.62740 22.64582 22.65912 31.48547 41.46130 41.49006 41.55890 166.65671 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 P O O O N 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 H H 1.227070 -0.508950 -0.549666 -0.645560 -0.035634 -0.664105 -0.333908 -0.337489 -0.678367 -0.670364 -0.228054 -0.213840 -0.656165 -0.653175 0.285958 0.250251 0.202676 0.211100 0.209011 0.205518 0.204932 0.291821 0.204402 0.253643 0.240175 0.206538 0.190809 0.225729 0.238433 0.204191 0.201740 0.232441 0.230582 0.206766 0.224482 0.227008 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 P O O O N C C C C C C C C C 1.227070 -0.508950 -0.549666 -0.645560 -0.035634 -0.127896 0.079868 0.077040 0.022788 0.029992 0.188485 0.228784 0.008600 0.005080 0.00000 3.34214215e-02 3.56492576e-01 -1.46394402e+00 1.78037237e+02 -2.11088366e+00 1.49636790e+02 -1.18346937e+00 -3.02450385e+00 1.18833181e+02 -0.0004 0.0013 0.0022 0.3991 6.3528 12.5618 18.8313 20.9693 37.2697 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.1199 20.6888 36.9835 43.1710 52.5991 77.9883 79.1752 101.6005 104.0955 131.2378 139.9190 159.3718 166.2834 211.9333 235.5798 242.3161 244.8519 267.1709 270.2459 302.4390 330.9268 339.9021 382.0203 392.7707 433.0319 460.3319 489.1661 528.0991 620.5410 641.1740 737.6524 776.1916 801.1469 807.9952 808.5164 855.7089 867.3640 874.4077 931.9697 993.4248 1014.3753 1019.0374 1029.1489 1066.6713 1086.5173 1099.4424 1101.2858 1103.1087 1111.8045 1130.1171 1137.9611 1157.8529 1238.8944 1249.7231 1263.1393 1264.8207 1273.0353 1336.2907 1349.5443 1351.1731 1359.0421 1363.6733 1386.4345 1389.3576 1392.7999 1394.9974 1400.9898 1412.0299 1456.5625 1458.6452 1458.9756 1466.5277 1473.5162 1476.8740 1477.0846 1477.9874 1488.1513 1491.1249 1496.9285 1501.3452 2950.9875 2953.7141 2961.5388 2974.8677 2980.2845 2982.4655 2989.2428 2991.1321 2999.3367 3022.9618 3026.5295 3033.3071 3042.8961 3070.9610 3073.7132 3084.7376 3086.4201 3087.8478 3089.9935 3101.0150 3103.6017 3106.2285 2.7615 2.9089 2.4060 2.8916 2.4291 3.1195 2.4749 2.4790 3.4022 3.6115 3.5572 4.0427 5.2257 2.8352 1.4466 1.2537 1.2873 1.0957 2.2728 4.3993 2.3565 3.8247 3.9897 3.1981 1.8638 2.6156 6.1168 6.5599 6.5565 6.5365 2.3286 1.1539 1.2293 1.1013 1.0966 1.8840 3.6547 3.1908 1.9485 2.9730 4.8279 2.7823 3.9758 2.2445 1.8350 2.1719 2.0490 1.7485 1.8399 1.4337 1.4805 1.5600 1.6398 1.1705 1.1429 1.1710 1.1222 1.3709 1.2766 1.2574 1.2549 1.3917 1.5746 1.2494 1.2393 1.2204 1.2003 1.2389 1.0405 1.0440 1.0697 1.0993 1.0439 1.0510 1.0487 1.0480 1.0796 1.0816 1.0565 1.0544 1.0605 1.0641 1.0624 1.0363 1.0547 1.0374 1.0380 1.0366 1.0580 1.1023 1.0996 1.0977 1.1078 1.0988 1.0991 1.0979 1.1070 1.0981 1.1031 1.0994 1.1020 1.1015 0.0005 0.0007 0.0019 0.0032 0.0040 0.0112 0.0091 0.0151 0.0217 0.0366 0.0410 0.0605 0.0851 0.0750 0.0473 0.0434 0.0455 0.0461 0.0978 0.2371 0.1521 0.2604 0.3431 0.2907 0.2059 0.3266 0.8624 1.0779 1.4875 1.5832 0.7465 0.4096 0.4649 0.4236 0.4224 0.8128 1.6200 1.4374 0.9971 1.7287 2.9269 1.7023 2.4810 1.5046 1.2763 1.5468 1.4642 1.2536 1.3400 1.0788 1.1296 1.2322 1.4829 1.0771 1.0743 1.1037 1.0715 1.4423 1.3699 1.3526 1.3656 1.5249 1.7833 1.4209 1.4165 1.3993 1.3880 1.4554 1.3006 1.3087 1.3416 1.3930 1.3355 1.3506 1.3480 1.3488 1.4087 1.4170 1.3949 1.4003 5.4410 5.4699 5.4901 5.4035 5.5194 5.4370 5.4648 5.4641 5.6078 5.9351 5.9344 5.9507 6.0433 6.1052 6.1183 6.1556 6.2131 6.1686 6.2054 6.2292 6.2539 6.2617 0.0576 0.7339 0.7750 1.3196 1.7524 1.2810 2.1988 0.0673 3.1333 2.3539 7.8367 3.7127 31.9889 6.9188 1.3034 1.1807 3.4645 0.2975 5.5699 11.6858 0.5175 22.4967 13.7275 26.7932 4.5243 3.6374 44.4634 47.7369 101.9818 117.4038 1.8002 1.0029 18.0208 5.7413 3.2151 15.7951 183.4316 139.4191 31.2869 3.6240 236.2973 131.7629 37.7273 0.4635 16.3361 28.4929 17.5173 15.5737 54.4287 4.8361 4.6682 8.1594 107.8979 1.7217 7.5497 7.3557 8.2985 28.2214 7.4413 17.9221 10.4585 6.8233 92.2444 17.7055 30.3470 16.8661 23.4794 9.7782 10.2555 9.6295 6.2889 15.4374 5.9411 4.6916 12.6152 5.9043 16.4167 0.4785 6.6577 10.0211 17.2701 86.4585 89.9620 59.0405 38.7611 28.9600 33.8161 30.6523 21.2585 25.9211 11.1663 33.1203 11.7927 57.7441 32.1190 35.3273 3.8040 33.5857 13.7086 21.8273 38.6136 35.2553 15 8 8 8 7 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 1 1 -0.03 -0.04 0.00 0.03 -0.03 0.01 -0.05 0.01 -0.02 -0.05 -0.07 -0.01 -0.02 0.00 0.01 -0.02 -0.06 0.01 0.03 0.04 0.06 -0.06 0.03 -0.06 0.02 0.10 0.07 -0.04 0.07 -0.08 -0.02 -0.02 0.06 -0.03 -0.05 -0.03 0.24 0.12 0.05 0.01 -0.05 -0.06 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