%chk=000045161.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045161

0 1
 S    4.307500      0.6022000      0.4115000    
 O   0.4469000      0.2692000     -0.4307000    
 O    1.666500       1.963400      0.5448000    
 N    6.032500      -1.575000     -0.2316000    
 C   -2.197400      -1.099400     -0.1440000    
 C   -1.901100      0.2394000     -0.8706000    
 C   -4.177100     -6.4199999E-02 -8.6599998E-02
 C   -3.619300      -1.374700     -0.6507000    
 C   -3.271100      0.9808000     -0.7768000    
 C   -2.522000     -0.8339000       1.307900    
 C   -3.707500     -0.2078000       1.341400    
 C  -0.7368000       1.038100     -0.3037000    
 C    1.600200      0.8521000      3.8300000E-02
 C    2.749100     -0.1003000     -0.1788000    
 C    5.329500     -0.6900000      2.9600000E-02
 H   -1.486200      -1.907900     -0.3183000    
 H   -1.689300      1.4900000E-02  -1.925600    
 H   -5.251400      7.8400001E-02 -0.2060000    
 H   -4.075100      -2.270500     -0.2095000    
 H   -3.688000      -1.440400      -1.742500    
 H   -3.639300       1.204600      -1.784600    
 H   -3.212500       1.919200     -0.2143000    
 H   -1.888600      -1.053100       2.152300    
 H   -4.208200      0.1700000       2.218300    
 H  -0.9005000       1.298400      0.7483000    
 H  -0.6255000       1.968700     -0.8734000    
 H    2.830100     -0.3083000      -1.250400    
 H    2.540200      -1.025800      0.3670000    


%chk=000045161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045161

0 1
S 4.377920 0.671643 0.448682
O 0.466267 0.220387 -0.440569
O 1.720452 1.915428 0.568124
N 6.280640 -1.473712 -0.229611
C -2.250744 -1.146641 -0.134415
C -1.931932 0.221497 -0.873036
C -4.255918 -0.062698 -0.086014
C -3.694276 -1.395322 -0.676035
C -3.307094 0.985804 -0.794473
C -2.558825 -0.820024 1.332178
C -3.761207 -0.172653 1.361318
C -0.790613 1.035146 -0.277135
C 1.635166 0.790696 0.027964
C 2.794998 -0.163010 -0.218275
C 5.480519 -0.619966 0.032747
H -1.498554 -1.927735 -0.314523
H -1.684139 -0.007666 -1.926651
H -5.328875 0.139293 -0.221351
H -4.166014 -2.290054 -0.237283
H -3.748205 -1.443599 -1.779688
H -3.680932 1.237213 -1.802964
H -3.240549 1.924581 -0.215078
H -1.884368 -1.004302 2.172806
H -4.253717 0.279387 2.226693
H -0.936341 1.233645 0.799664
H -0.638424 1.996887 -0.800053
H 2.919600 -0.360934 -1.294025
H 2.640763 -1.115192 0.312299


