Gaussian 09 RwB97XD GenECP SP # sp wb97xd/genecp scrf=(smd,solvent=dichloroethane) g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30068.inp" -scrdir="/scratch/" PT48093.200S 2020-03-11T21:49:48.000+01:00 -66.23934 -19.35000 -19.34596 -14.72954 -10.39520 -10.36595 -10.35990 -10.35628 -10.35418 -10.35188 -10.34957 -10.34908 -10.34454 -10.33302 -10.32780 -10.32626 -10.30846 -10.29934 -10.27720 -10.27366 -10.27327 -10.27213 -10.27128 -10.27068 -10.26897 -10.26859 -10.26843 -5.37363 -3.71887 -3.71700 -3.71685 -3.27399 -2.09456 -2.06162 -2.05605 -1.40058 -1.22326 -1.04275 -1.03594 -0.94757 -0.94571 -0.89597 -0.88629 -0.87662 -0.87268 -0.86858 -0.85685 -0.83638 -0.80853 -0.78408 -0.78107 -0.77760 -0.77401 -0.75095 -0.73570 -0.70732 -0.69139 -0.68428 -0.68163 -0.67999 -0.67015 -0.66683 -0.66554 -0.66494 -0.63941 -0.59703 -0.59488 -0.57914 -0.55994 -0.55489 -0.54753 -0.54187 -0.53736 -0.53397 -0.53021 -0.52610 -0.52000 -0.51565 -0.51445 -0.51032 -0.50869 -0.50847 -0.50441 -0.49372 -0.48772 -0.48299 -0.48068 -0.47769 -0.47367 -0.47227 -0.47131 -0.46367 -0.46144 -0.45427 -0.44391 -0.44135 -0.43085 -0.42863 -0.42605 -0.42194 -0.41726 -0.41600 -0.41459 -0.41124 -0.40719 -0.39034 -0.38600 -0.37554 -0.36399 -0.35575 -0.34837 -0.34328 -0.34120 -0.32009 -0.31815 -0.07177 -0.05282 -0.03158 0.01474 0.01837 0.03363 0.04119 0.04221 0.04369 0.04686 0.05095 0.05350 0.05364 0.05877 0.06247 0.06588 0.06937 0.07097 0.07304 0.07639 0.07906 0.08144 0.08360 0.08564 0.08760 0.09080 0.09378 0.09529 0.10080 0.10284 0.10554 0.10688 0.11130 0.11466 0.11864 0.12050 0.12147 0.12396 0.12719 0.12866 0.13514 0.13668 0.13911 0.14090 0.14275 0.14533 0.14951 0.15046 0.15248 0.15458 0.15831 0.15901 0.16083 0.16163 0.16474 0.16745 0.16900 0.17022 0.17289 0.17455 0.17741 0.17811 0.18039 0.18105 0.18281 0.18422 0.18685 0.18841 0.19007 0.19141 0.19258 0.19531 0.19688 0.19733 0.19794 0.20087 0.20273 0.20483 0.20634 0.20817 0.20950 0.21121 0.21349 0.21435 0.21725 0.21942 0.22163 0.22292 0.22419 0.22509 0.22611 0.22871 0.23088 0.23248 0.23437 0.23583 0.23873 0.24067 0.24147 0.24575 0.24802 0.24946 0.25082 0.25326 0.25658 0.25899 0.25996 0.26109 0.26509 0.26626 0.26802 0.26940 0.27168 0.27408 0.27530 0.27684 0.28001 0.28049 0.28378 0.28440 0.28581 0.28782 0.29032 0.29520 0.29786 0.30008 0.30055 0.30297 0.30475 0.30694 0.30939 0.31222 0.31401 0.31661 0.31826 0.31852 0.32308 0.32554 0.32738 0.32973 0.33062 0.33238 0.33533 0.33821 0.34240 0.34275 0.34498 0.34744 0.34918 0.35149 0.35353 0.35707 0.35810 0.35871 0.36230 0.36403 0.36801 0.36973 0.37156 0.37394 0.37961 0.38053 0.38488 0.38597 0.38851 0.39160 0.39331 0.39520 0.39625 0.40116 0.40461 0.40622 0.40847 0.41283 0.41582 0.41730 0.42204 0.42335 0.42826 0.42954 0.43105 0.43285 0.43696 0.44276 0.44452 0.44663 0.45120 0.45222 0.45747 0.46198 0.46233 0.46771 0.46921 0.47545 0.47908 0.48367 0.48889 0.49024 0.49446 0.49682 0.49731 0.50493 0.51037 0.51366 0.52221 0.52859 0.53252 0.54190 0.54729 0.54793 0.55101 0.55804 0.56272 0.56386 0.56928 0.57707 0.58293 0.58950 0.59217 0.59914 0.60256 0.60457 0.61538 0.61737 0.62267 0.62887 0.63226 0.63718 0.64125 0.64871 0.65124 0.65354 0.65534 0.65779 0.66544 0.66806 0.67023 0.67131 0.68115 0.68257 0.68727 0.69356 0.69745 0.69997 0.70262 0.70613 0.70696 0.71231 0.71573 0.71776 0.72267 0.72733 0.73134 0.73357 0.73620 0.74007 0.74383 0.74593 0.75111 0.75445 0.76012 0.76304 0.76556 0.77228 0.77593 0.77805 0.78180 0.78610 0.79121 0.79481 0.79869 0.79987 0.80254 0.80680 0.80915 0.81103 0.81543 0.82220 0.82441 0.82634 0.82933 0.83445 0.83739 0.84016 0.84318 0.84653 0.85084 0.85287 0.85833 0.85965 0.86385 0.87037 0.87176 0.87408 0.87495 0.88032 0.88729 0.89157 0.89396 0.89772 0.90001 0.90165 0.90533 0.91109 0.91448 0.91792 0.92040 0.92222 0.92285 0.93361 0.93677 0.94106 0.94191 0.94773 0.95097 0.95509 0.96021 0.96275 0.96876 0.97535 0.97782 0.98188 0.99015 0.99778 1.00082 1.00320 1.01188 1.01679 1.02120 1.02774 1.04136 1.04406 1.05060 1.06151 1.06632 1.06946 1.08041 1.08923 1.09130 1.09747 1.10429 1.10994 1.11616 1.12309 1.12726 1.13094 1.14059 1.14446 1.15033 1.15325 1.16011 1.16793 1.17122 1.17891 1.18197 1.18929 1.20370 1.21099 1.21369 1.21895 1.22219 1.23255 1.24012 1.25798 1.26456 1.26634 1.27717 1.27995 1.28914 1.29349 1.30300 1.30984 1.31532 1.32082 1.32844 1.34411 1.35503 1.37738 1.39036 1.40469 1.40729 1.41857 1.42057 1.42706 1.43390 1.44343 1.45925 1.46116 1.47224 1.48693 1.49336 1.50462 1.51348 1.52561 1.53180 1.54403 1.55052 1.55517 1.56487 1.57072 1.57560 1.58056 1.58400 1.58969 1.59315 1.59936 1.60153 1.60389 1.61078 1.61403 1.61875 1.62051 1.62540 1.62923 1.63415 1.64014 1.64896 1.65436 1.65740 1.66317 1.67072 1.67633 1.67909 1.68526 1.68993 1.69595 1.70065 1.70542 1.70760 1.71629 1.72019 1.72191 1.72969 1.73365 1.73853 1.74080 1.74346 1.75290 1.75580 1.76141 1.76326 1.76619 1.77326 1.77648 1.78616 1.79031 1.80123 1.80293 1.80598 1.80896 1.81412 1.81802 1.82016 1.82787 1.83458 1.83744 1.84144 1.84770 1.85163 1.85672 1.86047 1.86619 1.86800 1.88446 1.88639 1.89097 1.90205 1.90876 1.91559 1.91652 1.92222 1.93261 1.93481 1.94260 1.94508 1.95006 1.96132 1.96399 1.96612 1.96937 1.97505 1.97646 1.98335 1.99546 2.00111 2.00374 2.01602 2.02427 2.02814 2.03622 2.05030 2.06365 2.06671 2.07272 2.08058 2.08701 2.09478 2.10244 2.11125 2.11404 2.11835 2.12070 2.12660 2.13644 2.14108 2.15222 2.15553 2.16298 2.17640 2.18919 2.19192 2.20346 2.20402 2.20867 2.21932 2.22623 2.23082 2.24093 2.24868 2.25366 2.27164 2.27834 2.28360 2.29126 2.29619 2.30013 2.31760 2.32185 2.33789 2.34861 2.37294 2.38462 2.40660 2.41278 2.41848 2.42424 2.42771 2.42954 2.43726 2.44467 2.44715 2.45554 2.46607 2.47428 2.48113 2.48272 2.49137 2.49688 2.50195 2.51014 2.51515 2.51901 2.52525 2.53766 2.53877 2.54520 2.54892 2.55559 2.55875 2.57326 2.58171 2.59162 2.60518 2.61152 2.61309 2.62332 2.62605 2.62708 2.63526 2.64069 2.64439 2.65366 2.65742 2.66176 2.66905 2.67460 2.67713 2.68315 2.68550 2.69204 2.69297 2.69770 2.70111 2.70945 2.71437 2.73278 2.74071 2.75269 2.75564 2.76312 2.77000 2.78338 2.78815 2.79188 2.79467 2.80020 2.80711 2.81127 2.82513 2.83005 2.83117 2.84039 2.84439 2.85005 2.85173 2.85967 2.86471 2.86879 2.87963 2.88162 2.88901 2.89738 2.89916 2.90703 2.91310 2.92397 2.92760 2.93129 2.93678 2.94063 2.95541 2.96723 2.97211 2.97775 2.98464 2.99165 2.99744 3.01481 3.03325 3.04298 3.04622 3.06851 3.07545 3.09475 3.09870 3.10375 3.11264 3.11804 3.13047 3.13588 3.13867 3.14904 3.15788 3.17636 3.18712 3.18873 3.20086 3.21588 3.22990 3.23286 3.24848 3.26723 3.28456 3.30051 3.30757 3.31561 3.32047 3.33239 3.35417 3.37001 3.37764 3.38733 3.39195 3.39719 3.40762 3.41877 3.42872 3.44291 3.46943 3.50769 3.51734 3.54493 3.54848 3.57322 3.59348 3.61494 3.63780 3.64432 3.64983 3.68242 3.70710 3.77921 3.83840 3.84899 3.88458 3.88729 3.89267 3.89619 3.90039 3.90403 3.91167 3.92510 3.93438 3.93554 3.94169 3.95276 3.95581 3.96658 3.96813 4.04880 4.08072 4.14609 4.14953 4.16512 4.17486 4.17837 4.18878 4.19375 4.24106 4.26105 4.32218 4.36317 4.37690 4.38621 4.42838 4.65962 4.68127 4.83294 4.89924 5.16889 5.21665 5.28716 5.38778 5.83190 6.14063 6.36191 11.79231 11.81957 11.86756 13.60594 20.59174 20.68055 20.89104 23.69137 23.79172 23.89944 23.97187 23.98808 24.00522 24.03853 24.06975 24.08528 24.11423 24.12077 24.12123 24.13233 24.14077 24.14572 24.14870 24.15957 24.17945 24.18123 24.18875 24.21830 24.27865 24.38842 35.55135 39.97719 50.03076 50.10174 141.69457 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 C C C C C C H H H Rh C H C H C H C H C H O O C H H H N Si C C C H H H C C C C C C H H H H H H H H H H H H H H H H H H C C I 0.275401 1.083544 0.142318 -0.686188 -0.429407 -0.708891 0.302346 0.299080 0.309942 0.617556 -0.730477 0.308163 0.219401 0.350818 -0.552027 0.240445 -0.013990 0.345849 -0.195310 0.351675 0.277874 0.238774 -0.667505 0.216216 0.216601 0.265201 -0.532017 0.497151 -0.138848 -0.524549 -0.482272 0.225272 0.257430 0.213192 -0.588656 -0.565000 -0.475622 -0.618874 -0.444371 -0.652279 0.225073 0.163830 0.184982 0.209149 0.168553 0.197178 0.192758 0.171825 0.187473 0.196604 0.217505 0.125517 0.214007 0.186043 0.182027 0.137739 0.199939 0.177182 -0.919291 0.312266 0.021673 1.00000 -10.6712 -9.2318 -4.5149 14.8150 -152.6244 -184.8420 -199.1085 6.9209 7.3777 -0.0862 26.2339 -5.9837 -20.2502 6.9209 7.3777 -0.0862 -282.0407 67.5259 -72.1011 -30.1086 30.3541 -23.0982 -55.8502 23.7694 -5.9778 10.5097 -8024.4324 -4210.3267 -2780.7455 148.4315 -4.6972 255.4101 -102.5237 69.1831 -81.6771 -2212.4311 -1853.5407 -1185.1708 -28.3951 -32.8657 54.5859 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-KIMIK6003 CGARCIA 2020-03-11T00:00:00.000+01:00 0 Title Card Required 1 1 Version=EM64L-G09RevD.01 State=1-A HF=-1511.0400642 RMSD=4.807e-09 Dipole=-4.1983577,-3.6320615,-1.7763171 Quadrupole=19.5042494,-4.4487233,-15.0555261,5.1455377,5.4851687,-0.0640972 PG=C01 [X(C23H32I1N1O2Rh1Si1)] 0 -2.57379 0.688789 0.537919 0 -1.71035 0.855558 -0.566849 0 -3.96635 0.621791 0.453039 0 -2.30992 0.906769 -1.835377 0 -4.499201 0.697791 -0.835352 0 -3.688833 0.823047 -1.961962 0 -1.674639 1.045054 -2.7036 0 -5.5761 0.636258 -0.954006 0 -4.142219 0.86548 -2.945995 0 -0.979172 -1.41775 -0.141509 0 -1.847648 -3.471477 0.28465 0 -2.313212 -3.726224 1.227415 0 -0.409953 -3.468939 0.032641 0 0.348588 -3.819121 0.719672 0 -0.203683 -3.065494 -1.316063 0 0.733479 -3.029344 -1.846529 0 -2.488778 -2.982145 -0.84512 0 -3.546694 -2.78595 -0.952643 0 -1.465576 -2.645535 -1.822527 0 -1.645732 -2.230067 -2.805157 0 -1.174866 -0.475211 1.93921 0 -2.187473 1.244132 2.762473 0 -4.84587 0.439099 1.658223 0 -4.503658 -0.387626 2.288812 0 -5.867839 0.223449 1.34301 0 -4.860759 1.344068 2.271753 0 -1.944587 0.499757 1.84707 0 2.350223 -0.404802 0.174929 0 3.433906 1.157552 0.207122 0 2.148271 -1.164147 1.910474 0 2.965236 -1.685303 -1.089293 0 2.846139 1.901452 0.761177 0 1.236915 -1.774493 1.826657 0 2.466777 -2.62149 -0.79978 0 3.712304 1.721863 -1.194603 0 4.756142 0.96778 0.969399 0 2.56929 -1.341903 -2.535249 0 4.477905 -1.950051 -1.019702 0 1.875859 -0.081028 2.965951 0 3.278155 -2.102665 2.352893 0 2.79359 -2.177562 -3.210287 0 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