%chk=000046431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046431

0 1
 S   0.1119000      -1.432500       1.321400    
 O    1.468200      0.5027000      -1.569900    
 N    2.096600      0.8642000      0.5926000    
 C  -0.1683000      5.0000002E-04  0.1877000    
 C  -0.8555000       1.138000      0.9928000    
 C   -1.118500     -0.4393000     -0.9597000    
 C    1.191000      0.4711000     -0.3715000    
 C   -1.124600       2.431400      0.2257000    
 C   -2.472900      -1.001600     -0.5333000    
 C   0.8722000      -2.534700      0.1143000    
 H   -1.799600      0.7961000       1.433500    
 H  -0.2265000       1.411300       1.851100    
 H   -1.302400      0.4129000      -1.626800    
 H  -0.6282000      -1.169600      -1.614500    
 H   -1.517500       3.191600      0.9094000    
 H  -0.2123000       2.831400     -0.2259000    
 H   -1.870000       2.286500     -0.5610000    
 H   -3.049300      -1.266100      -1.427100    
 H   -2.383900      -1.911300      6.5600000E-02
 H   -3.067600     -0.2705000      2.0000000E-02
 H    1.706200      -2.074000     -0.4186000    
 H   0.1372000      -2.924000     -0.5936000    
 H    1.275400      -3.396600      0.6552000    
 H    3.020000       1.195800      0.3344000    
 H    1.894000      0.8104000       1.585200    


%chk=000046431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046431

0 1
S 0.144567 -1.369569 1.400290
O 1.213261 1.181194 -1.557398
N 2.225501 0.611465 0.451000
C -0.193336 0.076655 0.146742
C -0.875238 1.167163 1.037393
C -1.078047 -0.405571 -1.028271
C 1.145259 0.649950 -0.406655
C -1.296613 2.439576 0.268160
C -2.488922 -0.883925 -0.634899
C 0.964000 -2.646454 0.282834
H -1.761504 0.712407 1.519007
H -0.178347 1.443800 1.852149
H -1.138052 0.428008 -1.751912
H -0.544204 -1.212332 -1.566404
H -1.717160 3.179711 0.972971
H -0.440979 2.904031 -0.251717
H -2.069459 2.220429 -0.489815
H -3.015502 -1.280647 -1.521921
H -2.444456 -1.683329 0.127252
H -3.103218 -0.060978 -0.226545
H 1.803696 -2.190296 -0.265563
H 0.231277 -3.074617 -0.417154
H 1.343130 -3.436890 0.949769
H 3.100495 1.044682 0.158042
H 2.149450 0.109234 1.339643


