Gaussian 09 RwB97XD GenECP SP # spwb97xd/genecp scrf=(smd,solvent=dichloroethane) g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-12699.inp" -scrdir="/scratch/" PT31.800S 2020-03-12T13:05:36.000+01:00 -3.69342 -2.33290 -2.33057 -2.33057 -0.71825 -0.42779 -0.41604 -0.41604 -0.40790 -0.40789 -0.32829 -0.31408 -0.31408 0.00115 0.06752 0.06752 0.07897 0.15015 0.16855 0.16855 0.22322 0.46019 0.48889 0.48889 0.51698 0.51700 0.51755 0.51755 0.65241 0.66998 0.67001 0.79023 0.79023 0.87228 1.65385 1.65385 1.67912 2.32038 2.89225 2.89225 2.89323 2.89325 2.89426 2.89477 2.89477 2.95360 2.95360 2.98849 2.98849 3.05749 11.40695 27.24279 27.24279 27.25905 49.18777 1-SG. Mulliken charges: 1 1 2 Ag I 0.544410 -0.544410 0.00000 0.0000 0.0000 -9.1384 9.1384 -40.1771 -40.1771 -32.4670 0.0000 0.0000 0.0000 -2.5700 -2.5700 5.1401 0.0000 0.0000 0.0000 0.0000 0.0000 -36.2964 0.0000 0.0000 -6.7683 0.0000 0.0000 -6.7683 0.0000 -60.8921 -60.8921 -427.3901 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -20.2973 -87.4798 -87.4798 0.0000 0.0000 0.0000 (SG)|(PI)|(PI)|(SG)|(SG)|(PI)|(PI)|(SG)|(SG)|(PI)|(PI)|(DLTA)|(DLTA)|(PI)|(PI)|(SG)|(DLTA)|(DLTA)|(PI)|(PI)|(SG)|(PI)|(PI)|(SG)|(SG)|(PI)|(PI)|(DLTA)|(DLTA)|(SG)|(PHI)|(PHI)|(DLTA)|(DLTA)|(PI)|(PI)|(SG)|(SG)|(PI)|(PI)|(SG)|(SG) (SG)|(SG)|(PI)|(PI)|(SG)|(SG)|(PI)|(PI)|(DLTA)|(DLTA)|(SG)|(PI)|(PI) GINC-KIMIK6002 CGARCIA 2020-03-12T00:00:00.000+01:00 0 Title Card Required 0 1 Version=EM64L-G09RevD.01 State=1-SG HF=-157.2362653 RMSD=2.085e-09 Dipole=1.3758059,2.7645627,-1.8413678 Quadrupole=-1.071358,1.478508,-0.40715,1.6866918,-1.1234399,-2.2574551 PG=C*V [C*(Ag1I1)] 0 -1.232249 -1.630791 -1.328769 0 -2.266413 -3.708854 0.055348