%chk=000267016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267016

0 1
O 3.389913 -1.507743 1.218538
O -3.399221 -1.510244 -1.194192
O 2.586232 3.042406 0.252238
O -2.587944 3.049176 -0.275470
N 2.033019 0.369152 -0.188015
N -2.039949 0.379565 0.193164
N 1.323937 1.383827 -0.778146
N -1.327554 1.399068 0.770805
C 2.495347 -2.004887 0.180260
C -2.507576 -1.997369 -0.148686
C 3.286176 -2.779651 -0.889920
C -3.302104 -2.755399 0.930693
C 4.404899 -1.906817 -1.479194
C -4.418640 -1.871350 1.507240
C 1.542622 -2.890708 0.984714
C -1.557506 -2.897095 -0.940814
C 1.718963 -0.858936 -0.466589
C -1.727408 -0.846079 0.483958
C 5.142955 -1.177221 -0.399839
C -5.153285 -1.153720 0.417595
C 4.615913 -1.010796 0.819260
C -4.624214 -1.004540 -0.802848
C 0.003084 4.577134 -0.022925
C 0.701202 3.729314 -1.094191
C -0.698495 3.746377 1.059382
C 1.658726 2.738101 -0.455317
C -1.659727 2.750445 0.433527
H 3.734259 -3.680078 -0.422931
H 2.615029 -3.146292 -1.684841
H -2.632950 -3.113628 1.731122
H -3.752582 -3.660471 0.475141
H 5.103120 -2.538740 -2.062949
H 3.982089 -1.169874 -2.194504
H -5.119406 -2.493282 2.098611
H -3.994177 -1.126309 2.213143
H 2.059367 -3.781921 1.363978
H 1.176746 -2.350956 1.869619
H 0.676276 -3.221299 0.392301
H -0.692943 -3.223341 -0.343413
H -2.077346 -3.791143 -1.309037
H -1.188819 -2.370219 -1.832265
H 0.931967 -1.200449 -1.152403
H -0.939278 -1.181701 1.171366
H 6.114383 -0.774403 -0.662970
H -6.123835 -0.744665 0.674269
H 5.044281 -0.506513 1.679301
H -5.049968 -0.510036 -1.669828
H 0.746351 5.243475 0.465711
H -0.737407 5.240088 -0.520275
H 1.289236 4.391961 -1.767682
H -0.056910 3.253034 -1.749632
H -1.284119 4.420181 1.723833
H 0.057635 3.275953 1.721305
H 0.534289 1.188098 -1.410801
H -0.536651 1.208519 1.403500


%chk=000267016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267016

0 1
O 3.598216 -1.945728 0.840172
O -3.623053 -1.946156 -0.805985
O 2.170815 2.783932 0.998272
O -2.133090 2.758863 -1.044848
N 2.384033 0.270870 -0.293167
N -2.384609 0.273991 0.292428
N 1.741437 1.377410 -0.837270
N -1.738270 1.385000 0.822648
C 3.061781 -2.108660 -0.532858
C -3.082226 -2.095938 0.566837
C 4.207108 -2.505044 -1.511877
C -4.225197 -2.479700 1.553196
C 5.335341 -1.446343 -1.516233
C -5.349309 -1.416484 1.552003
C 2.003089 -3.221304 -0.409976
C -2.025846 -3.211659 0.451659
C 2.398940 -0.819034 -1.011069
C -2.415620 -0.802593 1.029588
C 5.688206 -1.056567 -0.094674
C -5.704430 -1.036568 0.128248
C 4.853186 -1.316445 0.943756
C -4.874713 -1.310546 -0.910917
C 0.006884 4.538675 -0.027469
C 0.938471 3.691093 -0.931063
C -0.919466 3.694055 0.883623
C 1.679298 2.601403 -0.146132
C -1.657559 2.594930 0.109097
H 4.608983 -3.478811 -1.173833
H 3.791509 -2.649172 -2.527211
H -3.806786 -2.616552 2.568390
H -4.631867 -3.454809 1.225054
H 6.223122 -1.853825 -2.037156
H 5.019992 -0.552427 -2.095364
H -6.237442 -1.816180 2.078347
H -5.028974 -0.519331 2.123448
H 2.488218 -4.165896 -0.109548
H 1.260977 -2.948138 0.358987
H 1.480411 -3.379892 -1.370457
H -1.498896 -3.360046 1.411434
H -2.513644 -4.158930 0.164218
H -1.287086 -2.948008 -0.323798
H 1.933999 -0.894766 -2.018941
H -1.960809 -0.864163 2.043063
H 6.633451 -0.544717 0.110566
H -6.647473 -0.521094 -0.078139
H 5.064622 -1.072684 1.987787
H -5.088650 -1.074998 -1.956323
H 0.615232 5.192390 0.622407
H -0.605131 5.182931 -0.683282
H 1.698117 4.356705 -1.385363
H 0.346427 3.256122 -1.757470
H -1.680745 4.359774 1.335316
H -0.324443 3.267303 1.712384
H 1.260757 1.307335 -1.747958
H -1.269286 1.328425 1.740351


