%chk=000227576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227576

0 1
O -2.557769 2.277238 -0.054068
N 4.685485 0.424499 -0.571308
C 0.517543 -0.251885 0.250983
C 0.215620 -0.897875 1.576799
C -0.412325 0.114091 -0.645439
C 1.956251 -0.017179 -0.031777
C -1.859083 -0.093535 -0.485628
C 0.724163 -2.337561 1.627524
C -2.788031 0.932324 -0.237586
C -2.355503 -1.405804 -0.625607
C 2.688627 0.916617 0.716583
C 2.605168 -0.726854 -1.053353
C -4.173410 0.660957 -0.139061
C -3.715944 -1.682775 -0.530823
C -4.626495 -0.642009 -0.288582
C 4.045858 1.106655 0.414606
C 3.965971 -0.478144 -1.288496
C -1.208263 2.792737 -0.051373
H -0.877953 -0.880915 1.776045
H 0.676274 -0.305099 2.394576
H -0.129330 0.574354 -1.597300
H 1.810479 -2.388779 1.483056
H 0.497126 -2.801603 2.594159
H 0.260323 -2.954015 0.848638
H -1.648399 -2.214782 -0.814178
H 2.217340 1.481875 1.515676
H 2.064147 -1.458665 -1.648219
H -4.856542 1.486505 0.052402
H -4.076126 -2.701932 -0.644863
H -5.692006 -0.858860 -0.216652
H 4.656082 1.826382 0.972977
H 4.513154 -1.011338 -2.075002
H -0.764979 2.695693 -1.045921
H -0.607081 2.299125 0.717007
H -1.377871 3.848657 0.199203


%chk=000227576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227576

0 1
O -2.222003 2.022628 -1.390893
N 4.782439 0.528234 -0.757349
C 0.645215 -0.353452 0.404706
C 0.414970 -1.055133 1.738098
C -0.377777 0.062244 -0.420480
C 2.057024 -0.061255 0.012130
C -1.830046 -0.168423 -0.309027
C 0.858277 -2.542634 1.741386
C -2.725459 0.822644 -0.825990
C -2.411810 -1.377439 0.174164
C 3.103874 0.064345 0.970415
C 2.443172 0.094651 -1.352378
C -4.119902 0.618546 -0.856850
C -3.806674 -1.583662 0.155440
C -4.666352 -0.586378 -0.362668
C 4.418426 0.358318 0.549063
C 3.781570 0.388792 -1.681050
C -1.729296 3.018546 -0.418140
H -0.648405 -0.980865 2.020748
H 0.975097 -0.522297 2.532028
H -0.112097 0.691920 -1.281694
H 1.933949 -2.640971 1.510303
H 0.677938 -3.001759 2.730438
H 0.303560 -3.126975 0.984536
H -1.757191 -2.185542 0.514264
H 2.907683 -0.045663 2.041265
H 1.713612 -0.039846 -2.157186
H -4.754062 1.405723 -1.276948
H -4.221005 -2.528533 0.523352
H -5.749363 -0.748460 -0.389617
H 5.224828 0.465711 1.283902
H 4.082491 0.510061 -2.728024
H -0.923113 2.600531 0.214322
H -2.558994 3.372642 0.224035
H -1.338077 3.851849 -1.021303


