Gaussian 09 RwB97XD GenECP SP # sp wb97xd/genecp scrf=(smd,solvent=dichloroethane) g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-10820.inp" -scrdir="/scratch/" PT20106.600S 2019-06-28T18:33:52.000+02:00 -19.33307 -19.32848 -19.26717 -19.26425 -14.71554 -10.43104 -10.37306 -10.36294 -10.36249 -10.36114 -10.36086 -10.36067 -10.33060 -10.32211 -10.32083 -10.32025 -10.31961 -10.30136 -10.30019 -10.29981 -10.29859 -10.29823 -10.28948 -3.27662 -2.09651 -2.06277 -2.06080 -1.38376 -1.20888 -1.20401 -1.11250 -1.05398 -1.01242 -0.93349 -0.92644 -0.92203 -0.88384 -0.85023 -0.84714 -0.84664 -0.84389 -0.82053 -0.75992 -0.75504 -0.73974 -0.72491 -0.69030 -0.67129 -0.66554 -0.65415 -0.65056 -0.64942 -0.62879 -0.59930 -0.59348 -0.57933 -0.57573 -0.57553 -0.56606 -0.55409 -0.54419 -0.54348 -0.54161 -0.53877 -0.52340 -0.51484 -0.50802 -0.50519 -0.50328 -0.50159 -0.49836 -0.49567 -0.49073 -0.48092 -0.47920 -0.47756 -0.46864 -0.46507 -0.45726 -0.45666 -0.45293 -0.44761 -0.43446 -0.43030 -0.41931 -0.40300 -0.39565 -0.38830 -0.37641 -0.37004 -0.35873 -0.34338 -0.33815 -0.06677 -0.03969 -0.02649 0.02703 0.03222 0.04143 0.04425 0.04589 0.04638 0.05663 0.05696 0.05988 0.06292 0.06600 0.07222 0.07444 0.07866 0.08024 0.08312 0.08781 0.08877 0.09216 0.09404 0.09524 0.10137 0.10323 0.10549 0.10986 0.11361 0.11690 0.12100 0.12515 0.12858 0.13364 0.14060 0.14266 0.14590 0.14978 0.15287 0.15301 0.15916 0.16073 0.16384 0.16501 0.16740 0.16749 0.17190 0.17294 0.17536 0.17907 0.18058 0.18403 0.18867 0.19247 0.19368 0.19527 0.19729 0.20028 0.20344 0.20568 0.20615 0.20850 0.20924 0.20933 0.21144 0.21448 0.21582 0.22002 0.22162 0.22282 0.22507 0.22628 0.22894 0.23257 0.23294 0.23560 0.23838 0.23972 0.24349 0.24454 0.24656 0.24871 0.25070 0.25655 0.25809 0.25982 0.26416 0.26487 0.26856 0.26997 0.27567 0.27904 0.28088 0.28193 0.28712 0.29282 0.29633 0.29945 0.30123 0.30224 0.30354 0.30877 0.30978 0.31209 0.31559 0.31918 0.32241 0.32734 0.32800 0.33065 0.33309 0.33345 0.33939 0.34152 0.34458 0.34943 0.35104 0.35619 0.35866 0.36554 0.36901 0.37243 0.37500 0.37726 0.38165 0.38408 0.38638 0.39339 0.39665 0.40143 0.40449 0.40775 0.40972 0.41268 0.41648 0.42375 0.42559 0.42721 0.42819 0.43102 0.43467 0.43702 0.44028 0.44681 0.44946 0.45143 0.45532 0.46057 0.46316 0.46941 0.47719 0.47993 0.48276 0.49250 0.49920 0.50162 0.50618 0.50852 0.51360 0.52182 0.52675 0.52917 0.54117 0.54622 0.54835 0.56170 0.57144 0.57500 0.58420 0.58636 0.59264 0.59599 0.60120 0.60478 0.60784 0.60910 0.61423 0.62835 0.63357 0.63536 0.64579 0.64782 0.65776 0.66034 0.66840 0.67036 0.67540 0.68076 0.68849 0.69256 0.69917 0.70161 0.70474 0.70615 0.71219 0.72036 0.72240 0.72589 0.73291 0.73673 0.73759 0.74732 0.74957 0.75748 0.76248 0.76391 0.76783 0.77043 0.77464 0.78228 0.78440 0.78711 0.79167 0.79599 0.79932 0.80673 0.81160 0.81417 0.82005 0.82540 0.82732 0.83614 0.83958 0.84191 0.84703 0.85545 0.86015 0.86217 0.86664 0.87405 0.88175 0.88611 0.89032 0.90044 0.90545 0.90835 0.91465 0.91823 0.93538 0.93787 0.94493 0.94980 0.95532 0.97378 0.97494 0.98068 0.99063 1.00798 1.01261 1.01791 1.02579 1.04349 1.04666 1.05090 1.06233 1.06965 1.08081 1.08385 1.10026 1.10212 1.10597 1.11139 1.11423 1.12056 1.12785 1.14081 1.14284 1.14916 1.15741 1.17245 1.17670 1.18191 1.18666 1.20124 1.20687 1.21099 1.22291 1.22651 1.23869 1.25209 1.26075 1.28109 1.30033 1.30187 1.31302 1.32430 1.32889 1.34172 1.35648 1.36707 1.37846 1.38759 1.40053 1.40735 1.41608 1.43165 1.43883 1.44185 1.45952 1.46578 1.47330 1.47529 1.48885 1.49689 1.50163 1.51823 1.53273 1.53539 1.54001 1.54096 1.55189 1.55336 1.56080 1.57145 1.57895 1.58130 1.59051 1.60350 1.60857 1.61544 1.62220 1.62915 1.63665 1.64055 1.64874 1.65480 1.66181 1.66703 1.66978 1.68538 1.68882 1.69307 1.69547 1.70260 1.71108 1.71251 1.71336 1.71626 1.72351 1.72846 1.73452 1.73703 1.74064 1.74919 1.75857 1.76458 1.77064 1.78033 1.79302 1.81070 1.81775 1.82268 1.82600 1.82869 1.84054 1.84658 1.85862 1.86070 1.86274 1.87629 1.89068 1.89750 1.91438 1.92211 1.92642 1.93626 1.93729 1.94343 1.94855 1.95912 1.96122 1.97134 1.97257 1.97982 1.98716 1.99015 1.99742 2.00105 2.00290 2.02427 2.02512 2.03039 2.03950 2.05627 2.08048 2.08424 2.10294 2.10792 2.11503 2.12504 2.12851 2.13370 2.14067 2.16485 2.17270 2.18000 2.19340 2.20105 2.20559 2.21127 2.22692 2.23090 2.23446 2.25700 2.28182 2.28453 2.29284 2.30485 2.32048 2.32509 2.33306 2.34073 2.34651 2.35331 2.38274 2.39437 2.40453 2.41349 2.43013 2.44361 2.45528 2.48113 2.50129 2.50199 2.50501 2.52061 2.53268 2.54392 2.55607 2.56718 2.57321 2.58100 2.58673 2.58945 2.59454 2.59853 2.60133 2.61006 2.61176 2.61545 2.62003 2.62773 2.64094 2.64336 2.65259 2.65447 2.65895 2.66578 2.67104 2.67201 2.67609 2.68357 2.68579 2.70300 2.71270 2.72076 2.72358 2.72830 2.73376 2.74026 2.75459 2.77385 2.77867 2.78470 2.80393 2.81459 2.82276 2.82854 2.83664 2.84020 2.84466 2.85132 2.85477 2.85849 2.86421 2.87202 2.87436 2.88290 2.89802 2.90086 2.90763 2.90997 2.92010 2.92920 2.94008 2.94924 2.96018 2.97749 2.98041 2.98746 2.99659 3.00240 3.01325 3.03390 3.04300 3.04885 3.06262 3.08399 3.08990 3.10934 3.12341 3.15025 3.16394 3.18974 3.19357 3.20224 3.20786 3.21416 3.24491 3.25655 3.27058 3.29161 3.30515 3.31163 3.32685 3.34648 3.36443 3.37235 3.38228 3.38882 3.39486 3.40631 3.43099 3.43700 3.44817 3.48192 3.48959 3.51820 3.59662 3.62647 3.64942 3.65157 3.66148 3.70077 3.70700 3.75560 3.75947 3.78597 3.79994 3.83947 3.86847 3.87573 3.89257 3.89852 3.90025 3.90415 3.90848 3.92216 3.93026 3.94503 3.96164 3.96997 3.97949 4.00121 4.01822 4.10878 4.12325 4.13657 4.23912 4.25238 4.28628 4.35875 4.44815 4.45823 4.52165 4.52447 4.65551 4.75695 4.84490 4.88981 5.12581 5.17715 5.21930 5.22188 5.24925 5.37959 5.40864 5.50448 5.75615 5.85478 6.06692 6.35506 20.63373 20.69177 20.86708 23.77059 23.81462 23.98982 24.05890 24.06255 24.07077 24.07881 24.08215 24.09698 24.10385 24.11285 24.13693 24.14341 24.15932 24.17640 24.19457 24.20894 24.29152 35.53375 40.07206 50.03016 50.08816 50.11734 50.14876 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 -0.208250 0.406958 -0.119034 0.096323 -1.209964 -0.214941 0.489278 -0.237956 -0.499918 0.601605 0.272507 0.308078 0.287012 0.784486 0.102320 -0.049544 0.187134 0.253641 -0.186356 -1.040614 0.218783 0.218616 0.199865 0.008254 0.175978 -0.249182 -0.724375 -0.477621 -0.756429 -0.382769 -0.885659 0.151452 0.175802 0.290685 0.202058 0.273468 0.220488 0.217621 0.257344 0.191066 0.258938 0.197922 0.199270 0.209829 0.215361 0.261311 0.309159 1.00000 2.3718 -7.9008 -4.6543 9.4716 -113.4284 -133.3002 -138.2898 7.4079 7.4198 -2.7716 14.9110 -4.9607 -9.9503 7.4079 7.4198 -2.7716 1.7550 12.2657 -36.7324 51.4262 -31.0927 -25.5889 27.4630 -26.2867 15.1299 -6.1091 -3364.7263 -2554.1673 -1901.8177 90.3566 70.0155 141.6737 7.6448 82.9011 -18.0181 -1101.3911 -901.1362 -762.1022 -1.7897 -21.2829 8.2491 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2019-06-28T00:00:00.000+02:00 0 Title Card Required 1 1 Version=EM64L-G09RevD.01 State=1-A HF=-1164.7029069 RMSD=4.825e-09 Dipole=0.9331333,-3.1084091,-1.8311512 Quadrupole=11.0859857,-3.6881484,-7.3978373,5.5076015,5.5164419,-2.0606103 PG=C01 [X(C18H23N1O4Rh1)] 0 -0.332255 2.994756 -0.549852 0 0.887677 2.969721 -0.222265 0 1.509022 1.907977 0.085761 0 -2.344392 0.351895 0.472974 0 -1.51927 0.681173 -0.609551 0 -3.61892 -0.184827 0.361087 0 -2.063516 0.463622 -1.879734 0 -4.109594 -0.407274 -0.922051 0 -3.339832 -0.073652 -2.036909 0 -0.783749 1.778063 -0.550614 0 -1.481335 0.733639 -2.755926 0 -5.097695 -0.83556 -1.049505 0 -3.740555 -0.2355 -3.032351 0 0.556048 0.018052 0.081394 0 0.559358 -2.063036 0.639691 0 1.854123 -1.46069 0.92663 0 2.412016 -1.014429 -0.309248 0 0.331073 -1.98246 -0.758592 0 1.446219 -1.268957 -1.350489 0 1.667132 4.253555 -0.20684 0 2.158662 4.368766 0.762163 0 2.447163 4.202498 -0.971973 0 1.018393 5.106658 -0.402542 0 -0.576218 0.755538 1.91622 0 -2.553625 0.657181 2.757953 0 -1.811074 0.596922 1.804958 0 -0.351705 -2.675774 1.647122 0 2.48307 -1.383486 2.27424 0 -0.834184 -2.559365 -1.484459 0 1.62928 -0.979186 -2.799991 0 3.725738 -0.344545 -0.505116 0 -1.767327 -2.40831 -0.93689 0 -0.941635 -2.128026 -2.47954 0 -0.673977 -3.637437 -1.593552 0 -1.380013 -2.708639 1.282253 0 -0.028875 -3.702656 1.849901 0 -0.32953 -2.125728 2.590517 0 1.732939 -1.225354 3.051658 0 2.995022 -2.328752 2.485616 0 3.215427 -0.576689 2.328304 0 4.451855 -1.087938 -0.851577 0 3.657978 0.439723 -1.26147 0 4.097705 0.094433 0.421023 0 0.669433 -0.829164 -3.297978 0 2.241927 -0.087775 -2.947408 0 2.134114 -1.825287 -3.278902 0 -4.201591 -0.429089 1.241685