%chk=000093951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000093951

1 1
O 5.503726 1.439655 -0.363140
O -2.975192 -3.456678 -0.093911
O -0.733785 -3.554664 -0.098182
N 0.609131 -1.210248 -0.105687
N -4.379942 1.303494 -0.186496
N -4.860869 1.977331 0.930776
N -5.118414 2.816020 1.629606
C -0.594953 -0.612833 -0.048310
C -1.820274 -1.401203 -0.059756
C 1.869647 -0.495039 -0.126212
C -0.729392 0.830343 0.029537
C -3.050375 -0.776119 -0.044085
C -3.152839 0.640661 -0.033984
C -1.947890 1.430816 0.043616
C 2.734859 -0.617250 0.971896
C 2.233742 0.253103 -1.267273
C 4.335818 0.764488 -0.188347
C 3.975410 0.016320 0.945985
C 3.462303 0.886943 -1.300325
C -1.739815 -2.872102 -0.086209
C 6.510030 1.373271 0.684221
H 0.687820 -2.255658 -0.134876
H 0.187941 1.429837 0.082029
H -3.962619 -1.392892 -0.049492
H -2.035713 2.521408 0.091540
H 2.445484 -1.205983 1.845646
H 1.556291 0.322516 -2.120787
H 4.649722 -0.079235 1.795163
H 3.785403 1.470645 -2.164979
H -5.134904 0.699715 -0.602931
H 7.313775 1.987612 0.249854
H 6.843833 0.341383 0.826882
H 6.130414 1.822111 1.606069
H -2.919572 -4.462169 -0.114739


%chk=000093951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093951

1 1
O 5.909055 1.057066 -0.551320
O -2.895880 -2.939861 0.709243
O -0.596107 -2.877096 0.941259
N 0.629504 -0.623849 0.344786
N -4.355365 1.769227 -0.429135
N -6.894364 -0.208510 -0.192912
N -7.936573 -0.675862 -0.164039
C -0.580256 -0.020600 0.186977
C -1.796947 -0.842933 0.321106
C 1.941942 -0.158300 0.108649
C -0.729290 1.399577 -0.067187
C -3.040574 -0.272772 0.114171
C -3.197064 1.154268 -0.203660
C -1.972919 1.961529 -0.244533
C 2.986528 -0.797787 0.840329
C 2.272327 0.838456 -0.862147
C 4.641679 0.599987 -0.281369
C 4.323323 -0.419893 0.663339
C 3.604350 1.207959 -1.052474
C -1.687391 -2.289561 0.677675
C 7.063201 0.481262 0.174108
H 0.543989 -1.618831 0.680211
H 0.156913 2.036861 -0.055175
H -3.935994 -0.898775 0.193066
H -2.101496 3.036550 -0.402072
H 2.738796 -1.578093 1.569024
H 1.505656 1.267681 -1.511947
H 5.103942 -0.910871 1.249600
H 3.885378 1.947141 -1.807533
H -5.178658 1.128092 -0.364773
H 7.934558 1.019328 -0.220899
H 7.155345 -0.598607 -0.039175
H 6.966786 0.660042 1.259925
H -2.785594 -3.897227 0.959982


