%chk=000237657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237657

0 1
O 0.944944 1.809549 0.503083
O -3.433543 -0.151658 0.438777
O 2.898740 0.918795 -0.118202
O -2.139569 0.464920 -1.278034
N 1.586916 -1.063657 -1.723650
C 0.037031 -1.062826 0.205589
C 0.804688 -0.188030 -0.828212
C -1.119740 -0.265781 0.839477
C 0.954296 -1.607162 1.299907
C 1.692695 0.848884 -0.137619
C -2.201861 0.057911 -0.140943
H -0.391997 -1.929468 -0.367828
H 0.040522 0.369400 -1.458770
H -1.540835 -0.823117 1.706423
H -0.737028 0.694647 1.270804
H 1.799346 -2.164988 0.875840
H 1.370719 -0.816186 1.934845
H 0.420756 -2.303504 1.959320
H 2.367457 -1.498468 -1.236139
H 1.969883 -0.540529 -2.507419
H 1.505994 2.513494 0.928618
H -4.189412 0.070677 -0.168867


%chk=000237657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237657

0 1
O 0.617075 1.994437 0.160635
O -3.265035 0.622965 0.632535
O 2.721427 1.020503 0.224323
O -2.260280 -0.134437 -1.313356
N 1.824875 -1.021486 -1.584754
C 0.066720 -1.148281 0.189126
C 0.844825 -0.231057 -0.828094
C -1.125401 -0.445806 0.877460
C 1.006522 -1.773498 1.242559
C 1.517176 0.949728 -0.110460
C -2.219978 0.004076 -0.069654
H -0.324109 -1.955641 -0.458789
H 0.089793 0.171556 -1.524478
H -1.589858 -1.134721 1.609960
H -0.801857 0.437695 1.457736
H 1.831250 -2.319526 0.752993
H 1.447024 -1.010339 1.911658
H 0.457589 -2.498324 1.871507
H 2.724633 -1.121912 -1.102500
H 1.946177 -0.714407 -2.553489
H 1.098115 2.733200 0.626298
H -3.966680 0.908179 -0.014216


