%chk=000077971.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077971

0 1
 S   1.9999999E-04 -0.8137000      0.1677000    
 N  -0.6916000       1.601000     -0.3380000    
 N   0.6924000       1.601500     -0.3369000    
 N    5.291800     -0.5971000      0.1280000    
 C   -2.578100      6.3400000E-02 -1.5200000E-02
 C   -1.178400      0.4050000     -8.8500001E-02
 C    2.578800      6.4199999E-02 -1.3400000E-02
 C    1.180100      0.4052000     -8.6099997E-02
 C   -3.530100       1.060600      0.1972000    
 C   -2.979300      -1.265000     -0.1559000    
 C    3.529600       1.056600      0.2002000    
 C    2.983900      -1.258500     -0.1563000    
 C   -4.883200      0.7293000      0.2691000    
 C   -4.332300      -1.596400     -8.4100001E-02
 C   -5.284200     -0.5992000      0.1284000    
 C    4.860900      0.6774000      0.2622000    
 C    4.339500      -1.534300     -7.8400001E-02
 H   -3.241200       2.102500      0.3129000    
 H   -2.291500      -2.083000     -0.3477000    
 H    3.260200       2.100900      0.3202000    
 H    2.312800      -2.087900     -0.3478000    
 H   -5.624600       1.505500      0.4349000    
 H   -4.646200      -2.629900     -0.1992000    
 H   -6.337900     -0.8570000      0.1830000    
 H    5.640900       1.413200      0.4278000    
 H    4.707900      -2.549000     -0.1890000    


%chk=000077971-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077971

0 1
S 0.008357 -1.131057 -0.087241
N -0.696658 1.431419 0.191982
N 0.692911 1.435582 0.187580
N 5.523195 -0.406547 -0.030812
C -2.684391 -0.040100 0.041443
C -1.242179 0.213160 0.062849
C 2.688653 -0.015537 0.022883
C 1.242870 0.222385 0.053832
C -3.578024 1.063171 0.166752
C -3.216592 -1.350764 -0.101083
C 3.584439 1.084730 0.135154
C 3.248600 -1.313017 -0.115818
C -4.969517 0.851658 0.148349
C -4.611099 -1.555468 -0.119000
C -5.492895 -0.456254 0.005290
C 4.971610 0.839726 0.103433
C 4.652562 -1.454736 -0.137477
H -3.159176 2.067959 0.276503
H -2.543020 -2.210582 -0.198086
H 3.188760 2.097975 0.243877
H 2.612175 -2.200031 -0.205742
H -5.648661 1.705339 0.245198
H -5.009689 -2.569371 -0.229545
H -6.576302 -0.616927 -0.008885
H 5.684499 1.667107 0.187829
H 5.109970 -2.444520 -0.244165


