%chk=000211122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211122

0 1
O 0.527501 -1.565096 0.068656
N -2.682964 0.781062 -0.257806
C -1.224700 0.975134 -0.499290
C -0.373633 0.895919 0.802058
C -3.046530 -0.560796 0.312063
C -1.028741 2.326594 -1.196175
C 1.073158 0.671945 0.490365
C -2.854299 -1.634832 -0.767288
C -4.505006 -0.508830 0.789026
C 1.535256 -0.618753 0.112143
C 2.008613 1.703520 0.552860
C 2.877366 -0.865052 -0.183015
C 3.361628 1.471548 0.257891
C 3.789198 0.197136 -0.106199
C 0.900566 -2.931058 -0.230596
H -0.887714 0.151888 -1.186741
H -0.745027 0.050742 1.426915
H -0.514976 1.806364 1.411683
H -2.388196 -0.819378 1.189156
H -3.057760 1.532733 0.326895
H 0.019566 2.465060 -1.483456
H -1.315444 3.170843 -0.562443
H -1.637962 2.382449 -2.107904
H -3.248927 -2.601269 -0.445013
H -3.364413 -1.352273 -1.696940
H -1.789782 -1.762171 -1.005728
H -4.644524 0.198461 1.611895
H -4.840180 -1.491122 1.136930
H -5.175302 -0.204186 -0.025660
H 1.686563 2.705732 0.835139
H 3.224221 -1.851313 -0.470307
H 4.072050 2.292310 0.315432
H 4.838530 0.016483 -0.335167
H 1.603245 -3.309156 0.517282
H 1.307283 -2.999529 -1.243589
H -0.065064 -3.448308 -0.158071


%chk=000211122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211122

0 1
O 0.715039 -1.689611 -0.112353
N -2.719505 0.778805 -0.212152
C -1.265288 0.851693 -0.488597
C -0.369748 0.729705 0.803444
C -3.279686 -0.423615 0.457775
C -0.981629 2.162412 -1.246906
C 1.111452 0.591720 0.512970
C -2.981056 -1.696027 -0.364646
C -4.799613 -0.213773 0.623275
C 1.649292 -0.640771 0.031127
C 2.010336 1.669759 0.688516
C 3.026116 -0.778087 -0.263384
C 3.390410 1.550477 0.398660
C 3.894831 0.323207 -0.079547
C 1.215247 -2.990207 -0.560461
H -1.005179 0.001253 -1.144300
H -0.714595 -0.156122 1.369314
H -0.546667 1.624644 1.433112
H -2.846546 -0.575970 1.479479
H -3.055804 1.644277 0.235336
H 0.087754 2.249709 -1.504567
H -1.254572 3.042102 -0.628700
H -1.577795 2.199316 -2.175065
H -3.480807 -2.569271 0.093905
H -3.357321 -1.572678 -1.396819
H -1.897334 -1.904839 -0.406001
H -5.017803 0.699173 1.211511
H -5.258429 -1.071015 1.148509
H -5.276552 -0.105724 -0.367673
H 1.614150 2.621152 1.064276
H 3.430942 -1.725927 -0.630814
H 4.060059 2.404117 0.547759
H 4.960609 0.213727 -0.309371
H 1.967795 -3.397154 0.142735
H 1.653044 -2.926792 -1.575826
H 0.332450 -3.646865 -0.579515


