%chk=000191126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191126

0 1
O 1.455642 -0.112920 0.066234
O -4.764261 -0.499099 0.145299
O -4.707605 1.630376 -0.593447
N 4.815546 1.153405 -0.344163
C 0.120169 0.172958 -0.044798
C -2.637719 0.452337 -0.166163
C 2.413597 0.933510 -0.288419
C -0.418320 1.395434 -0.473706
C -0.698437 -0.917983 0.326451
C -1.806091 1.523857 -0.530558
C -2.075332 -0.767822 0.262157
C 3.772233 0.319536 -0.063319
C -4.096633 0.641730 -0.244816
C 3.950912 -0.995502 0.395323
C -6.233672 -0.441024 0.112462
C 5.255328 -1.467220 0.570509
C 6.335131 -0.627054 0.287769
C 6.073108 0.677049 -0.167758
C -6.659966 -1.817758 0.573975
H 2.247512 1.807938 0.370644
H 2.262768 1.210799 -1.350000
H 0.212148 2.231559 -0.758215
H -0.237535 -1.847370 0.652981
H -2.258470 2.465346 -0.861220
H -2.738681 -1.592691 0.542475
H 3.084109 -1.623573 0.606175
H -6.550621 0.371480 0.788757
H -6.536296 -0.206661 -0.922722
H 5.425903 -2.484003 0.925412
H 7.358677 -0.970146 0.415817
H 6.886298 1.374294 -0.403121
H -7.752590 -1.907740 0.595157
H -6.267985 -2.601889 -0.088285
H -6.282066 -2.037653 1.581909


%chk=000191126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191126

0 1
O 1.504411 -0.253070 0.121065
O -4.870888 -0.528716 0.150014
O -4.676337 1.666464 -0.615211
N 4.832004 1.209168 -0.359364
C 0.137460 0.023880 0.011806
C -2.666485 0.366478 -0.138055
C 2.451189 0.810425 -0.238600
C -0.396188 1.265683 -0.422125
C -0.726845 -1.042954 0.370501
C -1.793253 1.424625 -0.493134
C -2.117146 -0.871895 0.295874
C 3.864192 0.292197 -0.050288
C -4.130725 0.597713 -0.235654
C 4.156270 -1.014947 0.401406
C -6.354625 -0.381545 0.081093
C 5.512308 -1.390446 0.539895
C 6.523135 -0.454440 0.224751
C 6.133681 0.830287 -0.220048
C -6.951265 -1.708101 0.540958
H 2.294066 1.700176 0.403592
H 2.305976 1.115008 -1.294530
H 0.255281 2.098142 -0.701626
H -0.285187 -1.987616 0.701309
H -2.230084 2.372147 -0.825499
H -2.791969 -1.687127 0.569739
H 3.338421 -1.701062 0.631242
H -6.651594 0.464134 0.727743
H -6.632144 -0.129253 -0.958565
H 5.773658 -2.395693 0.887290
H 7.583810 -0.707143 0.318724
H 6.882479 1.588704 -0.476008
H -8.054732 -1.652701 0.507245
H -6.625121 -2.535099 -0.112742
H -6.646953 -1.939922 1.575993


