%chk=000245415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245415

0 1
O -0.400261 1.722323 0.803240
O 4.226759 0.756250 -0.752345
O 3.400166 -1.206186 0.015265
N -1.754321 0.052634 0.076756
C -2.964251 0.808338 0.505512
C -1.985207 -1.284753 -0.518479
C -3.601368 1.585329 -0.675885
C -2.310417 -2.361309 0.550451
C -0.495777 0.620994 0.273609
C -2.905139 2.934071 -0.874432
C -5.100362 1.778785 -0.416586
C -1.095356 -2.681683 1.422821
C -2.824070 -3.623408 -0.152011
C 0.722127 -0.164076 -0.181903
C 1.943523 0.749038 -0.259554
C 3.213417 -0.050794 -0.290147
C 5.580670 0.204686 -0.806447
C 6.184411 0.187743 0.582162
H -2.673729 1.519769 1.316547
H -3.692811 0.097983 0.950411
H -2.833318 -1.208751 -1.238263
H -1.103161 -1.596081 -1.120302
H -3.480653 0.983893 -1.610937
H -3.123308 -1.966927 1.211808
H -3.131256 3.634132 -0.061829
H -3.203700 3.408825 -1.813030
H -1.811340 2.819806 -0.883459
H -5.284022 2.323035 0.516763
H -5.630819 0.823541 -0.356010
H -5.564405 2.360664 -1.221511
H -0.257389 -3.075562 0.837003
H -1.338989 -3.437101 2.179303
H -0.743520 -1.792909 1.960440
H -2.073394 -4.051338 -0.825844
H -3.726297 -3.425852 -0.740185
H -3.077930 -4.402177 0.577279
H 0.545877 -0.659775 -1.158990
H 0.915302 -0.994667 0.538322
H 1.960739 1.445268 0.618874
H 1.883811 1.431678 -1.135039
H 6.069971 0.925167 -1.487138
H 5.532308 -0.800223 -1.262016
H 6.091024 1.164661 1.074208
H 5.680319 -0.548967 1.225822
H 7.248749 -0.072873 0.554643


%chk=000245415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245415

0 1
O -0.347454 1.859997 0.754897
O 4.384419 0.784649 -0.618806
O 3.312493 -1.214854 -0.075124
N -1.734211 0.143296 0.009130
C -2.916932 0.831348 0.582956
C -1.961697 -1.177379 -0.616474
C -3.907514 1.393640 -0.474086
C -2.299851 -2.324213 0.382570
C -0.486357 0.750806 0.140865
C -3.220353 2.413975 -1.408600
C -5.114975 2.024615 0.258957
C -1.171119 -2.552893 1.411175
C -2.605739 -3.613682 -0.415260
C 0.728279 0.036645 -0.478187
C 2.008267 0.876062 -0.324939
C 3.256883 0.014680 -0.323479
C 5.706615 0.086220 -0.560178
C 6.246512 0.065677 0.872708
H -2.529190 1.662940 1.196704
H -3.453570 0.130226 1.252315
H -2.795051 -1.085622 -1.342042
H -1.069664 -1.468216 -1.195636
H -4.288726 0.552843 -1.092447
H -3.219392 -2.039945 0.935019
H -2.833230 3.272450 -0.829081
H -3.930111 2.797174 -2.165061
H -2.364767 1.959178 -1.940108
H -4.787894 2.870137 0.893942
H -5.627291 1.290035 0.909103
H -5.855429 2.413243 -0.463757
H -0.246823 -2.906358 0.914718
H -1.467069 -3.319306 2.150583
H -0.932488 -1.624988 1.961756
H -1.716749 -3.943167 -0.987095
H -3.435935 -3.464593 -1.131624
H -2.888868 -4.437369 0.264700
H 0.542704 -0.181080 -1.547325
H 0.885513 -0.941517 0.014366
H 1.956767 1.432087 0.632248
H 2.098112 1.652220 -1.103208
H 6.342798 0.682134 -1.233957
H 5.581474 -0.936907 -0.956592
H 6.310539 1.087977 1.283629
H 5.599200 -0.543115 1.525939
H 7.260481 -0.375848 0.883684


