%chk=000043714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043714

0 1
 S    1.159000      -1.278800      0.7841000    
 N    3.022600      0.1912000     -0.2783000    
 N   0.7202000      0.8265000     -0.7932000    
 C   -1.289500      0.9596000      0.5670000    
 C  -0.6051000      0.4382000     -0.5271000    
 C   -3.227900     -0.3525000     -3.2000002E-02
 C   -2.603800      0.5634000      0.8151000    
 C   -1.223700     -0.4762000      -1.375100    
 C    1.636500      0.1091000     -0.2416000    
 C   -2.537900     -0.8722000      -1.126900    
 C  -0.6419000       1.941000       1.488300    
 C   -4.633000     -0.7768000      0.2325000    
 C    3.650700     -0.8087000      0.4450000    
 C    3.735400       1.205600      -1.030100    
 C    2.838400      -1.669400       1.072200    
 H   -3.143900      0.9631000       1.670200    
 H  -0.6957000     -0.8850000      -2.232600    
 H   -3.012500      -1.587500      -1.793500    
 H  -0.1163000       2.720200      0.9262000    
 H   -1.381900       2.452400       2.113800    
 H   6.6100001E-02   1.437300       2.153300    
 H    4.730900     -0.8301000      0.4600000    
 H   -5.211700      3.6400001E-02  0.6838000    
 H   -5.144200      -1.056600     -0.6949000    
 H   -4.644500      -1.635400      0.9111000    
 H    4.788300       1.264200     -0.7337000    
 H    3.289500       2.192000     -0.8648000    
 H    3.692700      0.9802000      -2.100500    
 H    3.152400      -2.505300       1.679900    


%chk=000043714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043714

0 1
S 1.677292 -1.416917 1.378331
N 3.106734 0.161643 -0.241920
N 0.784034 0.396120 -0.682190
C -1.281982 0.736697 0.665208
C -0.601600 0.176783 -0.462869
C -3.421916 -0.214741 -0.173787
C -2.677492 0.526011 0.778268
C -1.340564 -0.540607 -1.439304
C 1.753697 -0.132071 -0.010026
C -2.728073 -0.738830 -1.293668
C -0.537280 1.566482 1.694838
C -4.912715 -0.447814 0.006285
C 4.033867 -0.534842 0.552916
C 3.467419 1.127657 -1.290980
C 3.492341 -1.400932 1.459901
H -3.201192 0.960756 1.640178
H -0.807315 -0.932761 -2.311650
H -3.277191 -1.302005 -2.058255
H 0.133763 2.296470 1.205570
H -1.241532 2.118405 2.340824
H 0.097245 0.937189 2.348416
H 5.096829 -0.345696 0.403557
H -5.395657 0.396481 0.530288
H -5.421092 -0.581289 -0.965225
H -5.106619 -1.358996 0.605964
H 4.556530 1.292867 -1.270897
H 2.942367 2.082797 -1.120699
H 3.165559 0.749956 -2.283715
H 4.013746 -2.032912 2.172840


