%chk=000060825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060825

0 1
 S   -3.104900      -1.208600     -0.8358000    
 O   -1.584400      0.2040000      0.8145000    
 O   -3.419700       1.818900     -0.5143000    
 O    1.565500      -2.355600      0.3684000    
 N   0.5818000     -0.2866000      0.1062000    
 N    2.956500     -0.5831000      9.4700001E-02
 N    4.376200       1.237600     -0.1846000    
 C  -0.7575000     -0.7937000      0.2047000    
 C   -1.338000      -1.111400      -1.165200    
 C   -2.951300     -0.2048000      0.6657000    
 C   -3.826500       1.032900      0.5942000    
 C   0.7451000       1.066400     -8.1200004E-02
 C    1.694000      -1.141800      0.1989000    
 C    1.950400       1.623100     -0.1826000    
 C    3.112800      0.7025000     -8.3600000E-02
 H  -0.7605000      -1.685400      0.8466000    
 H   -1.169500     -0.3028000      -1.883900    
 H  -0.9424000      -2.041000      -1.583400    
 H   -3.226300     -0.8142000       1.532900    
 H   -3.708600       1.644800       1.494600    
 H   -4.886000      0.7822000      0.4824000    
 H  -0.1347000       1.692000     -0.1741000    
 H    2.101400       2.682500     -0.3411000    
 H   -2.481900       2.042300     -0.3881000    
 H    4.530100       2.231000     -0.3228000    
 H    5.198200      0.6467000     -0.1225000    


%chk=000060825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060825

0 1
S -3.241553 -1.084427 -1.101891
O -1.614460 0.216257 0.680002
O -3.588114 2.091633 0.010660
O 1.419226 -2.167590 1.019384
N 0.604789 -0.230461 -0.047989
N 2.956710 -0.457440 0.534667
N 4.450555 1.242304 0.037838
C -0.744897 -0.781076 -0.001687
C -1.377017 -1.047560 -1.389273
C -2.993845 -0.244168 0.639517
C -3.896518 0.968620 0.884779
C 0.840128 1.020084 -0.584030
C 1.698531 -1.030633 0.551064
C 2.106438 1.563910 -0.593168
C 3.162824 0.764333 -0.001658
H -0.682689 -1.710110 0.594640
H -1.133856 -0.249422 -2.108412
H -1.052998 -2.024424 -1.778345
H -3.169368 -1.043791 1.382867
H -3.795020 1.257291 1.954083
H -4.947918 0.701274 0.690049
H -0.027991 1.556176 -0.977329
H 2.287046 2.555150 -1.012868
H -2.602358 2.205769 0.024870
H 4.700393 2.154160 -0.334897
H 5.161763 0.652039 0.467728


