%chk=000048202.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048202

0 1
 S    1.158200     -0.3316000       1.134600    
 O  -0.5716000       1.552100      -1.586200    
 N  -0.4904000       2.260600      0.5801000    
 C  -0.4052000     -0.1599000      0.1632000    
 C   -1.604400     -0.4663000       1.102700    
 C  -0.4012000      -1.198900     -0.9914000    
 C  -0.4973000       1.278400     -0.3890000    
 C   -2.992900     -0.3268000      0.4812000    
 C  -0.2350000      -2.660400     -0.5807000    
 C    2.303100      5.5300001E-02 -0.2032000    
 C    3.736800     -2.4000001E-03  0.2888000    
 H   -1.520600      -1.469300       1.537800    
 H   -1.579600      0.2166000       1.962900    
 H   -1.343600      -1.117500      -1.549000    
 H   0.3492000     -0.9543000      -1.750900    
 H   -3.758200     -0.4632000       1.252600    
 H   -3.141100      0.6624000      3.8800001E-02
 H   -3.169400      -1.084100     -0.2875000    
 H  -0.2673000      -3.290900      -1.476600    
 H   0.7230000      -2.854900     -9.2299998E-02
 H   -1.041700      -3.001100      7.3100001E-02
 H    2.221900     -0.6720000      -1.012800    
 H    2.113000       1.055100     -0.6027000    
 H  -0.5511000       3.241300      0.3272000    
 H  -0.3941000       2.051000       1.568100    
 H    3.917800      0.7263000       1.086400    
 H    3.995200     -0.9992000      0.6625000    
 H    4.423600      0.2302000     -0.5321000    


%chk=000048202-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048202

0 1
S 1.157220 -0.397422 1.116505
O -1.282596 1.525395 -1.473294
N -0.144900 2.244763 0.416496
C -0.486995 -0.206184 0.100732
C -1.603194 -0.498220 1.157576
C -0.506719 -1.177994 -1.105737
C -0.653714 1.258166 -0.403664
C -3.039671 -0.445684 0.590769
C -0.471278 -2.674056 -0.739687
C 2.468721 0.010823 -0.198112
C 3.827520 0.201687 0.492728
H -1.411447 -1.496197 1.595091
H -1.505082 0.233493 1.982799
H -1.409635 -0.943282 -1.698869
H 0.343396 -0.933733 -1.770925
H -3.768992 -0.603430 1.405988
H -3.255722 0.527398 0.116916
H -3.207255 -1.231254 -0.167274
H -0.390128 -3.287760 -1.655245
H 0.392695 -2.904915 -0.089924
H -1.388559 -2.990296 -0.210466
H 2.502647 -0.822036 -0.919621
H 2.147879 0.929809 -0.718578
H -0.298651 3.220576 0.164994
H 0.424289 1.984647 1.226582
H 3.800856 1.043810 1.206877
H 4.128987 -0.706651 1.044570
H 4.607426 0.415048 -0.261626


