%chk=000051080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051080

0 1
 S    2.350000      3.9000001E-02 -0.9906000    
 N  -0.7365000      -2.033400      0.2362000    
 C  -0.3868000      0.1124000     -0.2638000    
 C   -1.348900     -0.8023000      0.1693000    
 C   0.8229000     -0.6125000     -0.4541000    
 C   0.5762000      -1.928800     -0.1385000    
 C  -0.7565000       1.463200     -0.4190000    
 C   -2.667800     -0.4323000      0.4561000    
 C   -2.072100       1.847800     -0.1360000    
 C   -3.011500      0.9129000      0.2948000    
 C    3.011400      0.4404000      0.5534000    
 C    4.219600      0.9937000      0.6923000    
 H   -1.190800      -2.890100      0.5210000    
 H    1.212500      -2.803300     -0.1451000    
 H  -3.9299998E-02   2.207500     -0.7534000    
 H   -3.399700      -1.159400      0.7915000    
 H   -2.363100       2.888300     -0.2539000    
 H   -4.027800       1.233500      0.5092000    
 H    2.431300      0.2404000       1.449500    
 H    4.599700       1.231600       1.680400    
 H    4.854800       1.222300     -0.1572000    


%chk=000051080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051080

0 1
S 2.466171 -0.265792 -0.942204
N -0.903460 -2.182804 0.158722
C -0.357590 0.010501 -0.209973
C -1.430120 -0.881555 0.147018
C 0.823738 -0.811532 -0.395505
C 0.456895 -2.137730 -0.166007
C -0.614790 1.402278 -0.308057
C -2.738223 -0.419247 0.411403
C -1.917520 1.867766 -0.047064
C -2.966468 0.968070 0.310167
C 3.070877 0.551453 0.587086
C 4.209528 1.283398 0.641725
H -1.429873 -3.028714 0.366529
H 1.067063 -3.036766 -0.213571
H 0.189571 2.091740 -0.585939
H -3.548549 -1.104655 0.684183
H -2.136908 2.938729 -0.118863
H -3.968885 1.363814 0.507830
H 2.429497 0.377422 1.458417
H 4.532773 1.725501 1.590194
H 4.843871 1.459023 -0.233990


