%chk=000052763.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052763

0 1
 S    4.737900     -0.2871000     -0.9032000    
 O   -1.594500      -1.181900       1.254000    
 N   -3.395300      0.5203000     -9.4499998E-02
 N   -5.519600      0.1477000      0.3433000    
 C   -1.999000      0.9046000      0.1195000    
 C   0.3061000     -0.2630000      0.2199000    
 C   -1.103500     -0.2555000      0.5772000    
 C   0.9891000      0.9413000      5.0000001E-02
 C   0.9753000      -1.474700      4.7200002E-02
 C    3.010300     -0.2777000     -0.4655000    
 C    2.341200      0.9339000     -0.2928000    
 C    2.327400      -1.481900     -0.2955000    
 C   -3.919600      7.4199997E-02  -1.260400    
 C   -4.373000      0.5531000      0.8424000    
 C    5.478800      0.5957000      0.4990000    
 C   -5.243700     -0.1529000     -0.9671000    
 C    6.982000      0.7039000      0.3264000    
 H   -1.643700       1.313700     -0.8324000    
 H   -1.984700       1.692800      0.8796000    
 H   0.4967000       1.899500      0.1903000    
 H   0.4589000      -2.423200      0.1710000    
 H    2.850700       1.884900     -0.4258000    
 H    2.832100      -2.436000     -0.4266000    
 H   -3.341900     -4.4799998E-02  -2.166400    
 H   -4.208300      0.8733000       1.862200    
 H    5.052500       1.600800      0.5735000    
 H    5.249000      5.7900000E-02   1.424500    
 H   -6.012200     -0.5176000      -1.632800    
 H    7.453100     -0.2838000      0.2771000    
 H    7.243600       1.260500     -0.5798000    
 H    7.417900       1.235700       1.178800    


%chk=000052763-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052763

0 1
S 4.955678 -0.747444 0.044117
O -1.821755 -1.686331 -0.466807
N -3.414164 0.581941 -0.033479
N -5.559539 0.547144 0.709312
C -1.962949 0.718146 -0.013163
C 0.291725 -0.568317 -0.149425
C -1.198251 -0.615274 -0.227046
C 1.025609 0.624732 0.093490
C 1.016405 -1.782732 -0.327182
C 3.141708 -0.603407 -0.019002
C 2.432505 0.612133 0.158065
C 2.416119 -1.804442 -0.262879
C -4.213937 0.251685 -1.136314
C -4.274782 0.743159 1.056200
C 5.520237 1.031972 0.379212
C -5.526888 0.238920 -0.662793
C 7.053362 1.044279 0.458971
H -1.637593 1.437940 -0.790436
H -1.669023 1.147765 0.962333
H 0.511217 1.581674 0.234263
H 0.448754 -2.700337 -0.513586
H 2.963061 1.549921 0.345439
H 2.955523 -2.748097 -0.400035
H -3.791080 0.031659 -2.112386
H -3.917595 1.001272 2.051098
H 5.156105 1.667248 -0.446064
H 5.066842 1.361526 1.329508
H -6.440101 0.023228 -1.212137
H 7.420299 0.398344 1.275676
H 7.510049 0.702094 -0.486142
H 7.406060 2.073298 0.654293


