%chk=000186282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186282

0 1
O 2.171744 1.111664 1.300605
N -2.789341 0.633956 -0.043080
N -3.555737 -1.549520 0.097491
N -0.331637 0.164122 -0.018778
N 1.935762 -0.663689 -0.081779
N 2.586326 0.290883 0.483495
C -3.932442 -0.251272 0.015417
C -1.648728 -0.191562 0.007193
C -2.156600 -1.545312 0.095689
C -5.246491 0.356967 -0.020430
C -2.910472 2.026598 -0.124443
C -5.336313 1.719389 -0.103731
C -1.212538 -2.594259 0.163425
C -4.168342 2.556812 -0.155013
C -6.424425 -0.549437 0.037360
C 0.527501 -0.880329 0.052399
C 0.125202 -2.258492 0.142910
C 4.025124 0.353553 0.130820
C 4.536233 -0.316879 -0.990348
C 4.856441 1.126683 0.960229
C 5.900555 -0.211078 -1.275115
C 6.215162 1.219742 0.660459
C 6.737167 0.551947 -0.454492
H -1.979892 2.603272 -0.156133
H -6.309364 2.211162 -0.132600
H -1.553639 -3.627861 0.231270
H -4.309759 3.635345 -0.218086
H -7.381024 -0.015323 0.004306
H -6.408625 -1.158065 0.957551
H -6.409778 -1.269301 -0.798576
H 0.900318 -3.024176 0.189417
H 3.879700 -0.914159 -1.631355
H 4.430355 1.649329 1.823992
H 6.310538 -0.727606 -2.143428
H 6.870185 1.815523 1.296575
H 7.800829 0.628871 -0.683819


%chk=000186282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186282

0 1
O 1.950063 1.631842 0.231698
N -2.782696 0.601980 0.130189
N -3.584867 -1.555489 -0.215199
N -0.373419 0.160259 0.009318
N 1.923706 -0.708394 -0.182974
N 2.513144 0.466877 0.011824
C -3.930060 -0.250785 0.010019
C -1.655112 -0.229205 -0.030969
C -2.192538 -1.551110 -0.242030
C -5.231151 0.336697 0.133243
C -2.861101 1.964755 0.358611
C -5.298987 1.716065 0.364179
C -1.240753 -2.588890 -0.435627
C -4.119613 2.532889 0.477375
C -6.441665 -0.556449 0.008301
C 0.527944 -0.859879 -0.179739
C 0.112633 -2.228771 -0.402453
C 3.992546 0.424251 -0.030390
C 4.680895 -0.787823 -0.266557
C 4.682192 1.639286 0.173270
C 6.090909 -0.772996 -0.297767
C 6.092843 1.637046 0.139500
C 6.800648 0.435113 -0.095449
H -1.910616 2.498269 0.428969
H -6.282103 2.189183 0.462258
H -1.557478 -3.621722 -0.603395
H -4.204594 3.607035 0.657970
H -7.376249 0.018084 0.121455
H -6.417766 -1.355537 0.771364
H -6.451154 -1.066706 -0.971980
H 0.902547 -2.970680 -0.543536
H 4.109611 -1.705362 -0.419077
H 4.106180 2.550623 0.351485
H 6.636077 -1.705310 -0.480059
H 6.638217 2.573675 0.296511
H 7.895765 0.438677 -0.120940


