%chk=000218440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218440

0 1
O 3.972981 -0.876748 0.329826
O 4.169298 1.994695 0.584611
O 1.492187 -1.945026 1.164897
O -1.813507 1.509613 -1.547748
O 2.933469 -0.271846 -1.590206
N 1.908320 2.079212 0.631034
N 0.531595 0.117686 0.959407
N -0.499791 2.264103 0.750861
N -1.746336 1.608373 0.745842
N -5.199776 -1.996514 -0.047032
C 3.056617 -0.110031 1.115190
C 3.152516 1.369783 0.740272
C 0.663795 1.415236 0.737425
C 1.637452 -0.757021 1.069072
C -3.269924 0.008472 -0.327503
C -2.218592 1.056304 -0.502103
C 3.797014 -0.922319 -1.061359
C -4.590803 0.256722 -0.711162
C -2.907776 -1.239166 0.192941
C 4.821755 -1.838726 -1.611293
C -5.528235 -0.779321 -0.550322
C -3.909205 -2.218296 0.312375
H 3.481073 -0.248744 2.149366
H 1.959309 3.081456 0.409995
H -0.489816 3.028386 0.045004
H -1.880599 1.044239 1.605295
H -4.885716 1.217957 -1.129644
H -1.875084 -1.455384 0.484883
H 4.345842 -2.710936 -2.093516
H 5.508773 -2.225261 -0.837682
H 5.431293 -1.332776 -2.379466
H -6.579557 -0.641756 -0.833102
H -3.681673 -3.216664 0.708444


%chk=000218440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218440

0 1
O 4.636797 -0.566286 0.649744
O 4.177350 2.201495 0.052011
O 2.329226 -2.162834 0.874885
O -2.884732 2.322103 -0.422493
O 3.868948 -0.563086 -1.542929
N 1.887720 1.822636 0.052282
N 0.902081 -0.345617 0.551861
N -0.439245 1.437050 -0.020324
N -1.515307 0.553537 0.078756
N -6.252131 -1.517314 0.093691
C 3.357865 0.060478 0.997149
C 3.221871 1.436533 0.308289
C 0.812490 0.941172 0.213238
C 2.157236 -0.925533 0.773764
C -3.933707 0.139081 -0.056860
C -2.773160 1.077664 -0.149813
C 4.756879 -0.881089 -0.721882
C -5.231463 0.687758 -0.203673
C -3.816563 -1.257844 0.162916
C 6.038295 -1.621323 -0.987610
C -6.348976 -0.169969 -0.120904
C -4.994438 -2.034761 0.229626
H 3.446274 0.235273 2.086721
H 1.763695 2.745724 -0.376633
H -0.728200 2.393380 -0.263194
H -1.211322 -0.399868 0.324326
H -5.343226 1.761577 -0.379025
H -2.850000 -1.761039 0.274294
H 5.943078 -2.656102 -0.611866
H 6.876413 -1.147836 -0.451201
H 6.237979 -1.646051 -2.068255
H -7.365668 0.222655 -0.228872
H -4.939159 -3.115863 0.396584


