Gaussian 09 GINC-KIMIK2025 CBGUSER 000053036 EM64L-G09RevD.01 18-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 321.3933999999999 0 1 AuxInfo=1/0/N:10,11,15,16,9,7,17,6,13,8,14,12,5,3,1,4,2/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3/rA:22ClClClClClC3C3C3C3C3C3C3C3C3C3C3C3HHHHH/rB:;;;;;s6;s1s6;s6;s7;s7;s2s8;s3s9;s4s12s13;s10;s11;s5s15s16;s9;s10;s11;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7000.inp" -scrdir="/scratch/" chk=000053036.chk nprocshared=4 mem=7GB #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 000053036 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 35 35 35 35 35 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 34.9688527 34.9688527 34.9688527 34.9688527 34.9688527 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 3 3 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 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 (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 1 2 3 4 5 6 6 6 7 7 8 9 9 10 10 11 11 12 13 15 15 16 16 8 12 13 14 17 7 8 9 10 11 12 13 18 15 19 16 20 14 14 17 21 17 22 1.7419 1.7425 1.731 1.7408 1.7209 1.447 1.3976 1.3973 1.3949 1.3948 1.3948 1.3948 1.089 1.3949 1.0875 1.3949 1.0875 1.3947 1.3948 1.3949 1.087 1.3948 1.087 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 7 8 6 6 10 1 1 6 6 6 13 7 7 15 7 7 16 2 2 8 3 3 9 4 4 12 10 10 17 11 11 17 5 5 15 6 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 15 15 15 16 16 16 17 17 17 8 9 9 10 11 11 6 12 12 13 18 18 15 19 19 16 20 20 8 14 14 9 14 14 12 13 13 17 21 21 17 22 22 15 16 16 122.4466 117.9083 119.6451 119.9956 120.0126 119.9918 119.0504 120.7752 120.1743 120.1682 119.9677 119.864 120.0034 120.9371 119.0595 120.0047 120.935 119.0602 119.9304 120.0693 120.0002 117.2576 122.7314 120.011 120.5216 119.4773 120.0011 119.9992 119.2027 120.7981 120.002 119.1993 120.7987 119.9992 120.0019 119.9988 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8 8 9 9 7 7 9 9 7 7 8 8 6 6 11 11 6 6 10 10 1 1 6 6 6 6 18 18 7 7 19 19 7 7 20 20 2 2 8 8 3 3 9 9 10 10 21 21 11 11 22 22 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 10 11 10 11 1 12 1 12 13 18 13 18 15 19 15 19 16 20 16 20 2 14 2 14 3 14 3 14 17 21 17 21 17 22 17 22 4 13 4 13 4 12 4 12 5 16 5 16 5 15 5 15 -90.0016 89.9409 90.0061 -90.0514 -0.0361 -179.9922 179.9561 0.0 179.9925 -0.0103 0.0 179.9971 179.9473 -0.0159 0.0048 -179.9584 -179.9473 0.0139 -0.0048 179.9564 -0.0151 -179.9553 179.9402 0.0 179.9594 0.0 -0.0378 -179.9971 0.0047 -179.9816 179.9686 -0.0178 -0.0047 179.9794 -179.9666 0.0175 0.0449 -179.9402 179.9851 0.0 0.0577 -179.957 -179.9852 0.0 -179.9575 -0.0142 0.0286 179.9719 179.9575 0.0142 -0.0264 -179.9697 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 121 132 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 22 22 22 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= 41983 LenC2= 7141 LenP2D= 22132. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 3.06D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 Using GEDIIS/GDIIS optimizer. local minimum Step number 4 out of a maximum of 121 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.01467 0.01916 0.01944 0.02127 0.02138 0.02141 0.02150 0.02154 0.02157 0.02157 0.02157 0.02157 0.02157 0.02157 0.02158 0.02158 0.02158 0.02158 0.02160 0.14662 0.16000 0.16000 0.16000 0.16002 0.16531 0.22000 0.23185 0.23553 0.24813 0.24992 0.25000 0.25000 0.25000 0.25000 0.25007 0.25160 0.25206 0.27591 0.31277 0.31464 0.32122 0.32971 0.34945 0.35103 0.35116 0.35162 0.35211 0.38906 0.42258 0.42446 0.42503 0.42630 0.46098 0.46304 0.46432 0.46481 0.46487 0.46497 0.46593 0.50297 RFO step: Lambda=-5.49221008D-06. 1 2 0.00099993 0.00000062 0.00000055 0.00000033 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 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 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 3.41596 3.40374 3.41489 3.40057 3.43949 2.83616 2.67970 2.67399 2.67917 2.67917 2.67602 2.65768 2.06604 2.66905 2.06969 2.66905 2.06968 2.67828 2.66986 2.66166 2.06703 2.66166 2.06703 2.13684 2.08415 2.06219 2.10187 2.10190 2.07914 2.07757 2.09098 2.11463 2.11163 2.08384 2.08771 2.10758 2.09255 2.08304 2.10758 2.09255 2.08304 2.09956 2.08972 2.09391 2.06704 2.10816 2.10798 2.10208 2.10508 2.07603 2.07383 2.10708 2.10228 2.07383 2.10707 2.10228 2.07939 2.07939 2.12441 -1.58439 1.58278 1.55720 -1.55882 0.00001 -3.14156 -3.14158 0.00003 3.14154 0.00003 -0.00006 -3.14156 -3.11852 0.02842 -0.00217 -3.13841 3.11851 -0.02841 0.00216 3.13842 0.00000 -3.14156 3.14157 0.00001 -3.14148 0.00004 0.00003 3.14155 0.00089 -3.13989 3.13717 -0.00361 -0.00089 3.13989 -3.13717 0.00360 -0.00003 -3.14159 3.14153 -0.00003 -0.00004 3.14152 -3.14156 0.00000 3.14159 0.00042 -0.00081 3.14120 3.14159 -0.00042 0.00081 -3.14120 -0.00022 -0.00065 -0.00007 -0.00082 0.00065 -0.00051 -0.00012 0.00014 -0.00016 -0.00016 -0.00029 -0.00005 -0.00009 0.00007 -0.00007 0.00006 -0.00007 -0.00001 -0.00013 -0.00027 -0.00010 -0.00027 -0.00010 0.00021 -0.00016 -0.00005 -0.00009 -0.00010 0.00019 -0.00005 -0.00008 0.00013 -0.00016 0.00007 0.00009 -0.00009 0.00005 0.00005 -0.00009 0.00005 0.00005 -0.00006 0.00005 0.00001 -0.00031 0.00014 0.00017 0.00004 0.00005 -0.00010 -0.00018 0.00006 0.00012 -0.00018 0.00006 0.00012 -0.00018 -0.00018 0.00036 0.00002 -0.00002 0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00004 0.00001 0.00000 0.00003 0.00004 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 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 0.00103 0.00059 0.00128 0.00032 0.00236 -0.00018 -0.00028 0.00007 -0.00018 -0.00018 -0.00034 -0.00036 -0.00009 0.00011 -0.00007 0.00011 -0.00007 -0.00023 -0.00036 -0.00042 -0.00022 -0.00042 -0.00021 -0.00005 0.00022 -0.00017 -0.00022 -0.00022 0.00043 -0.00036 -0.00007 0.00043 -0.00044 0.00020 0.00024 -0.00011 -0.00017 0.00029 -0.00011 -0.00017 0.00029 0.00019 -0.00001 -0.00018 -0.00023 -0.00042 0.00065 0.00009 0.00020 -0.00029 -0.00069 0.00057 0.00013 -0.00069 0.00057 0.00012 -0.00059 -0.00059 0.00118 -0.00019 0.00011 -0.00018 0.00013 -0.00002 0.00001 -0.00003 0.00000 -0.00002 -0.00001 -0.00001 0.00000 0.00023 0.00053 -0.00008 0.00023 -0.00023 -0.00053 0.00008 -0.00023 0.00001 0.00004 -0.00002 0.00001 0.00001 0.00002 0.00000 0.00000 0.00015 0.00007 -0.00015 -0.00024 -0.00015 -0.00007 0.00015 0.00024 0.00001 0.00002 -0.00002 -0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00019 -0.00023 -0.00011 -0.00014 0.00019 0.00023 0.00011 0.00014 -0.00110 -0.00236 -0.00069 -0.00274 0.00108 -0.00111 -0.00003 0.00036 -0.00017 -0.00017 -0.00043 0.00015 -0.00018 0.00011 -0.00013 0.00011 -0.00013 0.00017 -0.00002 -0.00032 -0.00014 -0.00032 -0.00014 0.00092 -0.00080 -0.00011 -0.00029 -0.00029 0.00062 0.00007 -0.00037 0.00030 -0.00035 0.00014 0.00022 -0.00029 0.00027 0.00002 -0.00029 0.00027 0.00003 -0.00033 0.00026 0.00007 -0.00117 0.00074 0.00042 0.00013 0.00020 -0.00033 -0.00049 -0.00007 0.00055 -0.00048 -0.00007 0.00055 -0.00047 -0.00047 0.00093 0.00083 -0.00123 0.00080 -0.00126 0.00008 -0.00006 0.00010 -0.00004 0.00010 0.00000 0.00007 -0.00003 -0.00153 -0.00230 0.00050 -0.00028 0.00152 0.00230 -0.00050 0.00028 -0.00003 -0.00015 0.00011 -0.00001 -0.00014 -0.00006 -0.00003 0.00004 -0.00037 -0.00025 0.00040 0.00052 0.00037 0.00025 -0.00041 -0.00053 -0.00002 -0.00009 0.00010 0.00002 0.00001 0.00009 -0.00007 0.00001 0.00002 0.00024 -0.00010 0.00012 -0.00002 -0.00024 0.00010 -0.00012 -0.00007 -0.00177 0.00058 -0.00241 0.00343 -0.00128 -0.00031 0.00042 -0.00035 -0.00035 -0.00077 -0.00021 -0.00027 0.00023 -0.00020 0.00022 -0.00020 -0.00006 -0.00038 -0.00075 -0.00036 -0.00074 -0.00036 0.00086 -0.00058 -0.00028 -0.00050 -0.00051 0.00105 -0.00029 -0.00044 0.00073 -0.00079 0.00034 0.00045 -0.00041 0.00010 0.00031 -0.00041 0.00009 0.00032 -0.00014 0.00025 -0.00011 -0.00140 0.00032 0.00108 0.00022 0.00040 -0.00062 -0.00118 0.00050 0.00068 -0.00117 0.00050 0.00067 -0.00106 -0.00106 0.00212 0.00064 -0.00112 0.00063 -0.00113 0.00006 -0.00005 0.00007 -0.00004 0.00007 -0.00002 0.00006 -0.00003 -0.00130 -0.00177 0.00042 -0.00005 0.00130 0.00177 -0.00042 0.00005 -0.00002 -0.00011 0.00009 0.00000 -0.00012 -0.00004 -0.00003 0.00005 -0.00021 -0.00018 0.00025 0.00028 0.00022 0.00019 -0.00025 -0.00028 -0.00001 -0.00007 0.00008 0.00002 0.00002 0.00009 -0.00006 0.00000 -0.00018 0.00001 -0.00021 -0.00002 0.00017 -0.00001 0.00021 0.00002 3.41589 3.40198 3.41547 3.39815 3.44293 2.83488 2.67939 2.67441 2.67882 2.67882 2.67525 2.65747 2.06577 2.66928 2.06949 2.66927 2.06949 2.67822 2.66948 2.66091 2.06667 2.66092 2.06667 2.13770 2.08357 2.06191 2.10137 2.10139 2.08019 2.07729 2.09054 2.11536 2.11084 2.08418 2.08816 2.10717 2.09265 2.08336 2.10717 2.09265 2.08335 2.09942 2.08998 2.09379 2.06565 2.10848 2.10906 2.10230 2.10548 2.07541 2.07265 2.10757 2.10296 2.07266 2.10757 2.10296 2.07833 2.07833 2.12653 -1.58374 1.58166 1.55783 -1.55995 0.00007 3.14157 -3.14151 0.00000 -3.14158 0.00001 0.00000 3.14159 -3.11982 0.02666 -0.00175 -3.13846 3.11981 -0.02664 0.00174 3.13848 -0.00002 3.14151 -3.14152 0.00001 3.14158 0.00000 -0.00001 -3.14159 0.00068 -3.14007 3.13742 -0.00333 -0.00067 3.14008 -3.13743 0.00332 -0.00004 3.14152 -3.14157 -0.00001 -0.00002 -3.14158 3.14156 0.00000 3.14142 0.00043 -0.00102 3.14118 -3.14142 -0.00043 0.00101 -3.14118 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000815 0.000161 0.004195 0.001000 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.475235e-06 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 1 2 3 4 5 6 6 6 7 7 8 9 9 10 10 11 11 12 13 15 15 16 16 8 12 13 14 17 7 8 9 10 11 12 13 18 15 19 16 20 14 14 17 21 17 22 1.8076 1.8012 1.8071 1.7995 1.8201 1.5008 1.418 1.415 1.4178 1.4178 1.4161 1.4064 1.0933 1.4124 1.0952 1.4124 1.0952 1.4173 1.4128 1.4085 1.0938 1.4085 1.0938 -DE/DX = -0.0002|-DE/DX = -0.0007|-DE/DX = -0.0001|-DE/DX = -0.0008|-DE/DX = 0.0007|-DE/DX = -0.0005|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = -0.0003|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0003|-DE/DX = -0.0001|-DE/DX = -0.0003|-DE/DX = -0.0001 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 7 7 8 6 6 10 1 1 6 6 6 13 7 7 15 7 7 16 2 2 8 3 3 9 4 4 12 10 10 17 11 11 17 5 5 15 6 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 15 15 15 16 16 16 17 17 17 8 9 9 10 11 11 6 12 12 13 18 18 15 19 19 16 20 20 8 14 14 9 14 14 12 13 13 17 21 21 17 22 22 15 16 16 122.4318 119.4131 118.1551 120.4281 120.43 119.126 119.0362 119.8045 121.1593 120.9877 119.3953 119.617 120.7554 119.8943 119.3496 120.7554 119.8945 119.3493 120.2958 119.7322 119.972 118.4328 120.7887 120.7784 120.44 120.6124 118.9475 118.8217 120.7266 120.4517 118.8217 120.7264 120.4519 119.1402 119.1402 121.7197 -DE/DX = 0.0002|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0003|-DE/DX = 0.0001|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = 0.0004 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 8 8 9 9 7 7 9 9 7 7 8 8 6 6 11 11 6 6 10 10 1 1 6 6 6 6 18 18 7 7 19 19 7 7 20 20 2 2 8 8 3 3 9 9 10 10 21 21 11 11 22 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 10 11 10 11 1 12 1 12 13 18 13 18 15 19 15 19 16 20 16 20 2 14 2 14 3 14 3 14 17 21 17 21 17 22 17 22 4 13 4 13 4 12 4 12 5 16 5 16 5 15 5 -90.7787 90.6865 89.2212 -89.3136 0.0004 180.0018 -179.9995 0.0019 -180.0032 0.0017 -0.0033 180.0016 -178.6779 1.6286 -0.1241 -179.8176 178.6777 -1.628 0.1239 179.8183 0.0002 180.0019 -180.0013 0.0005 180.0064 0.0024 0.0015 -180.0025 0.0513 -179.9022 179.7464 -0.2071 -0.0509 179.9025 -179.7469 0.2065 -0.0016 180.0002 -180.0033 -0.0015 -0.0022 -180.0041 180.0019 0.0001 180.0 0.024 -0.0464 179.9777 -180.0002 -0.0242 0.0463 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 321.3933999999999 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1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|4 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|5 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S 0.74383 1.22401 0.97486 1.00916 1.09432 0.92016 1.79878 1.78728 1.80210 0.22707 0.22804 0.22730 0.87966 0.73267 0.91572 0.81725 0.61078 0.94314 0.74384 1.22401 0.97489 1.00928 1.09592 0.91570 1.79818 1.78762 1.80222 0.22715 0.22810 0.22743 0.87188 0.73633 0.91601 0.80641 0.61872 0.94886 0.74383 1.22402 0.97467 1.00950 1.09333 0.91880 1.80059 1.78551 1.80233 0.22688 0.22823 0.22745 0.90289 0.70998 0.91707 0.86177 0.57562 0.95295 0.74384 1.22401 0.97482 1.00940 1.09534 0.91407 1.78145 1.80435 1.80228 0.22866 0.22657 0.22744 0.65700 0.95131 0.91666 0.50141 0.91662 0.94989 0.74381 1.22405 0.97433 1.00994 1.08816 0.92276 1.78299 1.80229 1.80370 0.22824 0.22756 0.22681 0.67973 0.91546 0.94051 0.51506 0.96078 0.94966 1.17426 0.81374 0.75638 0.35677 0.93741 0.91304 0.79255 -0.14854 -0.33536 0.22456 1.17425 0.81383 0.75261 0.40469 0.91299 0.80208 0.93424 -0.14882 0.23863 -0.17610 1.17431 0.81378 0.73453 0.71718 0.90489 0.83973 0.86249 0.05781 0.06121 0.25430 1.17433 0.81392 0.75170 0.52308 0.90725 0.94672 0.78356 0.08687 0.19711 0.21920 1.17436 0.81397 0.75450 0.52991 0.92563 0.76372 0.94073 0.05633 0.22956 0.16647 1.17436 0.81397 0.75450 0.52991 0.92563 0.76373 0.94076 0.05631 0.22953 0.16652 1.17430 0.81386 0.73571 0.64428 0.90424 0.83896 0.86758 -0.07332 -0.10071 0.23771 1.17432 0.81388 0.74245 0.63518 0.93182 0.82511 0.85273 0.02602 -0.11395 0.24418 1.17429 0.81388 0.73386 0.68125 0.80280 0.93712 0.87334 -0.05051 -0.08719 0.23625 1.17435 0.81406 0.75362 0.50269 0.92877 0.77238 0.93262 0.01596 0.22340 0.07121 1.17435 0.81406 0.75361 0.50270 0.92876 0.77240 0.93263 0.01594 0.22338 0.07115 1.17436 0.81398 0.75324 0.61779 0.79972 0.83402 0.96916 -0.07044 0.25168 0.03257 0.51114 0.20101 0.51736 0.22663 0.51736 0.22663 0.51551 0.22628 0.51548 0.22635 0.8972 -0.8825 0.0008 1.2585 -143.0433 -134.3799 -124.0459 -0.8030 -0.0005 0.0120 -9.2203 -0.5569 9.7771 -0.8030 -0.0005 0.0120 79.4143 -33.2788 -0.0048 34.2964 -4.3118 0.0004 55.8706 -10.8613 0.0022 0.0208 -8412.2999 -1932.7851 -347.5456 -17.7778 -0.0122 -11.0979 0.0424 0.0287 0.1119 -1712.7948 -1365.6158 -407.3472 0.1299 -0.0039 -7.6314 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.3933999999999 AuxInfo=1/0/N:10,11,15,16,9,7,17,6,13,8,14,12,5,3,1,4,2/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3/rA:22ClClClClClC3C3C3C3C3C3C3C3C3C3C3C3HHHHH/rB:;;;;;s6;s1s6;s6;s7;s7;s2s8;s3s9;s4s12s13;s10;s11;s5s15s16;s9;s10;s11;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.223226 0.000000 6.422754 5.587121 0.000000 5.581566 3.222297 3.254185 0.000000 6.684921 9.667977 9.473797 10.792025 0.000000 2.786877 4.125472 4.101712 4.657382 6.137166 0.000000 3.116120 5.351143 5.275695 6.157755 4.636563 1.500833 0.000000 1.807648 2.796958 4.615195 4.115595 7.016586 1.418035 2.558524 0.000000 4.096054 4.619842 2.768318 4.110553 6.925720 1.415015 2.518071 2.430371 0.000000 3.717554 6.113040 6.007687 6.983195 4.104582 2.533341 1.417755 3.441400 3.385703 0.000000 3.716103 6.112173 6.008564 6.983188 4.104583 2.533364 1.417754 3.440743 3.386446 2.444737 0.000000 2.795987 1.801184 4.116072 2.798424 8.407447 2.468633 3.857323 1.416088 2.818661 4.712565 4.712090 0.000000 4.616214 4.099820 1.807082 2.797070 8.321022 2.455477 3.819383 2.808567 1.406386 4.661305 4.661838 2.437851 0.000000 4.117697 2.790173 2.806305 1.799503 8.993295 2.857884 4.358352 2.453428 2.451031 5.221184 5.221206 1.417287 1.412827 0.000000 4.686963 7.389978 7.242266 8.377778 2.791646 3.833972 2.460265 4.726503 4.651644 1.412402 2.830196 6.058170 5.989225 6.603497 0.000000 4.685807 7.389258 7.242997 8.377772 2.791646 3.833988 2.460264 4.726022 4.652187 2.830195 1.412402 6.057799 5.989642 6.603514 2.460439 0.000000 5.082671 7.930606 7.766412 8.972530 1.820101 4.317093 2.816462 5.229770 5.147644 2.428333 2.428334 6.607034 6.531330 7.173571 1.408490 1.408491 0.000000 4.958265 5.713115 2.878830 4.963369 6.599679 2.171693 2.712020 3.423542 1.093302 3.410750 3.412001 3.911931 2.166332 3.436755 4.489578 4.490533 4.921068 0.000000 3.869637 5.918894 5.842306 6.696549 4.962056 2.745619 2.181137 3.479358 3.444565 1.095231 3.439377 4.575744 4.539521 5.028645 2.170438 3.925412 3.420207 3.560241 0.000000 3.867168 5.917311 5.843908 6.696543 4.962053 2.745663 2.181139 3.478209 3.445865 3.439378 1.095229 4.574882 4.540496 5.028691 3.925411 2.170435 3.420205 3.562370 4.348030 0.000000 5.427182 8.103320 7.946951 9.103670 2.921642 4.715676 3.453931 5.544981 5.469711 2.184048 3.923995 6.831917 6.760651 7.369229 1.093826 3.448534 2.177598 5.271481 2.508140 5.019198 0.000000 5.425417 8.102157 7.948123 9.103658 2.921646 4.715695 3.453928 5.544254 5.470525 3.923993 2.184045 6.831333 6.761300 7.369254 3.448533 1.093825 2.177600 5.272914 5.019197 2.508132 4.347163 0.000000 0.5225625 0.1348882 0.1115306 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= 200 200 200 200 202 MxSgAt= 22 MxSgA2= 22. 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 22 22 22 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 22 22 22 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 22 22 22 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= 41983 LenC2= 7073 LenP2D= 21828. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 3.74D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 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= 199 200 200 200 200 MxSgAt= 22 MxSgA2= 22. 1 Closed 1 0 1 -2759.23109394542 -2759.22464278204 0.006451163381 -2759.38144333952 -0.156800557480 -2759.39534459743 -0.013901257908 -2759.49347542111 -0.098130823681 -2759.49672378374 -0.003248362635 -2759.49738467997 -0.000660896230 -2759.49746110328 -0.000076423303 -2759.49746772140 -0.000006618122 -2759.49746817643 -0.000000455035 -2759.49767592485 -0.000207748418 -2759.49767648308 -0.000000558227 -2759.49767633468 0.000000148399 -2759.49767652030 -0.000000185617 -2759.49767652353 -0.000000003232 -2759.49767652396 -0.000000000427 -2759.49767652408 -0.000000000122 -2759.49767652404 0.000000000040 -2759.49767652407 -0.000000000029 -2759.49767652 19 2.752005888513e+03 -9.931731456368e+03 2.720816280779e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063459. IVT= 166434 IEndB= 166434 NGot= 939524096 MDV= 643857458 LenX= 643857458 LenY= 643808617 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= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 3.52971649e-01 -3.47201132e-01 2.97822667e-04 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 17 17 17 17 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 0.013858791 0.026774792 -0.000020152 -0.015416999 0.023549718 -0.000019524 -0.018721558 -0.031052869 0.000020526 -0.029725413 -0.000285156 -0.000001903 0.045444242 -0.000343211 0.000000978 -0.012311751 -0.007231660 0.000014185 0.007652595 0.003348572 -0.000079232 -0.003570599 -0.011977045 0.000027410 -0.000648831 -0.003244880 -0.000001291 0.002713207 -0.000507599 -0.008695462 0.002708387 -0.000486092 0.008758978 0.004493190 -0.002716492 0.000044227 0.017202579 0.011271799 -0.000052175 0.002754055 -0.005412800 0.000003367 0.004664009 -0.000416537 -0.012762384 0.004679528 -0.000388585 0.012861308 -0.029160091 0.000471759 -0.000046863 0.001723181 -0.001831047 -0.000000222 -0.003675161 0.000306738 -0.003555539 -0.003667097 0.000312139 0.003551890 0.004514426 -0.000074116 -0.003648867 0.004489310 -0.000067429 0.003600744 0.045444242 0.011287634 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -2759.51556005245 -2759.51562463975 -0.000064587297 -2759.51561317816 0.000011461588 -2759.51563133923 -0.000018161070 -2759.51563178100 -0.000000441763 -2759.51563191236 -0.000000131357 -2759.51563191843 -0.000000006075 -2759.51563191955 -0.000000001124 -2759.51563191969 -0.000000000138 -2759.51563191973 -0.000000000040 -2759.51563192 10 2.750731210612e+03 -9.849040242634e+03 2.680199186448e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063459. IVT= 166434 IEndB= 166434 NGot= 939524096 MDV= 643857458 LenX= 643857458 LenY= 643808617 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= 24310 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 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 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 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5PX 5PY 5PZ 6PX 6PY 6PZ 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 1 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|4 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|5 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S 0.74385 1.22399 0.97508 1.00942 1.09607 0.92268 1.79870 1.78613 1.80226 0.22730 0.22846 0.22749 0.87587 0.71361 0.91538 0.83817 0.62878 0.95503 0.74385 1.22398 0.97511 1.00946 1.09825 0.91729 1.79768 1.78690 1.80241 0.22738 0.22842 0.22756 0.86310 0.72355 0.91661 0.81736 0.63741 0.95790 0.74385 1.22400 0.97494 1.00977 1.09491 0.92266 1.79969 1.78497 1.80252 0.22723 0.22864 0.22765 0.88810 0.69810 0.91702 0.87082 0.60943 0.96584 0.74385 1.22398 0.97509 1.00950 1.09841 0.91439 1.78024 1.80432 1.80244 0.22905 0.22671 0.22755 0.63750 0.94925 0.91706 0.52053 0.92706 0.95732 0.74383 1.22402 0.97462 1.01036 1.08883 0.92793 1.78167 1.80242 1.80342 0.22889 0.22786 0.22718 0.65581 0.91344 0.93271 0.55657 0.97833 0.96784 1.17435 0.81384 0.75295 0.41612 0.91541 0.89789 0.78715 -0.13931 -0.29519 0.23271 1.17434 0.81392 0.74936 0.44985 0.88542 0.79647 0.92147 -0.14430 0.24175 -0.16742 1.17444 0.81382 0.73408 0.74939 0.88666 0.81292 0.84835 0.02431 0.04692 0.25400 1.17437 0.81396 0.75256 0.53775 0.90057 0.94281 0.77799 0.07281 0.19382 0.22256 1.17441 0.81401 0.75482 0.54846 0.91483 0.75680 0.93379 0.05268 0.23512 0.15720 1.17441 0.81401 0.75483 0.54845 0.91483 0.75680 0.93380 0.05266 0.23511 0.15720 1.17440 0.81391 0.73461 0.67413 0.88512 0.81620 0.85547 -0.08852 -0.08232 0.24131 1.17443 0.81393 0.74091 0.66069 0.91358 0.79546 0.84323 -0.00696 -0.10039 0.24465 1.17440 0.81393 0.73258 0.71292 0.78101 0.92047 0.85772 -0.03753 -0.09157 0.23844 1.17438 0.81409 0.75444 0.51891 0.91824 0.76858 0.92861 0.02033 0.22746 0.07300 1.17438 0.81409 0.75444 0.51891 0.91824 0.76858 0.92861 0.02032 0.22745 0.07301 1.17452 0.81399 0.75178 0.64917 0.75299 0.82080 0.95627 -0.04875 0.24992 -0.01149 0.50799 0.20629 0.51337 0.23476 0.51338 0.23476 0.51076 0.22937 0.51076 0.22937 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 Cl Cl Cl Cl Cl C C C C C C C C C C C C H H H H H 0.031728 0.045786 0.009860 0.055748 -0.045725 0.444090 0.279130 -0.344900 -0.389193 -0.342130 -0.342087 -0.024299 -0.079536 -0.102365 -0.198044 -0.198035 -0.109209 0.285716 0.251867 0.251868 0.259863 0.259865 0.00000 3.04079390e-01 -3.72238943e-01 1.25634648e-04 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.7729 -0.9461 0.0003 1.2217 -146.1542 -135.5280 -124.3476 -0.9341 0.0003 0.0112 -10.8109 -0.1847 10.9957 -0.9341 0.0003 0.0112 71.2941 -33.0852 -0.0080 36.9775 -2.8291 -0.0053 61.5006 -11.0586 -0.0048 0.0298 -8994.6448 -2017.6457 -352.8548 -18.2049 0.0034 -12.4616 0.0823 0.0192 0.1960 -1814.5152 -1441.8877 -424.7200 0.1424 -0.0066 -8.1530 0 -2759.5156319 9.638E-9 3.233E-4 -8.0376739,-0.1373252,8.1749991,-0.6944466,0.0002049,0.0083424 C01 [X(C12H5Cl5)] 0.3040794 -0.3722389 0.0001256 @ -0.000112713 -0.000189155 -0.000001635 0.000373141 -0.000535710 -0.000000601 0.000148845 0.000008439 -0.000002135 0.000814459 0.000033322 -0.000000785 0.000650936 -0.000015782 0.000000034 0.000535051 0.000580291 -0.000002760 -0.000070608 -0.000304890 -0.000001947 -0.000244884 -0.000058105 0.000006252 0.000043044 -0.000533129 0.000000730 -0.000317420 0.000074076 0.000035424 -0.000314507 0.000079784 -0.000033765 -0.000056791 0.000576291 0.000000654 -0.000121599 0.000417761 0.000001174 -0.000829773 -0.000157235 0.000000614 0.000550507 -0.000008468 -0.000027876 0.000546312 -0.000008470 0.000027326 -0.001464507 0.000027848 -0.000000620 -0.000040831 0.000077811 -0.000000589 0.000033846 -0.000035697 0.000059941 0.000033482 -0.000035958 -0.000060068 -0.000078347 0.000003604 0.000073348 -0.000077644 0.000003373 -0.000072717 321.3933999999999 AuxInfo=1/0/N:10,11,15,16,9,7,17,6,13,8,14,12,5,3,1,4,2/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3/rA:22ClClClClClC3C3C3C3C3C3C3C3C3C3C3C3HHHHH/rB:;;;;;s6;s1s6;s6;s7;s7;s2s8;s3s9;s4s12s13;s10;s11;s5s15s16;s9;s10;s11;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2025 CBGUSER 000053036 EM64L-G09RevD.01 18-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 60 C1[X(C12H5Cl5)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 321.3933999999999 0 1 AuxInfo=1/0/N:10,11,15,16,9,7,17,6,13,8,14,12,5,3,1,4,2/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3/rA:22ClClClClClC3C3C3C3C3C3C3C3C3C3C3C3HHHHH/rB:;;;;;s6;s1s6;s6;s7;s7;s2s8;s3s9;s4s12s13;s10;s11;s5s15s16;s9;s10;s11;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7373.inp" -scrdir="/scratch/" chk=000053036-Freq.chk nprocshared=4 mem=7GB #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 000053036 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 35 35 35 35 35 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 34.9688527 34.9688527 34.9688527 34.9688527 34.9688527 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 3 3 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 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 (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| 0.001464 0.000322 0.004653 0.001635 0.000450 0.000300 0.001800 0.001200 NO NO NO NO -7.532360e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1658.5942226102 220 488 220 81 81 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 22 22 22 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 0 321.3933999999999 AuxInfo=1/0/N:10,11,15,16,9,7,17,6,13,8,14,12,5,3,1,4,2/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3/rA:22ClClClClClC3C3C3C3C3C3C3C3C3C3C3C3HHHHH/rB:;;;;;s6;s1s6;s6;s7;s7;s2s8;s3s9;s4s12s13;s10;s11;s5s15s16;s9;s10;s11;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.223225 0.000000 6.422754 5.587121 0.000000 5.581566 3.222297 3.254185 0.000000 6.684922 9.667977 9.473797 10.792025 0.000000 2.786877 4.125472 4.101713 4.657382 6.137165 0.000000 3.116120 5.351142 5.275695 6.157755 4.636563 1.500832 0.000000 1.807648 2.796958 4.615196 4.115595 7.016586 1.418035 2.558524 0.000000 4.096054 4.619841 2.768317 4.110552 6.925721 1.415016 2.518071 2.430371 0.000000 3.717555 6.113040 6.007688 6.983195 4.104581 2.533340 1.417755 3.441400 3.385703 0.000000 3.716103 6.112173 6.008565 6.983189 4.104582 2.533364 1.417754 3.440742 3.386447 2.444736 0.000000 2.795986 1.801183 4.116073 2.798424 8.407447 2.468633 3.857323 1.416088 2.818661 4.712565 4.712090 0.000000 4.616215 4.099820 1.807082 2.797070 8.321023 2.455478 3.819383 2.808567 1.406386 4.661306 4.661839 2.437852 0.000000 4.117697 2.790173 2.806306 1.799503 8.993295 2.857885 4.358352 2.453428 2.451031 5.221184 5.221206 1.417287 1.412827 0.000000 4.686963 7.389977 7.242267 8.377777 2.791646 3.833971 2.460265 4.726502 4.651644 1.412402 2.830195 6.058170 5.989225 6.603497 0.000000 4.685807 7.389257 7.242997 8.377772 2.791647 3.833987 2.460264 4.726021 4.652188 2.830195 1.412402 6.057799 5.989642 6.603514 2.460439 0.000000 5.082671 7.930606 7.766412 8.972530 1.820101 4.317093 2.816463 5.229769 5.147645 2.428333 2.428334 6.607034 6.531331 7.173571 1.408490 1.408491 0.000000 4.958265 5.713114 2.878830 4.963369 6.599678 2.171693 2.712019 3.423541 1.093301 3.410750 3.412001 3.911931 2.166332 3.436755 4.489578 4.490532 4.921068 0.000000 3.869637 5.918894 5.842306 6.696549 4.962056 2.745618 2.181137 3.479357 3.444565 1.095231 3.439377 4.575744 4.539521 5.028645 2.170438 3.925412 3.420207 3.560240 0.000000 3.867168 5.917311 5.843908 6.696542 4.962053 2.745663 2.181139 3.478209 3.445865 3.439378 1.095230 4.574881 4.540496 5.028690 3.925411 2.170435 3.420205 3.562369 4.348029 0.000000 5.427183 8.103320 7.946951 9.103671 2.921641 4.715676 3.453932 5.544981 5.469712 2.184049 3.923995 6.831917 6.760652 7.369230 1.093827 3.448534 2.177598 5.271481 2.508141 5.019198 0.000000 5.425416 8.102156 7.948123 9.103658 2.921646 4.715695 3.453928 5.544253 5.470525 3.923993 2.184045 6.831332 6.761300 7.369253 3.448534 1.093825 2.177600 5.272914 5.019197 2.508132 4.347163 0.000000 C12H5Cl5 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 0 321.3933999999999 AuxInfo=1/0/N:10,11,15,16,9,7,17,6,13,8,14,12,5,3,1,4,2/E:(1,2)(3,4)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3/rA:22ClClClClClC3C3C3C3C3C3C3C3C3C3C3C3HHHHH/rB:;;;;;s6;s1s6;s6;s7;s7;s2s8;s3s9;s4s12s13;s10;s11;s5s15s16;s9;s10;s11;s15;s16;/rC:;;;;;;;;;;;;;;;;;;;;;; 0.5225625 0.1348882 0.1115306 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= 41983 LenC2= 7073 LenP2D= 21828. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 3.74D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 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= 199 200 200 200 200 MxSgAt= 22 MxSgA2= 22. 1 Closed 1 0 1 -2759.29023474434 -2759.28070683943 0.009527904906 -2759.39473720254 -0.114030363105 -2759.19002441828 0.204712784259 -2759.49612800008 -0.306103581805 -2759.51275888305 -0.016630882964 -2759.51522748696 -0.002468603916 -2759.51541111793 -0.000183630969 -2759.51543456127 -0.000023443337 -2759.51543610203 -0.000001540766 -2759.51563266666 -0.000196564621 -2759.51563300786 -0.000000341206 -2759.51563256301 0.000000444851 -2759.51563322094 -0.000000657932 -2759.51563323045 -0.000000009511 -2759.51563323175 -0.000000001294 -2759.51563323188 -0.000000000127 -2759.51563323194 -0.000000000065 -2759.51563323189 0.000000000054 -2759.51563323 19 2.750731212758e+03 -9.849040269793e+03 2.680199201193e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=301063811. IVT= 166786 IEndB= 166786 NGot= 939524096 MDV= 643857106 LenX= 643857106 LenY= 643808265 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= 24310 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= 22. Will process 23 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111 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= 939523652 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=300904016. 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= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 69 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 66 vectors produced by pass 0 Test12= 1.63D-14 1.45D-09 XBig12= 4.94D+02 1.04D+01. AX will form 66 AO Fock derivatives at one time. 66 vectors produced by pass 1 Test12= 1.63D-14 1.45D-09 XBig12= 6.74D+01 1.36D+00. 66 vectors produced by pass 2 Test12= 1.63D-14 1.45D-09 XBig12= 6.37D-01 1.20D-01. 66 vectors produced by pass 3 Test12= 1.63D-14 1.45D-09 XBig12= 1.61D-03 4.15D-03. 65 vectors produced by pass 4 Test12= 1.63D-14 1.45D-09 XBig12= 6.68D-07 1.06D-04. 24 vectors produced by pass 5 Test12= 1.63D-14 1.45D-09 XBig12= 1.87D-10 1.43D-06. 3 vectors produced by pass 6 Test12= 1.63D-14 1.45D-09 XBig12= 3.99D-14 1.99D-08. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 356 with 69 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 179.41 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 272.442 6.941 161.928 -0.003 0.014 103.858 459.149 15.337 311.336 -0.006 0.056 200.404 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1367.700S 2017-05-18T02:12:17.000+02:00 -100.73420 -100.73384 -100.73127 -100.73044 -100.71405 -10.01171 -10.01109 -10.00577 -10.00514 -9.98345 -9.96781 -9.95436 -9.94902 -9.93744 -9.93740 -9.93711 -9.93711 -9.21298 -9.21264 -9.21015 -9.20928 -9.19309 -7.03952 -7.03919 -7.03644 -7.03556 -7.02489 -7.02457 -7.02393 -7.02357 -7.02206 -7.02138 -7.02135 -7.02036 -7.01887 -7.00514 -7.00472 -0.87611 -0.83376 -0.82687 -0.81521 -0.79090 -0.78379 -0.76968 -0.71928 -0.70735 -0.68869 -0.67061 -0.59464 -0.58123 -0.57864 -0.54851 -0.49905 -0.48971 -0.47007 -0.44555 -0.43999 -0.43147 -0.42169 -0.41285 -0.40973 -0.40388 -0.38530 -0.37956 -0.36349 -0.35216 -0.34221 -0.34212 -0.32835 -0.31024 -0.30691 -0.30665 -0.30016 -0.29232 -0.28794 -0.27946 -0.27308 -0.25575 -0.24877 -0.24037 -0.23564 -0.09140 -0.08582 -0.08217 -0.06668 -0.06410 -0.03903 -0.02485 -0.00318 0.00276 0.05049 0.06911 0.08397 0.10233 0.12833 0.12965 0.14309 0.14801 0.15898 0.17346 0.18711 0.19007 0.20171 0.22303 0.23806 0.24857 0.25948 0.27416 0.28776 0.29334 0.29384 0.30381 0.32193 0.32515 0.33299 0.33322 0.33495 0.33948 0.35098 0.35107 0.36164 0.36496 0.37383 0.38436 0.38624 0.38826 0.40127 0.41130 0.41603 0.42032 0.44645 0.44750 0.47091 0.48940 0.49644 0.50152 0.50293 0.51619 0.53845 0.53849 0.57778 0.59434 0.60836 0.61453 0.62193 0.62816 0.63147 0.64639 0.66138 0.67183 0.67862 0.68834 0.69309 0.71477 0.72185 0.72830 0.74412 0.75684 0.77809 0.78976 0.80574 0.85148 0.86621 0.89058 0.91290 0.91845 0.92648 0.94161 0.95104 0.97909 1.00873 1.02030 1.04915 1.10564 1.12848 1.14553 1.16211 1.19580 1.20258 1.23124 1.31283 1.35546 1.44866 5.81376 5.82352 5.84752 5.85400 5.85765 5.86465 5.87047 5.88127 5.88244 5.89335 5.89499 5.89918 5.90300 5.91909 5.98006 8.64768 8.79413 8.80874 8.88493 8.93921 22.19402 22.36875 22.49268 22.51702 22.54333 22.56315 22.61686 22.63378 22.64307 22.65958 22.75035 22.75824 217.53346 217.69600 217.71484 217.80286 217.85518 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 Cl Cl Cl Cl Cl C C C C C C C C C C C C H H H H H 0.031733 0.045791 0.009860 0.055745 -0.045725 0.444081 0.279095 -0.344895 -0.389176 -0.342118 -0.342075 -0.024325 -0.079539 -0.102340 -0.198043 -0.198034 -0.109208 0.285711 0.251867 0.251867 0.259863 0.259865 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 Cl Cl Cl Cl Cl C C C C C C C C C C C C 0.031733 0.045791 0.009860 0.055745 -0.045725 0.444081 0.279095 -0.344895 -0.103465 -0.090251 -0.090208 -0.024325 -0.079539 -0.102340 0.061821 0.061831 -0.109208 0.00000 3.00894295e-01 -3.74854724e-01 1.25964563e-04 2.72442425e+02 6.94098461e+00 1.61927810e+02 -2.99828642e-03 1.42374387e-02 1.03858385e+02 -37.4206 0.0023 0.0026 0.0031 2.1194 3.5146 7.9517 35.9012 39.7986 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -37.4205 35.8944 39.7858 77.4282 84.9583 134.7274 164.6720 194.7998 197.1773 210.1168 225.3595 254.4807 286.7166 315.3992 317.0779 335.9465 396.7865 403.0213 423.4042 467.6094 517.2419 537.5257 578.1390 604.8192 608.3111 642.0013 702.8178 720.5095 737.9817 776.7466 825.5924 829.2625 832.0978 883.4339 950.9131 965.3960 996.9881 1015.2766 1072.4916 1098.4847 1106.4097 1167.8399 1185.7119 1266.9281 1292.1269 1320.4882 1342.0901 1352.1262 1388.2854 1399.9398 1479.7975 1526.6032 1571.3793 1576.2327 1602.1500 3145.1994 3146.3637 3171.5158 3171.7019 3174.8674 4.0075 20.1586 15.9943 32.0091 12.8119 9.5420 18.7315 10.9619 29.5551 34.6599 20.8207 6.6015 6.4014 8.3504 18.6209 29.0529 6.0408 3.1568 12.4437 4.1891 10.2703 5.4966 3.8872 12.0360 8.0737 9.1009 8.1168 3.8815 5.7882 7.7071 4.7752 1.2447 1.9290 1.4497 1.3355 1.3689 5.4888 6.5780 3.1965 3.9916 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