Gaussian 09 RwB97XD GenECP SP # sp wb97xd/genecp scrf=(smd,solvent=dichloroethane) g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6572.inp" -scrdir="/scratch/" PT7201.900S 2019-06-27T22:34:45.000+02:00 -19.33971 -19.33684 -19.32759 -19.30447 -14.71470 -10.47288 -10.36575 -10.35335 -10.35258 -10.35057 -10.34849 -10.34322 -10.33538 -10.32927 -10.32277 -10.31502 -10.31412 -10.30661 -3.28572 -2.10268 -2.07375 -2.06940 -1.38282 -1.26830 -1.20306 -1.17356 -1.04143 -1.01229 -0.93549 -0.88634 -0.87956 -0.86882 -0.85630 -0.81922 -0.74948 -0.73425 -0.73012 -0.68398 -0.68157 -0.67736 -0.67644 -0.66513 -0.66009 -0.65315 -0.61298 -0.60442 -0.59977 -0.57557 -0.55273 -0.54454 -0.54164 -0.53226 -0.52067 -0.51123 -0.50882 -0.50856 -0.50562 -0.50144 -0.49336 -0.47913 -0.47365 -0.46896 -0.45733 -0.44936 -0.44114 -0.43234 -0.41428 -0.40384 -0.39103 -0.38241 -0.37028 -0.34782 -0.33898 -0.06554 -0.04020 -0.00541 0.03100 0.03174 0.03436 0.04352 0.04540 0.04617 0.05232 0.05644 0.05889 0.06358 0.06824 0.07018 0.07683 0.07997 0.08187 0.08447 0.08609 0.09191 0.09636 0.10409 0.11242 0.11408 0.12640 0.12710 0.13282 0.13842 0.14230 0.14454 0.15309 0.15578 0.15621 0.15889 0.16059 0.16413 0.16639 0.17074 0.17381 0.17575 0.17760 0.17843 0.18206 0.18596 0.18834 0.18967 0.19342 0.19702 0.20071 0.20138 0.20638 0.21009 0.21662 0.22100 0.22341 0.22729 0.22789 0.23021 0.23539 0.23574 0.23957 0.24453 0.24768 0.24874 0.25124 0.25813 0.26335 0.26429 0.26731 0.27241 0.27843 0.28063 0.28309 0.28745 0.28820 0.29418 0.29717 0.29862 0.30383 0.30788 0.31302 0.31803 0.32115 0.32267 0.32592 0.33499 0.33971 0.34358 0.34668 0.35010 0.35236 0.35294 0.36278 0.36474 0.37117 0.37384 0.37875 0.38089 0.38439 0.38707 0.39672 0.39974 0.40838 0.40923 0.41367 0.42045 0.42441 0.42771 0.43317 0.43787 0.44266 0.45202 0.45293 0.45975 0.46505 0.47800 0.48407 0.48832 0.49643 0.50377 0.51221 0.51546 0.52318 0.53579 0.54693 0.55176 0.56585 0.56740 0.57477 0.58017 0.60955 0.61116 0.61773 0.62503 0.63707 0.63845 0.64366 0.64920 0.65439 0.66115 0.66511 0.66794 0.67428 0.68301 0.68750 0.70139 0.71260 0.71585 0.72151 0.72387 0.72862 0.74380 0.74769 0.75341 0.75371 0.76522 0.77022 0.77522 0.78030 0.78434 0.79613 0.80341 0.81118 0.81791 0.82098 0.83273 0.83883 0.84413 0.84860 0.85404 0.85736 0.86234 0.87399 0.87534 0.88829 0.90331 0.91502 0.91942 0.93052 0.93445 0.94862 0.95636 0.95988 0.97051 0.97609 1.00221 1.00770 1.01341 1.02239 1.03183 1.05447 1.05952 1.06748 1.07307 1.08504 1.09332 1.09849 1.10813 1.11907 1.12025 1.13191 1.14143 1.15545 1.16649 1.17653 1.18527 1.19176 1.20501 1.20590 1.21193 1.22598 1.23858 1.24883 1.25986 1.26919 1.28564 1.30606 1.31505 1.32984 1.34006 1.35519 1.37517 1.38299 1.40052 1.40616 1.43433 1.46161 1.47733 1.49548 1.50174 1.51331 1.52548 1.53647 1.57133 1.58033 1.58936 1.59258 1.59697 1.61369 1.61709 1.62279 1.63003 1.63252 1.64493 1.64722 1.66428 1.67108 1.67514 1.69705 1.70404 1.71116 1.72943 1.74659 1.75362 1.76219 1.77473 1.77556 1.79251 1.79460 1.80587 1.81783 1.81864 1.82458 1.84173 1.86020 1.87301 1.89646 1.90129 1.90440 1.90893 1.91448 1.92476 1.93723 1.94306 1.94808 1.98104 1.98948 1.99113 1.99554 2.00674 2.01381 2.02971 2.03970 2.04337 2.05098 2.05937 2.06726 2.07998 2.08945 2.10925 2.11804 2.13157 2.13779 2.16333 2.18149 2.19083 2.20013 2.22109 2.24165 2.27175 2.27922 2.28977 2.30667 2.31418 2.36400 2.38701 2.39645 2.40523 2.42844 2.44619 2.45234 2.47589 2.48774 2.49652 2.50365 2.51274 2.52558 2.52803 2.54863 2.55343 2.56272 2.57385 2.58125 2.59589 2.60924 2.61474 2.61977 2.64493 2.65332 2.66358 2.66816 2.67592 2.68526 2.69528 2.70059 2.70778 2.72650 2.75804 2.76302 2.78926 2.79916 2.80683 2.82204 2.82808 2.84414 2.84655 2.85243 2.86659 2.88911 2.89856 2.90516 2.92033 2.93294 2.93452 2.94492 2.95286 2.96314 2.97176 2.97801 2.99329 3.00489 3.02624 3.03316 3.04676 3.06240 3.07240 3.10503 3.12869 3.14246 3.16236 3.17435 3.19400 3.21844 3.22558 3.24112 3.26939 3.28114 3.28396 3.31312 3.31997 3.35134 3.36931 3.37397 3.37659 3.39811 3.40500 3.42076 3.45343 3.47755 3.50716 3.51114 3.57283 3.60652 3.63782 3.64206 3.68836 3.71344 3.76102 3.78846 3.82268 3.88565 3.89396 3.90794 3.93482 3.98228 4.00700 4.11895 4.14356 4.16458 4.19887 4.21035 4.21376 4.24233 4.27707 4.30044 4.65026 4.67210 4.85347 4.91061 5.08922 5.09777 5.16149 5.20675 5.21802 5.33995 5.36545 5.49006 5.73253 5.86226 6.00674 6.33398 20.58296 20.64238 20.79814 23.71382 23.87584 23.93572 24.05974 24.06115 24.08105 24.08786 24.12370 24.16193 24.18162 24.20586 24.22029 24.29067 35.52825 39.88586 49.99984 50.02559 50.08807 50.12058 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 O C O C C C C C C H H H H Rh C H C H C H C H C H C H H H O O N H -0.108121 0.264042 -0.130137 0.323229 0.576083 -0.338865 -0.561970 -0.428228 -0.712946 0.387283 0.265849 0.293304 0.293925 0.395895 0.122010 0.344218 -0.420948 0.303605 -0.314802 0.305674 -0.662102 0.262579 0.136578 0.318493 -0.797620 0.243862 0.244782 0.217449 -0.013194 0.095245 -0.215751 0.310581 1.00000 -3.6861 2.1697 5.7860 7.1953 -87.3734 -95.6657 -114.1020 2.6844 6.1881 -5.6723 11.6736 3.3813 -15.0550 2.6844 6.1881 -5.6723 -22.0256 57.5671 39.6824 -28.8645 -7.0273 11.6694 -22.6652 6.5520 -31.4224 -13.9364 -2476.9657 -1462.1397 -1200.6555 -79.7327 119.3172 65.7731 -68.5195 64.7896 -13.6161 -767.3993 -628.5961 -516.4863 17.3045 -14.5705 22.5920 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-KIMIK6002 CGARCIA 2019-06-27T00:00:00.000+02:00 0 Title Card Required 1 1 Version=EM64L-G09RevD.01 State=1-A HF=-968.1193499 RMSD=8.091e-09 Dipole=-1.4502298,0.8536101,2.2763769 Quadrupole=8.6790648,2.5139478,-11.1930126,1.9957504,4.6006847,-4.2171803 PG=C01 [X(C13H13N1O4Rh1)] 0 -0.23634 2.801001 1.06977 0 -0.082 2.710974 -0.232072 0 -0.324994 1.682293 -0.869188 0 1.956996 -0.70969 -0.307592 0 0.965321 -0.416004 0.63043 0 3.315687 -0.823558 -0.013736 0 1.387328 -0.23241 1.947316 0 3.701259 -0.635013 1.302615 0 2.738441 -0.342203 2.274178 0 -0.553279 1.950578 1.425406 0 0.666906 -0.006059 2.726997 0 4.746733 -0.719294 1.576629 0 3.047698 -0.199429 3.305091 0 -0.888371 -0.285436 -0.129146 0 -2.029854 -2.06504 0.153354 0 -1.666936 -3.033082 -0.165632 0 -2.938928 -1.212214 -0.59704 0 -3.300521 -1.405877 -1.597425 0 -3.15822 -0.064712 0.154446 0 -3.720985 0.806173 -0.154609 0 -1.798344 -1.465663 1.423638 0 -1.195063 -1.875088 2.221853 0 -2.40192 -0.175698 1.393919 0 -2.420471 0.537607 2.207383 0 0.40591 3.958888 -0.880146 0 -0.328618 4.754008 -0.724162 0 1.340151 4.269765 -0.405185 0 0.558981 3.792632 -1.944649 0 0.266023 -0.827271 -1.862605 0 2.276111 -1.132869 -2.559572 0 1.507653 -0.903579 -1.655617 0 4.032048 -1.053453 -0.79392