Gaussian 09 GINC-KIMIK2070 CBGUSER 000015112 EM64L-G09RevD.01 19-Apr-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 64.0455 0 1 AuxInfo=1/0/N:3,4,5,2,1/E:(1,2)/CRV:3.2,4.1/rA:11NN1CCC2HHHHHH/rB:;s1;s1;s1s2;s3;s3;s3;s4;s4;s4;/rC:;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27724.inp" -scrdir="/scratch/" chk=000015112.chk nprocshared=4 mem=3GB #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 000015112 1 2 3 4 5 6 7 8 9 10 11 14 14 12 12 12 1 1 1 1 1 1 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 2 0 0 0 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 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 1 1 2 3 3 3 4 4 4 3 4 5 5 6 7 8 9 10 11 1.4884 1.4881 1.3493 1.1601 1.0944 1.0947 1.0942 1.0943 1.0942 1.0948 estimate D2E/DX2|estimate D2E/DX2|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 3 3 4 1 1 1 6 6 7 1 1 1 9 9 10 1 1 1 3 3 3 3 3 3 4 4 4 4 4 4 4 5 5 6 7 8 7 8 8 9 10 11 10 11 11 111.5371 122.1073 122.1133 109.9901 110.2484 110.546 108.8009 109.2724 107.9346 109.996 110.5533 110.2465 109.259 108.7965 107.9408 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A16 A17 1 1 5 5 2 2 7 7 -1 -2 179.9899 estimate D2E/DX2|estimate D2E/DX2 179.996 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 4 4 4 5 5 5 3 3 3 5 5 5 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 4 4 4 4 4 4 6 7 8 6 7 8 9 10 11 9 10 11 -70.5711 169.4472 50.1875 86.6976 -33.2841 -152.5438 70.5679 -50.1825 -169.4533 -86.6992 152.5504 33.2795 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 49 100 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 11 11 11 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= 903 NPrTT= 4588 LenC2= 897 LenP2D= 3604. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 62 RedAO= T EigKep= 7.14D-03 NBF= 62 NBsUse= 62 1.00D-06 EigRej= -1.00D+00 NBFU= 62 Using GEDIIS/GDIIS optimizer. local minimum Step number 9 out of a maximum of 49 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00029 0.00524 0.00573 0.06688 0.07123 0.07263 0.07330 0.07461 0.07522 0.13712 0.16000 0.16000 0.16052 0.16153 0.17167 0.23241 0.24835 0.30157 0.33785 0.34270 0.34298 0.34314 0.34332 0.34399 0.35398 0.57510 1.17910 RFO step: Lambda=-2.98524411D-08. 1 2 0.00034464 0.00000012 0.00000812 0.00000812 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 2.78837 2.78839 2.54019 2.27658 2.09543 2.08061 2.09047 2.09543 2.09047 2.08061 2.05736 2.10504 2.10507 1.94315 1.91492 1.91754 1.89622 1.89701 1.89416 1.94317 1.91755 1.91492 1.89700 1.89622 1.89415 3.14129 3.11884 -1.11700 3.06649 0.98543 1.83619 -0.26351 -2.34457 1.11720 -0.98523 -3.06628 -1.83599 2.34477 0.26372 0.00004 0.00003 0.00004 0.00007 -0.00001 0.00000 -0.00001 -0.00002 -0.00001 0.00000 0.00006 -0.00002 -0.00004 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00003 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00009 0.00007 0.00008 0.00009 0.00001 -0.00001 -0.00001 0.00001 -0.00002 -0.00001 0.00005 -0.00014 -0.00018 0.00005 -0.00011 -0.00006 0.00004 0.00005 0.00004 0.00004 -0.00009 -0.00011 0.00006 0.00005 0.00005 -0.00040 -0.00008 -0.00018 -0.00019 -0.00013 -0.00130 -0.00131 -0.00125 0.00017 0.00013 0.00019 0.00128 0.00124 0.00131 0.00008 0.00008 0.00001 -0.00001 -0.00005 0.00001 -0.00003 -0.00005 -0.00003 0.00001 0.00018 -0.00006 -0.00006 -0.00011 0.00005 -0.00002 0.00005 0.00001 0.00003 -0.00011 -0.00001 0.00005 0.00000 0.00005 0.00003 0.00000 0.00034 0.00028 0.00026 0.00020 0.00066 0.00064 0.00059 -0.00032 -0.00024 -0.00030 -0.00070 -0.00062 -0.00068 0.00016 0.00015 0.00008 0.00008 -0.00004 0.00000 -0.00004 -0.00004 -0.00004 0.00000 0.00025 -0.00017 -0.00021 -0.00006 -0.00006 -0.00009 0.00009 0.00005 0.00007 -0.00007 -0.00010 -0.00006 0.00006 0.00010 0.00008 -0.00040 0.00026 0.00010 0.00007 0.00007 -0.00063 -0.00067 -0.00066 -0.00014 -0.00011 -0.00010 0.00059 0.00062 0.00062 2.78854 2.78854 2.54027 2.27666 2.09539 2.08061 2.09043 2.09539 2.09043 2.08061 2.05761 2.10487 2.10487 1.94309 1.91485 1.91745 1.89632 1.89707 1.89423 1.94310 1.91745 1.91486 1.89707 1.89632 1.89423 3.14089 3.11910 -1.11690 3.06655 0.98550 1.83556 -0.26418 -2.34523 1.11706 -0.98534 -3.06638 -1.83540 2.34539 0.26434 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000069 0.000021 0.001066 0.000345 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.639250e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 1 1 2 3 3 3 4 4 4 3 4 5 5 6 7 8 9 10 11 1.4755 1.4756 1.3442 1.2047 1.1089 1.101 1.1062 1.1089 1.1062 1.101 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 3 3 4 1 1 1 6 6 7 1 1 1 9 9 10 1 1 1 3 3 3 3 3 3 4 4 4 4 4 4 4 5 5 6 7 8 7 8 8 9 10 11 10 11 11 117.8779 120.6097 120.6119 111.3344 109.7166 109.8669 108.6456 108.6909 108.5275 111.3356 109.8674 109.7166 108.6902 108.6453 108.5268 -DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A16 1 5 2 7 -1 179.9825 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 4 4 4 5 5 5 3 3 3 5 5 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 3 3 4 4 4 4 4 6 7 8 6 7 8 9 10 11 9 10 -63.9996 175.6967 56.4607 105.2059 -15.0979 -134.3339 64.0109 -56.4496 -175.6849 -105.1943 134.3453 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 64.0455 AuxInfo=1/0/N:3,4,5,2,1/E:(1,2)/CRV:3.2,4.1/rA:11NN1CCC2HHHHHH/rB:;s1;s1;s1s2;s3;s3;s3;s4;s4;s4;/rC:;;;;;;;;;;; 0.000000 2.509453 0.000000 1.488382 3.533068 0.000000 1.488134 3.533103 2.460900 0.000000 1.349349 1.160105 2.484135 2.483986 0.000000 2.127598 3.942110 1.094396 2.798051 2.980525 0.000000 2.131084 3.488405 1.094722 3.404634 2.660437 1.779983 0.000000 2.134396 4.439870 1.094186 2.645713 3.337730 1.784774 1.770129 0.000000 2.127398 3.942207 2.798021 1.094320 2.980430 2.694700 3.814282 3.088493 0.000000 2.134294 4.439980 2.645727 1.094218 3.337702 3.088538 3.618249 2.357900 1.784591 0.000000 2.130879 3.488517 3.404723 1.094772 2.660269 3.814352 4.223400 3.618312 1.779913 1.770265 0.000000 9.1119429 3.9520003 2.8716938 -0.89223 -0.82608 -0.67267 -0.65306 -0.50141 -0.44576 -0.43639 -0.38870 -0.37844 -0.35555 -0.32361 -0.29450 -0.28560 -0.20039 -0.00438 0.03285 0.05061 0.09075 0.11066 0.11190 0.14038 0.14937 0.16703 0.16874 0.19133 0.19977 0.25901 0.26344 0.28519 0.30384 0.34051 0.34648 0.34920 0.37149 0.46726 0.52530 0.59989 0.61257 0.62950 0.74153 0.81686 0.83360 0.90551 0.94609 1.01083 1.03294 1.04640 1.09060 1.10118 1.21216 1.30958 1.35695 22.41945 22.52388 22.55224 31.44291 31.51723 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 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 -14.05432 -13.98949 -9.95387 -9.94439 -9.94437 -0.89223 -0.82608 -0.67267 -0.65306 -0.50141 -0.44576 -0.43639 -0.38870 -0.37844 -0.35555 -0.32361 -0.29450 -0.28560 -0.20039 -0.00438 0.03285 0.05061 0.09075 0.11066 0.11190 0.14038 0.14937 0.16703 0.16874 0.19133 0.19977 0.25901 0.26344 0.28519 0.30384 0.34051 0.34648 0.34920 0.37149 0.46726 0.52530 0.59989 0.61257 0.62950 0.74153 0.81686 0.83360 0.90551 0.94609 1.01083 1.03294 1.04640 1.09060 1.10118 1.21216 1.30958 1.35695 22.41945 22.52388 22.55224 31.44291 31.51723 0.59311 0.00004 -0.00004 0.00000 -0.00001 -0.11060 0.04421 -0.00001 0.03422 -0.04208 0.00000 -0.00804 0.01005 0.00000 0.00000 -0.00605 0.00000 0.00990 -0.01259 0.00008 -0.08128 -0.00999 0.02443 0.00292 -0.00004 0.00000 -0.00922 -0.00002 0.00924 -0.00001 -0.00202 0.04094 0.00004 0.04979 0.00000 -0.02690 -0.00357 0.00021 0.00005 0.00775 0.00095 -0.00191 0.00000 0.01386 0.01403 0.00001 0.00490 0.00001 -0.05216 -0.00072 0.00423 0.00000 -0.00647 -0.00001 0.00003 0.05556 0.13097 -0.01415 0.00261 -0.00001 -1.67454 0.54616 0.44312 0.00005 0.00004 0.00001 0.00001 -0.14188 0.05694 -0.00001 0.04445 -0.05471 0.00000 -0.01058 0.01306 0.00000 -0.00001 -0.00792 0.00000 0.01286 -0.01661 0.00011 -0.10665 -0.01343 0.03078 0.00454 -0.00007 0.00000 -0.01065 -0.00002 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-0.06033 0.20567 -0.02985 0.00257 0.01089 -0.03642 -0.02161 -0.01820 0.02513 -0.05933 0.06250 0.02104 -0.02734 -0.08601 -0.00055 -0.07430 0.07407 -0.00181 -0.00646 0.00040 -0.02884 -0.14370 0.07485 -0.01931 0.00195 -0.05172 -0.01522 -0.14651 -0.07363 0.10054 0.01335 0.00018 -0.10829 0.11779 0.19158 0.32381 -0.09872 0.87701 0.59785 -0.39557 0.05643 -0.88940 -0.04324 0.13120 0.01925 0.01278 0.00829 0.00457 -0.00334 -0.00066 -0.00009 -0.00020 0.00021 0.00342 -0.00386 0.00764 -0.00964 0.01561 -0.05168 0.00120 0.02434 -0.08655 -0.04319 0.15112 -0.01728 0.01571 0.01028 -0.04120 0.04623 -0.33045 0.02842 -0.98277 0.58305 0.08099 -0.51186 -0.68942 -0.06236 -0.69697 1.35903 -0.13758 -0.33615 0.14089 -0.28286 -1.87026 -0.00233 -0.11205 -0.83272 -0.22335 -0.14945 -0.11188 -0.06987 -0.00356 -0.29404 -0.59860 0.61578 -1.18514 -1.09011 -0.48619 0.09984 -0.98982 -1.39240 1.05956 0.03783 1.44250 0.26299 0.30860 -0.05413 -0.12144 -0.07995 0.03936 -0.00928 1 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 11 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 1 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S|11 H 1S|2S 1.15907 0.83139 0.81323 0.64138 0.90880 0.93449 1.25545 0.05314 0.07965 0.44399 1.16033 0.82972 0.94272 0.72049 1.05550 0.77604 0.92294 0.17286 0.19845 0.25854 1.17428 0.81438 0.73783 0.69114 0.90179 0.82461 0.95832 0.16701 0.11753 0.20138 1.17428 0.81438 0.73782 0.69110 0.90181 0.82468 0.95835 0.16700 0.11753 0.20138 1.17442 0.81435 0.77352 0.19628 0.92274 0.84373 0.83347 0.12498 0.22557 0.19461 0.51615 0.24982 0.51306 0.23454 0.51507 0.25211 0.51619 0.24978 0.51506 0.25214 0.51304 0.23459 5.1577 -0.0003 -0.2702 5.1648 -36.6366 -26.5933 -30.9484 -0.0014 -0.4470 -0.0002 -5.2439 4.7995 0.4444 -0.0014 -0.4470 -0.0002 15.3044 -0.0018 -0.5815 -2.0087 0.0003 2.7550 -3.1096 -0.0010 1.6022 -0.0004 -413.1532 -172.9732 -43.9005 -0.0050 5.2695 -0.0036 -0.0017 -1.2086 0.0002 -89.4442 -67.8084 -37.8003 -0.0014 0.5144 -0.0018 0 0 0 0 0 0 0 0 0 0 0 64.0455 AuxInfo=1/0/N:3,4,5,2,1/E:(1,2)/CRV:3.2,4.1/rA:11NN1CCC2HHHHHH/rB:;s1;s1;s1s2;s3;s3;s3;s4;s4;s4;/rC:;;;;;;;;;;; 0.000000 2.548809 0.000000 1.475544 3.536990 0.000000 1.475550 3.536683 2.527961 0.000000 1.344209 1.204713 2.450309 2.450340 0.000000 2.144130 4.148747 1.108854 2.861149 3.098893 0.000000 2.117929 3.374153 1.101011 3.450745 2.550587 1.795114 0.000000 2.123770 4.356040 1.106231 2.782627 3.245627 1.799859 1.791653 0.000000 2.144151 4.148372 2.861254 1.108854 3.098862 2.751987 3.855616 3.215143 0.000000 2.123781 4.355863 2.782557 1.106230 3.245708 3.214871 3.757726 2.578787 1.799851 0.000000 2.117935 3.373648 3.450738 1.101011 2.550661 3.855581 4.230838 3.757708 1.795110 1.791644 0.000000 8.7309620 3.9997836 2.8467244 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= 62 62 62 62 62 MxSgAt= 11 MxSgA2= 11. 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 11 11 11 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 11 11 11 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 11 11 11 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 11 11 11 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 11 11 11 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 11 11 11 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 11 11 11 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 11 11 11 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= 903 NPrTT= 4588 LenC2= 896 LenP2D= 3593. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 62 RedAO= T EigKep= 7.33D-03 NBF= 62 NBsUse= 62 1.00D-06 EigRej= -1.00D+00 NBFU= 62 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= 62 62 62 62 62 MxSgAt= 11 MxSgA2= 11. 1 Closed 1 0 1 -226.958461091978 -226.918754720765 0.039706371213 -227.041413391695 -0.122658670930 -227.059528316157 -0.018114924462 -227.066625085144 -0.007096768987 -227.067306915326 -0.000681830182 -227.067325087576 -0.000018172250 -227.067325840361 -0.000000752785 -227.067268870454 0.000056969907 -227.067268895596 -0.000000025142 -227.067268888041 0.000000007555 -227.067268897817 -0.000000009776 -227.067268898448 -0.000000000631 -227.067268898480 -0.000000000032 -227.067268898482 -0.000000000003 -227.067268898 15 2.261123184535e+02 -8.507000089478e+02 2.363227405072e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2820905. IVT= 30848 IEndB= 30848 NGot= 402653184 MDV= 400714256 LenX= 400714256 LenY= 400709971 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= 1953 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 2.02919446e+00 -1.26775930e-04 -1.06305909e-01 1 2 3 4 5 6 7 8 9 10 11 7 7 6 6 6 1 1 1 1 1 1 0.017349588 -0.000100225 0.005287408 -0.094990550 -0.000009544 -0.005944435 -0.016825903 0.000438238 0.001900425 -0.016773092 -0.000327151 0.001937628 0.101577394 0.000001297 0.004740590 0.003930967 -0.002886750 -0.008875189 -0.003219067 -0.003719669 0.000922689 0.004113991 0.003136763 0.004019332 0.003936111 0.002894337 -0.008934666 0.004088168 -0.003128181 0.004026182 -0.003187608 0.003700886 0.000920034 0.101577394 0.025010121 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -227.073726657023 -227.073748316097 -0.000021659074 -227.073748396491 -0.000000080393 -227.073748418745 -0.000000022254 -227.073748433179 -0.000000014434 -227.073748436298 -0.000000003119 -227.073748436336 -0.000000000038 -227.073748436338 -0.000000000002 -227.073748436 8 2.259106248436e+02 -8.487694594731e+02 2.354789498167e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2820905. IVT= 30848 IEndB= 30848 NGot= 402653184 MDV= 400714256 LenX= 400714256 LenY= 400709971 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= 1953 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 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 -14.057416 -13.992971 -9.957348 -9.948440 -9.948429 -0.896420 -0.807155 -0.679113 -0.649031 -0.504090 -0.451504 -0.436016 -0.383262 -0.377272 -0.363350 -0.316041 -0.288157 -0.283703 -0.198242 -0.012079 0.033804 0.043957 0.087752 0.100195 0.107768 0.139658 0.149994 0.153273 0.162347 0.179762 0.196969 0.253514 0.261948 0.280294 0.295138 0.326894 0.361595 0.369995 0.380538 0.467400 0.532758 0.595247 0.609511 0.633279 0.699533 0.829471 0.841482 0.891348 0.896188 1.008831 1.018814 1.036175 1.072528 1.074454 1.196478 1.303162 1.349920 22.403132 22.513192 22.543779 31.436622 31.503614 22.048917 22.048983 15.952317 15.957740 15.958952 1.940876 2.217687 1.457053 1.618382 1.479748 1.325917 1.019941 1.157556 1.027615 1.163025 1.323372 2.014685 1.480668 1.761876 1.853284 1.585314 1.914775 1.314651 1.357873 1.197726 1.193312 0.950055 0.923063 0.912072 1.237375 1.491444 1.886646 1.351695 1.496754 0.942491 2.348054 1.869154 1.245895 2.505671 1.272546 2.432841 2.147350 2.099341 2.161248 2.328106 3.365326 2.332165 4.424250 3.122565 2.574671 2.548437 2.446976 2.521256 2.790431 2.545147 3.844933 3.969701 57.405142 57.395506 57.395386 80.071021 80.061203 2.259106248436D+02 PT196.400S 2017-04-19T19:03:04.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 N N C C C H H H H H H -0.120606 -0.037575 -0.588271 -0.588336 -0.103672 0.234025 0.252399 0.232829 0.234033 0.232807 0.252367 0.00000 -0.89642 -0.80716 -0.67911 -0.64903 -0.50409 -0.45150 -0.43602 -0.38326 -0.37727 -0.36335 -0.31604 -0.28816 -0.28370 -0.19824 -0.01208 0.03380 0.04396 0.08775 0.10020 0.10777 0.13966 0.14999 0.15327 0.16235 0.17976 0.19697 0.25351 0.26195 0.28029 0.29514 0.32689 0.36159 0.36999 0.38054 0.46740 0.53276 0.59525 0.60951 0.63328 0.69953 0.82947 0.84148 0.89135 0.89619 1.00883 1.01881 1.03618 1.07253 1.07445 1.19648 1.30316 1.34992 22.40313 22.51319 22.54378 31.43662 31.50361 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 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 -14.05742 -13.99297 -9.95735 -9.94844 -9.94843 -0.89642 -0.80716 -0.67911 -0.64903 -0.50409 -0.45150 -0.43602 -0.38326 -0.37727 -0.36335 -0.31604 -0.28816 -0.28370 -0.19824 -0.01208 0.03380 0.04396 0.08775 0.10020 0.10777 0.13966 0.14999 0.15327 0.16235 0.17976 0.19697 0.25351 0.26195 0.28029 0.29514 0.32689 0.36159 0.36999 0.38054 0.46740 0.53276 0.59525 0.60951 0.63328 0.69953 0.82947 0.84148 0.89135 0.89619 1.00883 1.01881 1.03618 1.07253 1.07445 1.19648 1.30316 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-0.01330 -0.05901 0.01736 -0.15903 0.03999 0.08858 -0.00810 -0.02993 0.12921 -0.08275 0.17294 -0.19969 0.73480 0.52782 0.58761 -0.00286 -0.41210 -0.89301 -0.08839 0.15470 0.01922 0.01226 -0.00861 0.00333 -0.00511 -0.00082 -0.00029 -0.00009 0.00208 0.00262 -0.00330 0.01141 0.00957 0.01674 -0.05283 -0.00279 0.01307 -0.09561 0.01248 0.15695 -0.00891 0.01598 0.00728 -0.01944 0.05584 -0.39936 0.05637 -1.00990 0.41081 0.10645 0.63629 0.05625 -0.83734 -0.45369 1.30955 0.05705 -0.37394 0.06775 -0.31059 -1.71272 -0.08544 0.17015 -0.04665 -0.71157 -0.14203 -0.08481 0.00361 0.14308 -0.28856 -0.75731 -0.96920 0.65292 -0.60822 1.11317 -0.80742 -0.60054 -1.43427 0.11954 0.97390 1.33435 0.55177 0.24145 -0.05373 -0.11701 0.08283 0.04958 0.00011 1 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 11 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 1 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S|11 H 1S|2S 1.15904 0.83142 0.81322 0.62442 0.92140 0.94125 1.25123 0.05688 0.06703 0.43295 1.16043 0.82967 0.94919 0.75152 1.01755 0.76379 0.92790 0.18222 0.21073 0.28081 1.17429 0.81442 0.73638 0.69733 0.91390 0.80891 0.95444 0.17064 0.10434 0.20803 1.17429 0.81442 0.73638 0.69733 0.91390 0.80889 0.95444 0.17065 0.10433 0.20803 1.17448 0.81439 0.77818 0.21021 0.91128 0.82994 0.81888 0.10853 0.24444 0.20158 0.51018 0.25870 0.50960 0.23854 0.51067 0.25738 0.51017 0.25870 0.51067 0.25739 0.50960 0.23853 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 N N C C C H H H H H H -0.098823 -0.073811 -0.582653 -0.582656 -0.091911 0.231121 0.251855 0.231942 0.231129 0.231942 0.251865 0.00000 2.03950430e+00 -1.59896865e-04 -2.12227323e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.1839 -0.0004 -0.5394 5.2119 -37.0019 -26.4524 -31.0297 0.0013 0.4972 -0.0002 -5.5072 5.0423 0.4650 0.0013 0.4972 -0.0002 12.1503 -0.0004 -2.4852 -2.4510 -0.0031 -1.2752 -2.5832 0.0000 0.1162 0.0001 -411.8229 -180.7751 -45.8367 0.0230 21.6534 0.0140 0.0012 11.7954 0.0003 -90.3397 -66.6590 -39.9868 -0.0004 4.1223 0.0047 0 -227.0737484 9.589E-9 2.679E-5 -4.0944813,3.7487966,0.3456846,0.0010014,0.3696554,-0.0001148 C01 [X(C3H6N2)] 2.0395043 -0.0001599 -0.2122273 @ 0.000055416 -0.000016128 -0.000003312 -0.000069317 -0.000015583 0.000000835 0.000014979 -0.000071882 -0.000009905 0.000007741 0.000074342 -0.000010152 0.000035638 0.000035908 0.000017332 -0.000008465 0.000010314 0.000010589 -0.000004152 0.000007271 0.000002220 -0.000007617 0.000005191 -0.000010622 -0.000009742 -0.000012985 0.000009991 -0.000009059 -0.000008766 -0.000009127 -0.000005422 -0.000007683 0.000002150 64.0455 AuxInfo=1/0/N:3,4,5,2,1/E:(1,2)/CRV:3.2,4.1/rA:11NN1CCC2HHHHHH/rB:;s1;s1;s1s2;s3;s3;s3;s4;s4;s4;/rC:;;;;;;;;;;; Gaussian 09 GINC-KIMIK2070 CBGUSER 000015112 EM64L-G09RevD.01 19-Apr-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 27 C1[X(C3H6N2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 64.0455 0 1 AuxInfo=1/0/N:3,4,5,2,1/E:(1,2)/CRV:3.2,4.1/rA:11NN1CCC2HHHHHH/rB:;s1;s1;s1s2;s3;s3;s3;s4;s4;s4;/rC:;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28181.inp" -scrdir="/scratch/" chk=000015112-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 000015112 1 2 3 4 5 6 7 8 9 10 11 14 14 12 12 12 1 1 1 1 1 1 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 2 0 0 0 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 (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| 0.000098 0.000031 0.034004 0.012969 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.279835e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 160.3061586639 62 144 62 19 19 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 11 11 11 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 64.0455 AuxInfo=1/0/N:3,4,5,2,1/E:(1,2)/CRV:3.2,4.1/rA:11NN1CCC2HHHHHH/rB:;s1;s1;s1s2;s3;s3;s3;s4;s4;s4;/rC:;;;;;;;;;;; 0.000000 2.548809 0.000000 1.475543 3.536989 0.000000 1.475549 3.536682 2.527960 0.000000 1.344209 1.204713 2.450308 2.450340 0.000000 2.144130 4.148747 1.108854 2.861148 3.098893 0.000000 2.117929 3.374153 1.101011 3.450745 2.550586 1.795115 0.000000 2.123770 4.356039 1.106231 2.782627 3.245627 1.799859 1.791653 0.000000 2.144151 4.148372 2.861253 1.108854 3.098862 2.751987 3.855616 3.215142 0.000000 2.123781 4.355863 2.782557 1.106231 3.245708 3.214871 3.757725 2.578787 1.799851 0.000000 2.117934 3.373647 3.450738 1.101011 2.550661 3.855581 4.230838 3.757708 1.795110 1.791644 0.000000 C3H6N2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 64.0455 AuxInfo=1/0/N:3,4,5,2,1/E:(1,2)/CRV:3.2,4.1/rA:11NN1CCC2HHHHHH/rB:;s1;s1;s1s2;s3;s3;s3;s4;s4;s4;/rC:;;;;;;;;;;; 8.7309655 3.9997847 2.8467254 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= 903 NPrTT= 4588 LenC2= 896 LenP2D= 3593. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 62 RedAO= T EigKep= 7.33D-03 NBF= 62 NBsUse= 62 1.00D-06 EigRej= -1.00D+00 NBFU= 62 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= 62 62 62 62 62 MxSgAt= 11 MxSgA2= 11. 1 Closed 1 0 1 -226.967980667442 -226.905063493059 0.062917174383 -227.046987499505 -0.141924006446 -227.063349424592 -0.016361925087 -227.072144951102 -0.008795526509 -227.073690853275 -0.001545902173 -227.073726828638 -0.000035975363 -227.073727721842 -0.000000893205 -227.073745954748 -0.000018232906 -227.073745979696 -0.000000024948 -227.073745954890 0.000000024806 -227.073745992956 -0.000000038065 -227.073745993262 -0.000000000306 -227.073745993276 -0.000000000014 -227.073745993277 -0.000000000002 -227.073745993 15 2.259106628933e+02 -8.487695839054e+02 2.354790163549e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=2821009. IVT= 30952 IEndB= 30952 NGot= 402653184 MDV= 400714152 LenX= 400714152 LenY= 400709867 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= 1953 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= 11. Will process 12 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111 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= 402653008 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=2791713. 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= 1953 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 36 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 33 vectors produced by pass 0 Test12= 2.27D-15 2.78D-09 XBig12= 9.98D+01 6.85D+00. AX will form 33 AO Fock derivatives at one time. 33 vectors produced by pass 1 Test12= 2.27D-15 2.78D-09 XBig12= 1.06D+02 3.12D+00. 33 vectors produced by pass 2 Test12= 2.27D-15 2.78D-09 XBig12= 8.87D-01 2.10D-01. 33 vectors produced by pass 3 Test12= 2.27D-15 2.78D-09 XBig12= 2.00D-04 3.21D-03. 15 vectors produced by pass 4 Test12= 2.27D-15 2.78D-09 XBig12= 1.81D-08 2.64D-05. 2 vectors produced by pass 5 Test12= 2.27D-15 2.78D-09 XBig12= 1.11D-12 2.09D-07. InvSVY: IOpt=1 It= 1 EMax= 6.22D-15 Solved reduced A of dimension 149 with 36 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 42.97 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 61.973 0.000 36.643 0.178 0.000 30.303 124.772 0.007 49.848 1.574 0.001 44.219 (Enter /mnt/data/applications/G09/g09/l716.exe) PT90.100S 2017-04-19T19:03:34.000+02:00 -14.05741 -13.99297 -9.95735 -9.94844 -9.94843 -0.89642 -0.80716 -0.67911 -0.64903 -0.50409 -0.45150 -0.43601 -0.38326 -0.37727 -0.36335 -0.31604 -0.28816 -0.28370 -0.19824 -0.01208 0.03380 0.04396 0.08775 0.10019 0.10777 0.13966 0.15000 0.15327 0.16234 0.17976 0.19697 0.25351 0.26195 0.28030 0.29513 0.32690 0.36159 0.37002 0.38054 0.46740 0.53276 0.59528 0.60951 0.63328 0.69956 0.82947 0.84147 0.89135 0.89619 1.00883 1.01881 1.03617 1.07253 1.07445 1.19648 1.30315 1.34992 22.40314 22.51320 22.54378 31.43663 31.50361 1-A. 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