%chk=000012042.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012042

0 1
 S   -1.074200      0.2153000      0.9452000    
 S   0.8536000       2.235300     -4.9400002E-02
 N    1.382900     -0.4736000      2.7000001E-03
 C   -2.006900     -1.7200001E-02 -0.5870000    
 C   0.5135000      0.6073000      0.2498000    
 C    2.722700     -0.2899000     -0.5607000    
 C    1.050500      -1.873700      0.2832000    
 C   -3.442000     -0.4036000     -0.2837000    
 H   -1.993900      0.9091000      -1.169800    
 H   -1.534000     -0.8012000      -1.186800    
 H    2.923600      0.7259000     -0.9001000    
 H    2.835400     -0.9632000      -1.416500    
 H    3.457700     -0.5542000      0.2059000    
 H   0.6296000      -2.312700     -0.6260000    
 H   0.3414000      -1.984600       1.104200    
 H    1.960000      -2.417600      0.5580000    
 H   -3.495800      -1.344500      0.2746000    
 H   -3.954900      0.3739000      0.2926000    
 H   -3.996200     -0.5420000      -1.218100    


%chk=000012042-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000012042

0 1
S -1.089603 -0.857391 0.064439
S 0.454968 1.423847 -1.418734
N 1.594460 -0.712254 -0.116381
C -2.408037 0.308775 -0.633875
C 0.467988 -0.026110 -0.509458
C 2.949089 -0.229815 -0.453975
C 1.521013 -1.963712 0.669616
C -3.791910 -0.237055 -0.254059
H -2.210591 1.306899 -0.212545
H -2.250849 0.357087 -1.722758
H 2.859607 0.701256 -1.033558
H 3.482940 -0.987450 -1.057751
H 3.524249 -0.032384 0.470085
H 0.945553 -2.738589 0.130114
H 1.039287 -1.792131 1.650320
H 2.543575 -2.335321 0.837812
H -3.964368 -1.243473 -0.674967
H -3.924611 -0.290581 0.841081
H -4.569762 0.437203 -0.657306


