%chk=000003916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003916

0 1
 S  -0.8802000       1.938200       1.822600    
 O    4.224900      0.9006000      -1.015800    
 N  -0.5824000      0.2142000     -0.7469000    
 N   5.2499998E-02  -3.675400      0.9888000    
 C   0.1325000      -2.161300     -0.9836000    
 C  -0.4612000     -0.9197000      -1.672300    
 C  -0.6187000      -2.582000      0.2941000    
 C   0.2139000      -3.346000      -1.953200    
 C   0.6175000      0.7741000     -0.2397000    
 C   -1.886000      0.7061000     -0.4842000    
 C   0.6086000       1.593800      0.9062000    
 C   -2.142900       1.518800      0.6378000    
 C    1.863500      0.5704000     -0.8721000    
 C   -2.973500      0.4389000      -1.344400    
 C  -0.6732000      -4.032100       2.208900    
 C    1.434100      -3.311900       1.307100    
 C    1.800400       2.153600       1.400100    
 C   -3.436100       2.010500      0.8894000    
 C    3.044300       1.133200     -0.3799000    
 C   -4.255700      0.9343000      -1.092300    
 C    3.013100       1.923200      0.7593000    
 C   -4.488000       1.718400      2.7300000E-02
 C    5.392800       1.500200     -0.4570000    
 H    1.163800      -1.908900     -0.7313000    
 H   0.1117000     -0.6380000      -2.564500    
 H   -1.411800      -1.271700      -2.075300    
 H   -1.636300      -2.888800      1.8999999E-02
 H  -0.7202000      -1.725900      0.9721000    
 H   0.7616000      -4.192800      -1.528600    
 H   0.7357000      -3.053000      -2.871000    
 H  -0.7855000      -3.694700      -2.235400    
 H    1.950900     -1.5799999E-02  -1.782900    
 H   -2.870200     -0.1054000      -2.277100    
 H  -0.2072000      -4.895900       2.696100    
 H   -1.702300      -4.325200       1.972700    
 H  -0.7059000      -3.205600       2.928100    
 H    2.082300      -3.333200      0.4261000    
 H    1.873800      -4.050900       1.988700    
 H    1.510200      -2.332200       1.793500    
 H    1.794700       2.776900       2.292300    
 H   -3.637700       2.629300       1.761600    
 H   -5.066400      0.7171000      -1.781900    
 H    3.887000       2.389600       1.200200    
 H   -5.481900       2.106900      0.2270000    
 H    5.599100       1.118400      0.5488000    
 H    5.335100       2.593600     -0.4821000    
 H    6.238800       1.210200      -1.088600    


%chk=000003916-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003916

0 1
S -0.876875 1.528582 2.098229
O 4.076032 1.052482 -1.333556
N -0.622234 0.100163 -0.587189
N 0.193100 -3.841590 1.134318
C 0.207471 -2.281698 -0.854919
C -0.549263 -1.079981 -1.482712
C -0.586574 -2.851431 0.347858
C 0.452713 -3.369083 -1.922843
C 0.589173 0.726971 -0.167190
C -1.862471 0.795711 -0.431372
C 0.615777 1.502333 1.028398
C -2.120249 1.552293 0.746791
C 1.778484 0.623562 -0.926358
C -2.864595 0.774290 -1.440176
C -0.676021 -4.747594 1.913783
C 1.216367 -3.208200 1.994141
C 1.787572 2.164980 1.427844
C -3.329862 2.253686 0.915946
C 2.967254 1.258395 -0.494426
C -4.093258 1.444719 -1.254357
C 2.985245 2.041289 0.684164
C -4.334423 2.187266 -0.077434
C 5.330310 1.712177 -0.966361
H 1.189831 -1.925244 -0.492742
H -0.092300 -0.821400 -2.461999
H -1.584960 -1.401684 -1.688978
H -1.485857 -3.367551 -0.044960
H -0.944296 -2.008691 0.990678
H 0.882859 -4.262873 -1.439233
H 1.148596 -3.022051 -2.709780
H -0.495654 -3.667795 -2.412464
H 1.812733 0.062650 -1.863479
H -2.679909 0.247988 -2.381535
H -0.056782 -5.513048 2.416148
H -1.377808 -5.266538 1.236642
H -1.277271 -4.223676 2.700516
H 1.910801 -2.602424 1.387688
H 1.807678 -3.991614 2.501630
H 0.774211 -2.540278 2.776565
H 1.776201 2.768360 2.341592
H -3.488538 2.837260 1.829072
H -4.852906 1.400560 -2.042506
H 3.891738 2.544987 1.029097
H -5.282485 2.715712 0.065151
H 5.699551 1.359527 0.016557
H 5.215491 2.813586 -0.945367
H 6.044903 1.429016 -1.753172


