%chk=000108275.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108275

0 1
O -5.311963 -0.744980 0.375441
N -1.705859 0.153268 0.199431
C 0.182460 -0.241309 -1.460223
C 0.432709 1.425935 0.726967
C -0.009243 1.251470 -1.805661
C 0.130121 2.181612 -0.585324
C -1.037699 -0.834347 -0.708988
C -0.811896 0.682922 1.279559
C 1.427358 -0.409670 -0.621391
C 1.554746 0.441427 0.496078
C -2.936309 -0.458120 0.801838
C 2.421314 -1.347277 -0.903772
C 2.675114 0.348428 1.322467
C 3.543959 -1.438775 -0.069852
C 3.670087 -0.596204 1.036360
C -4.095487 -0.231418 -0.186215
H 0.289041 -0.810122 -2.416713
H 0.737863 2.175106 1.498592
H -1.010108 1.387415 -2.258541
H 0.729414 1.538260 -2.576677
H 0.935625 2.916198 -0.769245
H -0.804629 2.760455 -0.456501
H -1.796772 -1.139047 -1.464176
H -0.722077 -1.759994 -0.179018
H -0.477118 -0.107077 1.986765
H -1.417031 1.411438 1.864831
H -3.180084 0.030476 1.768523
H -2.839707 -1.541191 1.029039
H 2.331664 -2.004977 -1.765094
H 2.782165 1.003270 2.183875
H 4.319719 -2.169635 -0.288596
H 4.544208 -0.670146 1.679926
H -3.983343 -0.822554 -1.113382
H -4.218021 0.835091 -0.441688
H -5.591522 -0.210128 1.141662


%chk=000108275-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108275

0 1
O -5.428789 -0.678589 0.201546
N -1.698728 0.081534 0.274460
C 0.173643 -0.312286 -1.409274
C 0.437187 1.374436 0.769096
C -0.064862 1.184893 -1.776315
C 0.078944 2.138203 -0.542574
C -1.054867 -0.893267 -0.636860
C -0.816882 0.628735 1.331882
C 1.463491 -0.437753 -0.611584
C 1.598312 0.428320 0.506111
C -3.012647 -0.387069 0.771230
C 2.500369 -1.341974 -0.928341
C 2.767955 0.379347 1.295001
C 3.670274 -1.394481 -0.132400
C 3.804099 -0.532918 0.980596
C -4.141622 -0.124217 -0.250794
H 0.270253 -0.904124 -2.340569
H 0.740140 2.105228 1.544515
H -1.076106 1.287301 -2.210050
H 0.664105 1.469895 -2.558076
H 0.871518 2.885408 -0.735754
H -0.866553 2.688036 -0.384669
H -1.816004 -1.196827 -1.379814
H -0.737161 -1.821996 -0.098292
H -0.471997 -0.154997 2.053098
H -1.421986 1.357866 1.904963
H -3.249627 0.161294 1.705361
H -3.013973 -1.472957 1.030677
H 2.397201 -2.004879 -1.796699
H 2.873357 1.053297 2.154453
H 4.472268 -2.099020 -0.380643
H 4.709904 -0.569198 1.596587
H -3.944856 -0.643995 -1.202375
H -4.211239 0.964212 -0.453931
H -5.706422 -0.211657 1.029736


