%chk=000052855.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052855

0 1
 S   -2.914100      -1.233700      0.5449000    
 S   -3.305300      0.4443000     -0.5531000    
 O    1.470700      -2.114500     -0.1242000    
 N    1.774900       1.497600      7.1699999E-02
 C  -0.2704000     -0.4495000     -7.3000002E-03
 C  -0.6012000      0.9203000      3.4299999E-02
 C   -1.267100      -1.586300     -9.9399999E-02
 C   -1.996400       1.495200      0.1056000    
 C    1.087900     -0.8085000     -3.9400000E-02
 C    2.053500      0.1833000      4.4999998E-03
 C   0.4642000       1.827000      8.7800004E-02
 C    3.503200     -0.1750000     -2.5300000E-02
 H   -1.350700      -1.911000      -1.143100    
 H  -0.9095000      -2.442800      0.4825000    
 H   -2.229500       1.748000       1.146500    
 H   -2.032900       2.427200     -0.4700000    
 H   0.2792000       2.896400      0.1496000    
 H    3.768600     -0.7995000      0.8339000    
 H    3.757700     -0.6937000     -0.9552000    
 H    4.124900      0.7260000      2.4400000E-02
 H    2.434900      -2.209600     -0.1408000    


%chk=000052855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052855

0 1
S -3.018585 -1.291666 0.529440
S -3.343013 0.549030 -0.773303
O 1.399193 -2.159365 -0.094893
N 1.788094 1.530090 0.023271
C -0.288243 -0.447277 0.005057
C -0.605178 0.941288 0.051070
C -1.265681 -1.609324 -0.077918
C -2.005913 1.520925 0.147208
C 1.092251 -0.787090 -0.032218
C 2.109611 0.205047 -0.013470
C 0.471252 1.868730 0.049285
C 3.577516 -0.169948 -0.042906
H -1.335423 -1.966510 -1.119814
H -0.897788 -2.453280 0.532156
H -2.343750 1.576858 1.195867
H -2.028453 2.538967 -0.281136
H 0.260329 2.944837 0.072305
H 3.871878 -0.791540 0.827021
H 3.854369 -0.715365 -0.967695
H 4.171516 0.755889 -0.009478
H 2.378618 -2.299095 -0.091949


