%chk=000021622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021622

0 1
 S   -2.194800       1.252900     -0.1988000    
 O    1.746600      -1.691300      0.4450000    
 N   -1.108300      -1.056200      0.1743000    
 N   -3.465300      -1.067800      2.7200000E-02
 C  -7.6200001E-02 -0.1309000      0.1182000    
 C  -0.4755000       1.193900     -8.2099997E-02
 C    1.302000     -0.4115000      0.2435000    
 C   0.4530000       2.244400     -0.1617000    
 C    2.231800      0.6294000      0.1653000    
 C    1.810600       1.939400     -3.4699999E-02
 C   -2.258100     -0.4421000      2.1000000E-02
 C    2.034200      -2.460200     -0.7171000    
 H   0.1314000       3.269600     -0.3174000    
 H    3.293900      0.4189000      0.2625000    
 H    2.545600       2.738000     -9.2900001E-02
 H   -4.333000     -0.5565000     -9.5500000E-02
 H   -3.546200      -2.071400      0.1538000    
 H    1.137900      -2.574900      -1.335000    
 H    2.367900      -3.451900     -0.3994000    
 H    2.834300      -1.992700      -1.299700    


%chk=000021622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021622

0 1
S -2.180027 1.300195 -0.059002
O 2.242992 -1.446184 -0.229380
N -0.846120 -1.045480 -0.269251
N -3.222449 -1.282191 -0.354414
C 0.142597 -0.042332 -0.138866
C -0.356026 1.300172 -0.012029
C 1.557085 -0.233187 -0.121499
C 0.471958 2.425134 0.127071
C 2.398366 0.899336 0.019245
C 1.870049 2.201032 0.141054
C -2.063608 -0.548946 -0.248930
C 1.520231 -2.717770 -0.391764
H 0.061789 3.434145 0.221066
H 3.478328 0.724944 0.029770
H 2.552809 3.050329 0.247860
H -4.137380 -0.843080 -0.334704
H -3.148146 -2.291899 -0.454479
H 0.857205 -2.912425 0.467605
H 2.317495 -3.475444 -0.449351
H 0.914651 -2.717248 -1.313501


