Gaussian 09 GINC-KIMIK6007 CGARCIA Title Card Required EM64L-G09RevD.01 RwB97XD GenECP FOpt # opt freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane) temperature=383.15 g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-180862.inp" -scrdir="/scratch/" -19.34804 -19.34686 -19.27828 -19.27708 -14.73110 -10.43029 -10.37719 -10.37689 -10.37647 -10.37625 -10.36877 -10.36873 -10.33748 -10.33449 -10.32877 -10.32540 -10.32452 -10.31378 -10.31039 -10.30954 -10.30935 -10.30844 -10.29694 -3.28323 -2.10435 -2.06751 -2.06505 -1.37678 -1.19655 -1.19382 -1.08538 -1.05607 -1.00781 -0.92814 -0.92671 -0.92305 -0.87976 -0.84746 -0.84582 -0.84518 -0.84259 -0.81693 -0.75964 -0.75686 -0.73492 -0.71729 -0.68044 -0.66514 -0.65111 -0.65065 -0.64772 -0.63600 -0.60850 -0.59308 -0.57934 -0.57493 -0.56766 -0.56659 -0.55961 -0.55120 -0.54392 -0.54112 -0.53850 -0.53813 -0.53418 -0.50996 -0.50548 -0.50389 -0.50232 -0.49838 -0.49733 -0.48637 -0.48433 -0.47726 -0.47653 -0.47344 -0.45735 -0.45710 -0.45604 -0.45383 -0.44754 -0.44233 -0.42587 -0.42125 -0.41793 -0.40039 -0.38266 -0.38012 -0.37385 -0.36879 -0.36048 -0.35833 -0.33531 -0.05987 -0.02917 -0.02522 0.03791 0.05820 0.08109 0.09025 0.09118 0.09699 0.09882 0.09983 0.11838 0.16513 0.18625 0.19743 0.19973 0.20609 0.21444 0.21872 0.22047 0.22092 0.22379 0.23090 0.23436 0.23519 0.24043 0.24176 0.24612 0.24727 0.25274 0.26142 0.26594 0.26947 0.27324 0.28261 0.28505 0.29209 0.29665 0.30064 0.30294 0.31567 0.32336 0.32603 0.33136 0.33597 0.33704 0.35048 0.35231 0.36677 0.38252 0.38761 0.39822 0.40833 0.45463 0.46129 0.46290 0.46644 0.47185 0.49040 0.50925 0.52438 0.53260 0.53830 0.54659 0.55238 0.56483 0.57107 0.57587 0.59465 0.60347 0.61523 0.62964 0.64017 0.64603 0.65687 0.66328 0.66811 0.67252 0.67944 0.67975 0.68528 0.69482 0.69726 0.70819 0.71366 0.71871 0.73058 0.73653 0.73849 0.74785 0.75122 0.75768 0.75957 0.76626 0.77875 0.78387 0.79450 0.80064 0.80860 0.81922 0.82760 0.83724 0.84590 0.85207 0.85429 0.86690 0.88152 0.88913 0.89716 0.90414 0.90647 0.91166 0.92077 0.92361 0.93094 0.94039 0.94317 0.94749 0.94826 0.95243 0.96747 0.97170 0.97669 0.97777 0.98216 0.98877 0.99870 1.00609 1.00807 1.01174 1.01791 1.02660 1.03987 1.04649 1.05752 1.05958 1.07787 1.08141 1.09509 1.10495 1.10779 1.11233 1.11650 1.12491 1.13875 1.14506 1.16396 1.16995 1.18121 1.19933 1.20573 1.21068 1.22832 1.23560 1.25728 1.25974 1.27572 1.28550 1.29254 1.30228 1.30881 1.31230 1.31996 1.33001 1.34397 1.36150 1.37703 1.39166 1.40839 1.41516 1.42656 1.43989 1.44801 1.45443 1.46811 1.47637 1.48297 1.48572 1.49290 1.51093 1.52301 1.54185 1.54716 1.55631 1.57970 1.59171 1.60957 1.62451 1.62842 1.65155 1.66565 1.68204 1.74841 1.75341 1.76000 1.77042 1.77611 1.79178 1.79562 1.79892 1.80202 1.81430 1.82933 1.83299 1.85076 1.85977 1.87245 1.88469 1.88693 1.89503 1.90443 1.91594 1.92552 1.92675 1.93138 1.94102 1.94764 1.95531 1.97777 1.99568 2.00530 2.01821 2.02922 2.03269 2.04257 2.04980 2.05856 2.06581 2.07451 2.07925 2.08713 2.09293 2.10372 2.10697 2.10936 2.11543 2.11978 2.12201 2.12809 2.13051 2.13466 2.13509 2.13801 2.14929 2.15538 2.16127 2.16451 2.17296 2.17841 2.18010 2.18641 2.19097 2.19432 2.19898 2.20665 2.21300 2.22438 2.23055 2.23487 2.23936 2.26154 2.27534 2.29268 2.29778 2.35284 2.35499 2.35994 2.38164 2.38904 2.40930 2.41539 2.42496 2.42904 2.43998 2.44698 2.45547 2.45867 2.46942 2.47181 2.47695 2.49005 2.49048 2.49390 2.50102 2.50756 2.51174 2.51742 2.53080 2.53674 2.54060 2.55010 2.55791 2.55986 2.56704 2.57326 2.59200 2.59835 2.63118 2.64084 2.64715 2.65812 2.66295 2.67224 2.67549 2.68477 2.68838 2.71228 2.71323 2.71707 2.74660 2.75832 2.76116 2.76912 2.78538 2.79150 2.79199 2.79369 2.81683 2.82279 2.83597 2.87921 2.88488 2.89219 2.90074 2.91000 2.93128 2.93409 2.93918 2.94208 2.96338 2.98164 2.99499 3.00220 3.02659 3.03744 3.04708 3.07805 3.11300 3.11848 3.12064 3.13183 3.13883 3.15802 3.16652 3.18962 3.20877 3.27386 3.30747 3.30899 3.31445 3.32628 3.33628 3.34736 3.36609 3.38252 3.39401 3.46807 3.50763 3.50902 3.51587 3.51969 3.52283 3.52446 3.52650 3.54382 3.54469 3.55324 3.55976 3.56682 3.59824 3.62563 4.01186 8.24135 1-A. 0.1348 -6.0792 5.4429 8.1609 -105.6636 -124.1241 -140.7596 2.0705 4.6166 3.6452 17.8522 -0.6084 -17.2438 2.0705 4.6166 3.6452 -3.6056 39.8659 38.9896 -31.6630 -39.0128 46.0034 -21.2054 -13.3183 -19.8194 -0.6788 -4124.5749 -2154.8770 -1788.8437 -93.2441 121.9742 -91.6953 4.8752 41.6192 8.2291 -1133.5830 -1001.4040 -678.2854 40.3253 3.1088 37.9525 PT7900.500S 2019-06-26T15:01:05.000+02:00 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 O C O C C C C C C H H H H Rh C C C C C C H H H O O N C C C C C H H H H H H H H H H H H H H H H -0.536211 0.681155 -0.524628 0.184563 -0.089702 -0.116724 -0.160764 -0.153273 -0.108330 0.198373 0.183761 0.183428 0.182079 0.326883 0.076052 0.026814 0.042119 0.007316 0.058516 -0.477809 0.191521 0.174278 0.178754 -0.406957 -0.341243 0.433240 -0.426866 -0.416898 -0.404079 -0.417105 -0.420750 0.149949 0.168312 0.186885 0.159783 0.199923 0.179324 0.173039 0.186343 0.178672 0.190547 0.176359 0.181246 0.176221 0.177292 0.190582 0.198010 1.00000 -19.34803 -19.34685 -19.27828 -19.27708 -14.73110 -10.43029 -10.37719 -10.37689 -10.37647 -10.37625 -10.36877 -10.36873 -10.33748 -10.33449 -10.32877 -10.32540 -10.32452 -10.31378 -10.31039 -10.30954 -10.30935 -10.30844 -10.29694 -3.28323 -2.10435 -2.06751 -2.06505 -1.37677 -1.19655 -1.19382 -1.08538 -1.05607 -1.00781 -0.92813 -0.92671 -0.92305 -0.87976 -0.84746 -0.84582 -0.84519 -0.84259 -0.81693 -0.75964 -0.75686 -0.73492 -0.71729 -0.68044 -0.66514 -0.65111 -0.65065 -0.64772 -0.63600 -0.60849 -0.59308 -0.57934 -0.57493 -0.56766 -0.56659 -0.55961 -0.55120 -0.54391 -0.54112 -0.53850 -0.53813 -0.53418 -0.50995 -0.50548 -0.50389 -0.50232 -0.49838 -0.49733 -0.48637 -0.48433 -0.47726 -0.47653 -0.47344 -0.45735 -0.45710 -0.45605 -0.45383 -0.44753 -0.44232 -0.42587 -0.42125 -0.41793 -0.40039 -0.38266 -0.38012 -0.37385 -0.36879 -0.36048 -0.35833 -0.33531 -0.05987 -0.02918 -0.02523 0.03792 0.05821 0.08109 0.09025 0.09118 0.09699 0.09881 0.09983 0.11837 0.16513 0.18625 0.19743 0.19973 0.20609 0.21445 0.21872 0.22046 0.22092 0.22379 0.23090 0.23435 0.23519 0.24043 0.24175 0.24612 0.24727 0.25274 0.26142 0.26594 0.26947 0.27324 0.28261 0.28505 0.29209 0.29665 0.30064 0.30294 0.31567 0.32336 0.32604 0.33136 0.33597 0.33704 0.35049 0.35231 0.36677 0.38252 0.38761 0.39822 0.40833 0.45463 0.46129 0.46290 0.46644 0.47185 0.49040 0.50925 0.52438 0.53261 0.53831 0.54659 0.55238 0.56482 0.57107 0.57587 0.59464 0.60345 0.61524 0.62964 0.64016 0.64603 0.65687 0.66328 0.66812 0.67251 0.67944 0.67975 0.68527 0.69478 0.69726 0.70818 0.71365 0.71871 0.73057 0.73654 0.73850 0.74785 0.75121 0.75766 0.75957 0.76625 0.77874 0.78384 0.79448 0.80061 0.80858 0.81921 0.82761 0.83722 0.84590 0.85207 0.85426 0.86687 0.88151 0.88913 0.89715 0.90413 0.90647 0.91166 0.92076 0.92360 0.93092 0.94038 0.94316 0.94748 0.94826 0.95242 0.96747 0.97170 0.97668 0.97777 0.98215 0.98877 0.99870 1.00609 1.00806 1.01173 1.01790 1.02659 1.03985 1.04649 1.05751 1.05958 1.07786 1.08140 1.09506 1.10494 1.10777 1.11233 1.11648 1.12490 1.13874 1.14503 1.16395 1.16988 1.18121 1.19933 1.20572 1.21066 1.22827 1.23560 1.25728 1.25973 1.27571 1.28548 1.29253 1.30227 1.30878 1.31228 1.31996 1.33000 1.34397 1.36149 1.37701 1.39166 1.40835 1.41516 1.42657 1.43989 1.44802 1.45442 1.46810 1.47636 1.48294 1.48569 1.49291 1.51093 1.52301 1.54185 1.54714 1.55629 1.57968 1.59168 1.60957 1.62449 1.62841 1.65153 1.66562 1.68202 1.74841 1.75341 1.75999 1.77041 1.77610 1.79177 1.79562 1.79891 1.80201 1.81429 1.82933 1.83297 1.85076 1.85976 1.87243 1.88469 1.88693 1.89503 1.90443 1.91595 1.92552 1.92675 1.93138 1.94101 1.94764 1.95530 1.97776 1.99568 2.00530 2.01820 2.02921 2.03270 2.04256 2.04980 2.05857 2.06581 2.07451 2.07924 2.08714 2.09292 2.10372 2.10696 2.10936 2.11542 2.11977 2.12201 2.12809 2.13050 2.13466 2.13509 2.13800 2.14929 2.15538 2.16126 2.16451 2.17295 2.17840 2.18009 2.18640 2.19096 2.19432 2.19896 2.20665 2.21300 2.22436 2.23054 2.23487 2.23935 2.26152 2.27533 2.29268 2.29778 2.35283 2.35498 2.35993 2.38164 2.38903 2.40929 2.41539 2.42495 2.42904 2.43997 2.44697 2.45546 2.45867 2.46942 2.47180 2.47694 2.49005 2.49047 2.49390 2.50102 2.50756 2.51174 2.51742 2.53079 2.53673 2.54059 2.55009 2.55790 2.55986 2.56703 2.57326 2.59199 2.59834 2.63117 2.64083 2.64715 2.65812 2.66294 2.67224 2.67548 2.68478 2.68837 2.71228 2.71323 2.71708 2.74660 2.75832 2.76116 2.76912 2.78537 2.79149 2.79198 2.79368 2.81683 2.82278 2.83597 2.87921 2.88488 2.89218 2.90075 2.91000 2.93128 2.93409 2.93917 2.94208 2.96338 2.98163 2.99499 3.00220 3.02658 3.03744 3.04708 3.07805 3.11300 3.11848 3.12065 3.13182 3.13882 3.15802 3.16652 3.18962 3.20877 3.27386 3.30747 3.30898 3.31444 3.32628 3.33627 3.34736 3.36610 3.38252 3.39400 3.46808 3.50763 3.50901 3.51587 3.51969 3.52282 3.52447 3.52650 3.54382 3.54468 3.55324 3.55975 3.56680 3.59823 3.62563 4.01187 8.24074 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 O C O C C C C C C H H H H Rh C C C C C C H H H O O N C C C C C H H H H H H H H H H H H H H H H -0.536207 0.681154 -0.524632 0.184576 -0.089725 -0.116716 -0.160765 -0.153274 -0.108338 0.198368 0.183760 0.183427 0.182079 0.326891 0.076039 0.026813 0.042136 0.007342 0.058485 -0.477808 0.191524 0.174276 0.178754 -0.406964 -0.341245 0.433241 -0.426865 -0.416903 -0.404091 -0.417102 -0.420750 0.149962 0.168318 0.186888 0.159795 0.199918 0.179327 0.173041 0.186344 0.178672 0.190549 0.176359 0.181245 0.176222 0.177289 0.190583 0.198007 1.00000 0.1335 -6.0788 5.4427 8.1605 -105.6549 -124.1223 -140.7606 2.0716 4.6164 3.6459 17.8577 -0.6097 -17.2480 2.0716 4.6164 3.6459 -3.5891 39.8691 38.9821 -31.6542 -39.0072 46.0061 -21.2129 -13.3167 -19.8119 -0.6815 -4124.9677 -2154.9078 -1788.7544 -93.2558 122.0428 -91.6803 4.8490 41.6140 8.1835 -1133.7182 -1001.4842 -678.2864 40.3398 3.1094 37.9643 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1164.4732848 3.457E-9 2.025E-5 13.2729872,-0.4526345,-12.8203528,1.5378906,3.4326616,2.7097652 C01 [X(C18H23N1O4Rh1)] 0.0527827 -2.3917375 2.141414 397.1023999999998 AuxInfo=1/0/N:27,28,29,31,30,15,16,18,17,19;9,7,8,5,6,4,26,24,25;20,2,1,3;14/E:(1,2,3,4,5)(6,7,8,9,10);(2,3)(4,5)(8,9);(3,4);/CRV:6.3,7.3,8.3,9.3,10.3;1.3,2.3,3.3,4.3,5.3,6.3,8.1,9.1;2.3,3-1,4-1;/rA:47OC3OC3C3C3C3C3C3HHHHRhCCCCCCHHHO1O1NCCCCCHHHHHHHHHHHHHHHH/rB:s1;s2;;s4;s4;s5;s6;s7s8;s5;s7;s8;s9;s1s3;s14;s14s15;s14s16;s14s15;s14s17s18;s2;s20;s20;s20;;;s4s24s25;s15;s16;s18;s19;s17;s29;s29;s29;s27;s27;s27;s28;s28;s28;s31;s31;s31;s30;s30;s30;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK6007 CGARCIA Title Card Required EM64L-G09RevD.01 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 2 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 1/10=4,29=7,30=1,38=1,40=1,112=383150/1,3 2/12=2,40=1/2 3/5=7,6=2,11=2,14=-4,16=1,17=8,25=1,30=1,70=2,71=2,72=10,74=-58,82=7,116=1,140=1/1,2,3 4/5=101/1 5/5=2,53=10,98=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 Title Card Required Redundant internal coordinates found in file. Structure from the checkpoint file: "CGET_0016_TSless.chk" PT22161.600S 2019-06-26T15:19:39.000+02:00 324.199 -31.348 312.316 23.157 20.168 305.371 266.370 -24.260 279.330 15.296 11.982 278.024 -19.34804 -19.34686 -19.27828 -19.27708 -14.73110 -10.43029 -10.37719 -10.37689 -10.37647 -10.37625 -10.36877 -10.36873 -10.33748 -10.33449 -10.32877 -10.32540 -10.32452 -10.31378 -10.31039 -10.30954 -10.30935 -10.30844 -10.29694 -3.28323 -2.10435 -2.06751 -2.06505 -1.37678 -1.19655 -1.19382 -1.08538 -1.05607 -1.00781 -0.92814 -0.92671 -0.92305 -0.87976 -0.84746 -0.84582 -0.84518 -0.84259 -0.81693 -0.75964 -0.75686 -0.73492 -0.71729 -0.68044 -0.66514 -0.65111 -0.65065 -0.64772 -0.63600 -0.60850 -0.59308 -0.57934 -0.57493 -0.56766 -0.56659 -0.55961 -0.55120 -0.54392 -0.54112 -0.53850 -0.53813 -0.53418 -0.50996 -0.50548 -0.50389 -0.50232 -0.49838 -0.49733 -0.48637 -0.48433 -0.47726 -0.47653 -0.47344 -0.45735 -0.45710 -0.45604 -0.45383 -0.44754 -0.44233 -0.42587 -0.42125 -0.41793 -0.40039 -0.38266 -0.38012 -0.37385 -0.36879 -0.36048 -0.35833 -0.33531 -0.05987 -0.02917 -0.02522 0.03791 0.05820 0.08109 0.09025 0.09118 0.09699 0.09882 0.09983 0.11838 0.16513 0.18625 0.19743 0.19973 0.20609 0.21444 0.21872 0.22047 0.22092 0.22379 0.23090 0.23436 0.23519 0.24043 0.24176 0.24612 0.24727 0.25274 0.26142 0.26594 0.26947 0.27324 0.28261 0.28505 0.29209 0.29665 0.30064 0.30294 0.31567 0.32336 0.32603 0.33136 0.33597 0.33704 0.35048 0.35231 0.36677 0.38252 0.38761 0.39822 0.40833 0.45463 0.46129 0.46290 0.46644 0.47185 0.49040 0.50925 0.52438 0.53260 0.53830 0.54659 0.55238 0.56483 0.57107 0.57587 0.59465 0.60347 0.61523 0.62964 0.64017 0.64603 0.65687 0.66328 0.66811 0.67252 0.67944 0.67975 0.68528 0.69482 0.69726 0.70819 0.71366 0.71871 0.73058 0.73653 0.73849 0.74785 0.75122 0.75768 0.75957 0.76626 0.77875 0.78387 0.79450 0.80064 0.80860 0.81922 0.82760 0.83724 0.84590 0.85207 0.85429 0.86690 0.88152 0.88913 0.89716 0.90414 0.90647 0.91166 0.92077 0.92361 0.93094 0.94039 0.94317 0.94749 0.94826 0.95243 0.96747 0.97170 0.97669 0.97777 0.98216 0.98877 0.99870 1.00609 1.00807 1.01174 1.01791 1.02660 1.03987 1.04649 1.05752 1.05958 1.07787 1.08141 1.09509 1.10495 1.10779 1.11233 1.11650 1.12491 1.13875 1.14506 1.16396 1.16995 1.18121 1.19933 1.20573 1.21068 1.22832 1.23560 1.25728 1.25974 1.27572 1.28550 1.29254 1.30228 1.30881 1.31230 1.31996 1.33001 1.34397 1.36150 1.37703 1.39166 1.40839 1.41516 1.42656 1.43989 1.44801 1.45443 1.46811 1.47637 1.48297 1.48572 1.49290 1.51093 1.52301 1.54185 1.54716 1.55631 1.57970 1.59171 1.60957 1.62451 1.62842 1.65155 1.66565 1.68204 1.74841 1.75341 1.76000 1.77042 1.77611 1.79178 1.79562 1.79892 1.80202 1.81430 1.82933 1.83299 1.85076 1.85977 1.87245 1.88469 1.88693 1.89503 1.90443 1.91594 1.92552 1.92675 1.93138 1.94102 1.94764 1.95531 1.97777 1.99568 2.00530 2.01821 2.02922 2.03269 2.04257 2.04980 2.05856 2.06581 2.07451 2.07925 2.08713 2.09293 2.10372 2.10697 2.10936 2.11543 2.11978 2.12201 2.12809 2.13051 2.13466 2.13509 2.13801 2.14929 2.15538 2.16127 2.16451 2.17296 2.17841 2.18010 2.18641 2.19097 2.19432 2.19898 2.20665 2.21300 2.22438 2.23055 2.23487 2.23936 2.26154 2.27534 2.29268 2.29778 2.35284 2.35499 2.35994 2.38164 2.38904 2.40930 2.41539 2.42496 2.42904 2.43998 2.44698 2.45547 2.45867 2.46942 2.47181 2.47695 2.49005 2.49048 2.49390 2.50102 2.50756 2.51174 2.51742 2.53080 2.53674 2.54060 2.55010 2.55791 2.55986 2.56704 2.57326 2.59200 2.59835 2.63118 2.64084 2.64715 2.65812 2.66295 2.67224 2.67549 2.68477 2.68838 2.71228 2.71323 2.71707 2.74660 2.75832 2.76116 2.76912 2.78538 2.79150 2.79199 2.79369 2.81683 2.82279 2.83597 2.87921 2.88488 2.89219 2.90074 2.91000 2.93128 2.93409 2.93918 2.94208 2.96338 2.98164 2.99499 3.00220 3.02659 3.03744 3.04708 3.07805 3.11300 3.11848 3.12064 3.13183 3.13883 3.15802 3.16652 3.18962 3.20877 3.27386 3.30747 3.30899 3.31445 3.32628 3.33628 3.34736 3.36609 3.38252 3.39401 3.46807 3.50763 3.50902 3.51587 3.51969 3.52283 3.52446 3.52650 3.54382 3.54469 3.55324 3.55976 3.56682 3.59824 3.62563 4.01186 8.24135 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 O C O C C C C C C H H H H Rh C C C C C C H H H O O N C C C C C H H H H H H H H H H H H H H H H -0.536211 0.681155 -0.524628 0.184563 -0.089702 -0.116724 -0.160764 -0.153273 -0.108330 0.198373 0.183761 0.183428 0.182079 0.326883 0.076052 0.026814 0.042120 0.007316 0.058516 -0.477809 0.191521 0.174278 0.178754 -0.406957 -0.341243 0.433241 -0.426866 -0.416898 -0.404079 -0.417105 -0.420750 0.149949 0.168312 0.186885 0.159783 0.199923 0.179324 0.173039 0.186343 0.178672 0.190547 0.176359 0.181246 0.176221 0.177292 0.190582 0.198010 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 14 15 16 17 18 19 20 24 25 26 27 28 29 30 31 O C O C C C C C C Rh C C C C C C O O N C C C C C -0.536211 0.681155 -0.524628 0.184563 0.108671 0.081286 0.022998 0.030155 0.073749 0.326883 0.076052 0.026814 0.042120 0.007316 0.058516 0.066744 -0.406957 -0.341243 0.433241 0.112163 0.121156 0.101066 0.126990 0.127403 1.00000 0.1348 -6.0792 5.4429 8.1609 -105.6636 -124.1241 -140.7596 2.0705 4.6166 3.6452 17.8522 -0.6084 -17.2438 2.0705 4.6166 3.6452 -3.6056 39.8659 38.9896 -31.6630 -39.0128 46.0034 -21.2054 -13.3183 -19.8194 -0.6788 -4124.5750 -2154.8770 -1788.8437 -93.2441 121.9743 -91.6953 4.8752 41.6192 8.2291 -1133.5830 -1001.4040 -678.2854 40.3253 3.1088 37.9525 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1164.4732848 7.35E-10 2.025E-5 0.3690201 0.4103603 C01 [X(C18H23N1O4Rh1)] 0.052783 -2.391737 2.1414146 -0.912755 0.1532099 -0.3759285 0.3066103 -1.9995519 0.226741 -0.390846 -0.045934 -0.7505903 0.8762918 -0.1521452 0.5898148 -0.1940859 2.5173731 -0.1000119 0.7165153 -0.0732853 1.0694925 -0.615773 0.2847177 -0.3391312 -0.0121466 -2.0326837 -0.0605296 -0.3499496 0.1450463 -0.7771538 -0.3321976 -0.1111916 -0.4602584 -0.0468978 0.1102054 0.0280417 -0.5026578 0.0248521 -0.5434385 -0.1347318 -0.0536078 -0.0337398 0.1445643 -0.1072904 0.0531445 0.3722359 -0.1024504 0.1859215 0.1115468 0.088382 0.3418152 -0.1116517 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