Gaussian 09 GINC-G9 ANNA Molecule Name AM64L-G09RevD.01 RB3LYP GenECP FOpt #opt=gdiis freq=noraman b3lyp/genecp int=ultrafine /opt/g09/g09 Output=P01_J317_Rh_formate_DCM_DAdiazo_intopt_ingasphase_2.log -101.54724 -101.53675 -19.20096 -19.17834 -19.17798 -19.17656 -19.17611 -19.17578 -19.17486 -19.17474 -19.17436 -19.14588 -14.51851 -14.46723 -10.33624 -10.32573 -10.32224 -10.32222 -10.32131 -10.29828 -10.27452 -10.24011 -10.21640 -10.19106 -10.18766 -10.18522 -10.18455 -10.18175 -9.47869 -9.46938 -7.24172 -7.23293 -7.23290 -7.23113 -7.22267 -7.22209 -3.15351 -3.14706 -1.95585 -1.95546 -1.95332 -1.95028 -1.94962 -1.93044 -1.16110 -1.11591 -1.09906 -1.09390 -1.09216 -1.09174 -1.02858 -1.01609 -1.01153 -1.00910 -1.00885 -0.90476 -0.90442 -0.84989 -0.83212 -0.75580 -0.74835 -0.73841 -0.66833 -0.64702 -0.63087 -0.62370 -0.61831 -0.61295 -0.61209 -0.60050 -0.55898 -0.54487 -0.53764 -0.52103 -0.51662 -0.51457 -0.51048 -0.50728 -0.50251 -0.50001 -0.49565 -0.49415 -0.49101 -0.48611 -0.48214 -0.47735 -0.47570 -0.46781 -0.46230 -0.45118 -0.44860 -0.44730 -0.44646 -0.43832 -0.42949 -0.42127 -0.41778 -0.41127 -0.37975 -0.37360 -0.37266 -0.37074 -0.36644 -0.35904 -0.35410 -0.34847 -0.34150 -0.33842 -0.33750 -0.33670 -0.33274 -0.33049 -0.32892 -0.32447 -0.32081 -0.31884 -0.31386 -0.31239 -0.30901 -0.30541 -0.28838 -0.28468 -0.28339 -0.28145 -0.27817 -0.25103 -0.23988 -0.23852 -0.23409 -0.22379 -0.10422 -0.08275 -0.07378 -0.05694 -0.05244 -0.01898 -0.00788 -0.00711 -0.00398 -0.00060 0.00065 0.00872 0.02267 0.03189 0.03576 0.04257 0.05100 0.06023 0.06448 0.07395 0.08705 0.10190 0.11672 0.12453 0.13052 0.13380 0.13689 0.14066 0.14638 0.15010 0.15229 0.15496 0.15633 0.16096 0.17148 0.17739 0.18128 0.18901 0.19399 0.21394 0.24021 0.24184 0.24643 0.25535 0.26947 0.27868 0.28840 0.30673 0.30980 0.31314 0.31862 0.32146 0.32766 0.33295 0.34293 0.34529 0.36440 0.36507 0.37087 0.38160 0.39801 0.39877 0.40170 0.41137 0.43706 0.43794 0.44724 0.45560 0.45971 0.46205 0.47977 0.49453 0.50234 0.51176 0.51309 0.52522 0.52638 0.53546 0.53982 0.54470 0.55374 0.56095 0.56439 0.56519 0.57098 0.57547 0.57849 0.58072 0.58367 0.59249 0.59420 0.59715 0.59944 0.60747 0.61158 0.61653 0.62752 0.63054 0.64139 0.64722 0.64975 0.66409 0.66562 0.67066 0.68180 0.68533 0.70282 0.71055 0.72064 0.72313 0.73126 0.74755 0.75325 0.76413 0.77165 0.78210 0.78873 0.79814 0.80414 0.81655 0.81895 0.82184 0.82550 0.82591 0.82950 0.83596 0.83787 0.84310 0.84834 0.85200 0.85895 0.86039 0.86509 0.87072 0.87189 0.87721 0.88147 0.88307 0.89617 0.89989 0.91070 0.91239 0.92710 0.93910 0.94478 0.95253 0.95898 0.96512 0.97663 0.97914 0.98379 0.99491 1.00223 1.00916 1.01970 1.02599 1.03224 1.03698 1.05681 1.06503 1.07027 1.07476 1.08711 1.08824 1.09558 1.10985 1.11287 1.12161 1.12312 1.13124 1.13842 1.14228 1.15317 1.15707 1.16775 1.17429 1.18630 1.19152 1.20249 1.20988 1.23839 1.25316 1.25724 1.26613 1.28188 1.30119 1.30960 1.32187 1.32572 1.33506 1.35044 1.37057 1.37602 1.38492 1.40084 1.40901 1.41677 1.42331 1.42890 1.43919 1.44423 1.45483 1.45752 1.46267 1.46763 1.47400 1.47808 1.48074 1.49079 1.49946 1.50572 1.50944 1.52215 1.53089 1.53136 1.55087 1.57674 1.59724 1.63742 1.65447 1.65719 1.67399 1.67800 1.68617 1.69455 1.69715 1.70315 1.70948 1.71212 1.72711 1.72778 1.74042 1.74447 1.75094 1.76698 1.76879 1.77664 1.78680 1.79144 1.80134 1.80558 1.81706 1.82868 1.85867 1.86065 1.87286 1.89109 1.89511 1.90188 1.90233 1.90524 1.92535 1.93004 1.94286 1.95821 1.97033 1.98520 1.99501 2.00841 2.01346 2.01997 2.02320 2.02778 2.05047 2.06281 2.07911 2.09538 2.09780 2.11790 2.12578 2.12883 2.14533 2.15098 2.15354 2.16472 2.16681 2.16909 2.17322 2.18150 2.19038 2.19948 2.20837 2.21727 2.22675 2.23884 2.25647 2.28406 2.29322 2.30347 2.30923 2.31366 2.33425 2.33865 2.34245 2.34434 2.35236 2.37810 2.40203 2.47572 2.50783 2.50946 2.52433 2.53494 2.54978 2.56990 2.59367 2.61736 2.63712 2.64187 2.65261 2.65651 2.65825 2.66241 2.67076 2.69118 2.74009 2.76100 2.76398 2.79814 2.83622 2.87156 2.87305 2.87487 2.87802 2.87959 2.88542 2.89122 2.89516 2.89848 2.92747 2.99491 3.02349 3.03860 3.04005 3.06746 3.08689 3.14931 3.21207 3.42244 3.48010 7.46282 8.47049 1-A. -2.9751 -1.1241 -0.5475 3.2272 -221.9843 -188.3370 -203.3439 -3.2337 -9.0072 2.0792 -17.4292 16.2181 1.2111 -3.2337 -9.0072 2.0792 -5.4810 -66.8543 51.0651 -20.9083 -13.7360 14.8384 39.3128 1.2207 -9.8580 -7.5917 -13430.2001 -3285.8030 -2407.8802 38.9059 -14.6399 91.3112 83.0917 8.7500 -16.2293 -2563.5487 -2587.4057 -888.7199 41.3120 62.2249 -37.6627 PT142440.100S Wed Oct 7 05:46:02 2020 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 Rh Rh O C O H O C O H O C O H O C O H C C C C C H C H C H H H N N Cl C H H Cl C O O C H H H 0.461355 0.440055 -0.458282 0.446352 -0.449163 0.155029 -0.461691 0.445848 -0.448324 0.155399 -0.454190 0.444398 -0.465167 0.150811 -0.441751 0.443667 -0.468333 0.154176 -0.134546 0.161336 -0.161531 -0.171324 -0.140301 0.190255 -0.134116 0.133245 -0.122541 0.132536 0.131171 0.129432 0.204811 -0.093148 0.062228 -0.468818 0.274012 0.275214 -0.012069 0.663299 -0.427171 -0.459363 -0.216710 0.189733 0.169253 0.174922 0.00000 -101.54752 -101.53626 -19.20009 -19.17683 -19.17604 -19.17513 -19.17483 -19.17444 -19.17437 -19.17429 -19.17260 -19.14466 -14.51881 -14.46624 -10.33521 -10.32277 -10.32216 -10.32172 -10.31989 -10.29901 -10.27300 -10.23927 -10.21577 -10.19037 -10.18703 -10.18449 -10.18389 -10.18094 -9.47897 -9.46884 -7.24203 -7.23304 -7.23238 -7.23155 -7.22212 -7.22156 -3.15241 -3.14544 -1.95474 -1.95433 -1.95200 -1.94867 -1.94808 -1.92898 -1.16991 -1.11531 -1.09765 -1.09231 -1.09164 -1.09037 -1.02759 -1.01462 -1.00991 -1.00879 -1.00732 -0.90554 -0.90447 -0.84939 -0.83192 -0.75513 -0.74767 -0.73776 -0.66891 -0.64606 -0.62967 -0.62237 -0.61787 -0.61221 -0.61070 -0.59975 -0.55819 -0.54599 -0.54039 -0.52155 -0.51640 -0.51261 -0.51035 -0.50691 -0.50169 -0.50040 -0.49464 -0.49343 -0.49074 -0.48543 -0.48113 -0.47851 -0.47450 -0.46712 -0.46233 -0.45048 -0.44754 -0.44667 -0.44594 -0.43774 -0.42830 -0.42096 -0.41728 -0.41058 -0.37863 -0.37281 -0.37193 -0.36962 -0.36514 -0.35835 -0.35266 -0.34779 -0.34029 -0.33714 -0.33629 -0.33579 -0.33303 -0.32954 -0.32791 -0.32254 -0.31976 -0.31757 -0.31385 -0.31160 -0.30847 -0.30447 -0.28732 -0.28377 -0.28215 -0.28014 -0.27708 -0.25039 -0.23877 -0.23702 -0.23271 -0.22286 -0.10275 -0.07885 -0.07241 -0.05546 -0.04929 -0.01918 -0.00734 -0.00471 -0.00316 0.00016 0.00169 0.00996 0.02082 0.03390 0.03728 0.04406 0.05158 0.06190 0.06491 0.07509 0.08777 0.10236 0.11765 0.12311 0.12902 0.13314 0.13720 0.14109 0.14557 0.14901 0.15363 0.15645 0.15709 0.16258 0.17539 0.18070 0.18281 0.18875 0.19630 0.21410 0.23884 0.24446 0.24765 0.25604 0.27245 0.27926 0.28845 0.30756 0.31045 0.31560 0.31990 0.32232 0.32846 0.33469 0.34268 0.34657 0.36487 0.36600 0.37050 0.38314 0.39791 0.40080 0.40372 0.41110 0.43544 0.43924 0.45111 0.45516 0.46242 0.46721 0.47926 0.49241 0.50269 0.51008 0.51062 0.52600 0.53256 0.53522 0.54104 0.54779 0.55215 0.55882 0.56536 0.56910 0.57231 0.57462 0.58133 0.58195 0.58514 0.59419 0.59505 0.59763 0.60040 0.60821 0.61176 0.61643 0.62795 0.63152 0.64353 0.64745 0.65427 0.66007 0.66487 0.66858 0.67268 0.68698 0.70445 0.70679 0.71775 0.72250 0.72997 0.74603 0.75114 0.75760 0.77140 0.78272 0.79401 0.79903 0.81650 0.81854 0.82191 0.82292 0.82676 0.82770 0.83566 0.83754 0.83991 0.84087 0.84540 0.84930 0.85821 0.85976 0.86454 0.87109 0.87490 0.87707 0.88136 0.88345 0.89136 0.90485 0.91286 0.91578 0.92891 0.94231 0.94810 0.95480 0.95816 0.96798 0.97724 0.97872 0.98598 0.99571 1.00480 1.01268 1.01705 1.02344 1.02916 1.03393 1.05411 1.05888 1.06655 1.07228 1.07755 1.08999 1.09772 1.10760 1.11502 1.11918 1.12287 1.13428 1.14086 1.14309 1.15298 1.15960 1.16713 1.17458 1.17875 1.19364 1.20042 1.22051 1.24936 1.25755 1.26392 1.27178 1.28566 1.30357 1.31796 1.32117 1.32974 1.33483 1.35266 1.37512 1.38393 1.38835 1.40309 1.40847 1.41780 1.42222 1.43178 1.43994 1.44455 1.45547 1.45921 1.46351 1.47279 1.47497 1.47890 1.48122 1.49109 1.49831 1.50688 1.51011 1.52283 1.52894 1.53264 1.55210 1.57862 1.59866 1.63902 1.65542 1.65834 1.67596 1.67648 1.68862 1.69557 1.69793 1.70157 1.71052 1.71376 1.72543 1.72978 1.74151 1.74637 1.75205 1.76808 1.77063 1.77787 1.78813 1.79275 1.80288 1.80664 1.81833 1.83026 1.85998 1.86248 1.87551 1.89281 1.89683 1.90072 1.90431 1.90618 1.92740 1.93180 1.94696 1.96089 1.97229 1.98606 1.99709 2.01037 2.01429 2.02024 2.02623 2.02863 2.05109 2.06243 2.08057 2.09428 2.09673 2.11694 2.12191 2.12737 2.13932 2.14804 2.15545 2.16075 2.16768 2.17039 2.17319 2.18660 2.19037 2.20204 2.20947 2.21842 2.22751 2.23653 2.26133 2.28504 2.29494 2.30520 2.31064 2.31445 2.33509 2.34069 2.34394 2.34532 2.35362 2.37999 2.40416 2.47730 2.50765 2.51200 2.52541 2.53849 2.55110 2.57469 2.59532 2.62067 2.64250 2.64590 2.65364 2.65869 2.65975 2.66343 2.67252 2.69383 2.74154 2.76239 2.76554 2.80096 2.84255 2.87336 2.87559 2.87651 2.88063 2.88218 2.88663 2.89289 2.89653 2.90052 2.93135 2.99644 3.02350 3.03873 3.04238 3.07065 3.09072 3.15207 3.21659 3.42515 3.49543 7.35519 8.39201 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 Rh Rh O C O H O C O H O C O H O C O H C C C C C H C H C H H H N N Cl C H H Cl C O O C H H H 0.466167 0.435356 -0.458932 0.445317 -0.447953 0.154318 -0.462136 0.446291 -0.449798 0.155098 -0.457194 0.444849 -0.455506 0.149729 -0.440165 0.444546 -0.471348 0.154624 -0.139908 0.161488 -0.162554 -0.171866 -0.140104 0.190186 -0.134187 0.132883 -0.122761 0.132288 0.130948 0.129132 0.221081 -0.098164 0.065837 -0.472265 0.252285 0.290772 -0.011178 0.663939 -0.427846 -0.460309 -0.216654 0.190276 0.168807 0.174611 0.00000 -2.5967 -1.0894 -0.8017 2.9278 -217.9150 -190.2796 -201.0879 -1.1338 -11.0435 4.3092 -14.8209 12.8146 2.0063 -1.1338 -11.0435 4.3092 25.7065 -75.0754 33.9804 -29.3747 -47.4209 -10.0580 44.9416 -15.0206 -12.5163 -12.3770 -12993.3725 -3682.5107 -2219.7645 37.8615 -98.1495 64.0027 53.1061 -15.1746 15.2618 -2627.3716 -2474.6982 -905.7808 89.7173 84.6837 -20.9550 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2543.1931887 6.444E-9 1.402E-6 -13.4985357,11.634908,1.8636277,0.3474893,-6.1990762,3.3159666 C01 [X(C14H14Cl2N2O10Rh2)] -1.2062614 -0.3257577 -0.22556 632.8742 AuxInfo=1/0/N:41,27,23,25,21,22,20,19,38,32,31,39,40;34,33,37;4,3,5;8,7,9;12,11,13;16,15,17;1;2/E:(3,4)(5,6);5*(2,3);;/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.1,11.2,12.1;;4*1.3,2-1,3-1;;/rA:44RhRhOC3OHOC3OHOC3OHOC3OHC3C3C3C3C3HC3HC3HHHN2N1ClCHHClC3O1OCHHH/rB:s1;s2;s3;s1s4;s4;s2;s7;s1s8;s8;s2;s11;s1s12;s12;s2;s15;s1s16;s16;;s19;s20;s20;s21;s21;s22;s22;s23s25;s23;s25;s27;s19;s31;;s33;s34;s34;s34;s19;s38;s38;s40;s41;s41;s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-G9 ANNA Molecule Name AM64L-G09RevD.01 RB3LYP GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq 2 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq 1/10=4,18=20,19=11,29=7,30=1,38=1,40=1/1,3 2/9=110,12=2,40=1/2 3/5=7,6=2,11=2,14=-4,16=1,17=8,25=1,30=1,70=2,71=2,74=-5,75=-5,82=7,116=1,140=1/1,2,3 4/5=101/1 5/5=2,98=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=4,18=20,19=11,30=1/3 99//99 Molecule Name Redundant internal coordinates found in file. Structure from the checkpoint file: "/opt/net_scratch/Gau-30111.chk" PT37402.100S Wed Oct 7 07:04:24 2020 336.364 -19.566 270.942 -11.388 -10.773 262.719 561.118 -2.116 421.308 -20.000 -37.501 505.994 -101.54724 -101.53675 -19.20096 -19.17834 -19.17798 -19.17656 -19.17611 -19.17578 -19.17486 -19.17474 -19.17436 -19.14588 -14.51851 -14.46723 -10.33624 -10.32573 -10.32224 -10.32222 -10.32131 -10.29828 -10.27452 -10.24011 -10.21640 -10.19106 -10.18766 -10.18522 -10.18455 -10.18175 -9.47869 -9.46938 -7.24172 -7.23293 -7.23290 -7.23113 -7.22267 -7.22209 -3.15351 -3.14706 -1.95585 -1.95546 -1.95332 -1.95028 -1.94962 -1.93044 -1.16110 -1.11591 -1.09906 -1.09390 -1.09216 -1.09174 -1.02858 -1.01609 -1.01153 -1.00910 -1.00885 -0.90476 -0.90442 -0.84989 -0.83212 -0.75580 -0.74835 -0.73841 -0.66833 -0.64702 -0.63087 -0.62370 -0.61831 -0.61295 -0.61209 -0.60050 -0.55898 -0.54487 -0.53764 -0.52103 -0.51662 -0.51457 -0.51048 -0.50728 -0.50251 -0.50001 -0.49565 -0.49415 -0.49101 -0.48611 -0.48214 -0.47735 -0.47570 -0.46781 -0.46230 -0.45118 -0.44860 -0.44730 -0.44646 -0.43832 -0.42949 -0.42127 -0.41778 -0.41127 -0.37975 -0.37360 -0.37266 -0.37074 -0.36644 -0.35904 -0.35410 -0.34847 -0.34150 -0.33842 -0.33750 -0.33670 -0.33274 -0.33049 -0.32892 -0.32447 -0.32081 -0.31884 -0.31386 -0.31239 -0.30901 -0.30541 -0.28838 -0.28468 -0.28339 -0.28145 -0.27817 -0.25103 -0.23988 -0.23852 -0.23409 -0.22379 -0.10422 -0.08275 -0.07378 -0.05694 -0.05244 -0.01898 -0.00788 -0.00711 -0.00398 -0.00060 0.00065 0.00872 0.02267 0.03189 0.03576 0.04257 0.05100 0.06023 0.06448 0.07395 0.08705 0.10190 0.11672 0.12453 0.13052 0.13380 0.13689 0.14066 0.14638 0.15010 0.15229 0.15496 0.15633 0.16096 0.17148 0.17739 0.18128 0.18901 0.19399 0.21394 0.24021 0.24184 0.24643 0.25535 0.26947 0.27868 0.28840 0.30673 0.30980 0.31314 0.31862 0.32146 0.32766 0.33295 0.34293 0.34529 0.36440 0.36507 0.37087 0.38160 0.39801 0.39877 0.40170 0.41137 0.43706 0.43794 0.44724 0.45561 0.45971 0.46205 0.47977 0.49453 0.50234 0.51176 0.51309 0.52522 0.52638 0.53546 0.53982 0.54470 0.55374 0.56095 0.56439 0.56519 0.57098 0.57547 0.57849 0.58072 0.58367 0.59249 0.59420 0.59715 0.59944 0.60747 0.61158 0.61653 0.62752 0.63054 0.64139 0.64722 0.64975 0.66409 0.66562 0.67066 0.68180 0.68533 0.70282 0.71055 0.72064 0.72313 0.73126 0.74755 0.75325 0.76413 0.77165 0.78210 0.78873 0.79814 0.80414 0.81655 0.81895 0.82184 0.82550 0.82591 0.82950 0.83596 0.83787 0.84310 0.84834 0.85200 0.85895 0.86039 0.86509 0.87072 0.87189 0.87721 0.88147 0.88307 0.89617 0.89989 0.91070 0.91239 0.92710 0.93910 0.94478 0.95253 0.95898 0.96512 0.97663 0.97914 0.98379 0.99491 1.00223 1.00916 1.01970 1.02599 1.03224 1.03698 1.05681 1.06503 1.07027 1.07476 1.08711 1.08824 1.09558 1.10985 1.11287 1.12161 1.12312 1.13124 1.13842 1.14228 1.15317 1.15707 1.16775 1.17429 1.18630 1.19152 1.20249 1.20988 1.23839 1.25316 1.25724 1.26613 1.28188 1.30119 1.30960 1.32187 1.32572 1.33506 1.35044 1.37057 1.37602 1.38492 1.40084 1.40901 1.41677 1.42331 1.42890 1.43919 1.44422 1.45483 1.45752 1.46267 1.46763 1.47400 1.47808 1.48074 1.49079 1.49946 1.50572 1.50944 1.52215 1.53089 1.53136 1.55087 1.57674 1.59724 1.63742 1.65447 1.65719 1.67399 1.67800 1.68617 1.69455 1.69715 1.70315 1.70948 1.71212 1.72711 1.72778 1.74042 1.74447 1.75094 1.76698 1.76879 1.77664 1.78680 1.79144 1.80134 1.80558 1.81706 1.82868 1.85867 1.86065 1.87286 1.89109 1.89511 1.90188 1.90233 1.90524 1.92535 1.93004 1.94286 1.95821 1.97033 1.98520 1.99501 2.00841 2.01346 2.01997 2.02320 2.02778 2.05047 2.06281 2.07911 2.09538 2.09780 2.11790 2.12578 2.12883 2.14533 2.15098 2.15354 2.16472 2.16681 2.16909 2.17321 2.18150 2.19038 2.19948 2.20837 2.21727 2.22675 2.23884 2.25647 2.28406 2.29322 2.30347 2.30923 2.31366 2.33425 2.33865 2.34245 2.34434 2.35236 2.37810 2.40203 2.47572 2.50783 2.50946 2.52433 2.53494 2.54978 2.56990 2.59367 2.61736 2.63712 2.64187 2.65261 2.65651 2.65825 2.66241 2.67076 2.69118 2.74009 2.76100 2.76398 2.79814 2.83622 2.87156 2.87305 2.87487 2.87802 2.87959 2.88542 2.89122 2.89516 2.89848 2.92747 2.99491 3.02349 3.03860 3.04005 3.06746 3.08689 3.14931 3.21207 3.42244 3.48010 7.46282 8.47049 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 Rh Rh O C O H O C O H O C O H O C O H C C C C C H C H C H H H N N Cl C H H Cl C O O C H H H 0.461356 0.440055 -0.458282 0.446352 -0.449163 0.155029 -0.461692 0.445848 -0.448323 0.155399 -0.454190 0.444398 -0.465167 0.150811 -0.441752 0.443666 -0.468332 0.154177 -0.134547 0.161336 -0.161530 -0.171324 -0.140301 0.190255 -0.134116 0.133245 -0.122541 0.132536 0.131171 0.129432 0.204810 -0.093146 0.062228 -0.468818 0.274012 0.275214 -0.012069 0.663299 -0.427170 -0.459363 -0.216710 0.189733 0.169253 0.174922 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 7 8 9 11 12 13 15 16 17 19 20 21 22 23 25 27 31 32 33 34 37 38 39 40 41 Rh Rh O C O O C O O C O O C O C C C C C C C N N Cl C Cl C O O C 0.461356 0.440055 -0.458282 0.601381 -0.449163 -0.461692 0.601247 -0.448323 -0.454190 0.595208 -0.465167 -0.441752 0.597843 -0.468332 -0.134547 0.161336 0.028725 -0.038079 -0.007765 -0.002944 0.006891 0.204810 -0.093146 0.062228 0.080408 -0.012069 0.663299 -0.427170 -0.459363 0.317199 0.00000 -2.9751 -1.1241 -0.5475 3.2272 -221.9842 -188.3370 -203.3439 -3.2337 -9.0072 2.0792 -17.4292 16.2180 1.2112 -3.2337 -9.0072 2.0792 -5.4811 -66.8543 51.0652 -20.9083 -13.7361 14.8385 39.3127 1.2207 -9.8580 -7.5917 -13430.1998 -3285.8032 -2407.8801 38.9062 -14.6402 91.3114 83.0917 8.7498 -16.2294 -2563.5488 -2587.4054 -888.7199 41.3118 62.2249 -37.6626 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -2543.1931887 4.819E-9 1.406E-6 0.291082 0.3246179 C01 [X(C14H14Cl2N2O10Rh2)] -1.2062612 -0.3257584 -0.225559 0.4132995 0.0004531 -0.1954847 -0.0219696 1.1610082 -0.0025431 -0.1760072 0.0038926 1.1088109 1.0176617 -0.0917863 -0.0866839 -0.0120178 1.0107279 0.0406052 -0.0151887 0.0504315 0.9347788 -0.6638074 -0.0770044 -0.2124691 -0.1366107 -0.492678 -0.4189777 -0.1917013 -0.3942382 -0.6662852 1.199316 -0.0088786 0.1545349 0.0542576 0.4925428 0.3888738 0.0983571 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