%chk=000003109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003109

0 1
 S  -0.7038000      -2.056000      0.6276000    
 S   0.5312000      -1.879300      -1.008000    
 O  -0.6007000      0.8091000       1.488700    
 O    1.274600      0.8210000      -2.064700    
 N   -1.648700      0.5271000      0.8171000    
 N    1.958200      0.4794000      -1.042400    
 C   -1.882500     -0.7443000      0.3299000    
 C    1.762600     -0.7358000     -0.4098000    
 C   -3.030600      -1.033400     -0.4003000    
 C    2.520200      -1.088200      0.7051000    
 C   -2.576700       1.520200      0.5692000    
 C    2.917900       1.345300     -0.5546000    
 C   -3.958200     -2.6400000E-02 -0.6439000    
 C    3.483700     -0.2092000       1.187600    
 C   -3.732700       1.256900     -0.1583000    
 C    3.685500       1.013500      0.5569000    
 H   -3.220700      -2.031300     -0.7864000    
 H    2.387800      -2.042900       1.207200    
 H   -2.331100       2.489500      0.9781000    
 H    3.015500       2.274300      -1.097300    
 H   -4.857800     -0.2417000      -1.213000    
 H    4.079800     -0.4781000       2.054600    
 H   -4.452100       2.047900     -0.3448000    
 H    4.436000       1.704300      0.9278000    


%chk=000003109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003109

0 1
S -1.057970 -1.977369 1.031336
S 0.727474 -2.183429 -0.561435
O -0.681597 1.006025 1.272728
O 0.633827 0.773608 -1.146021
N -1.788941 0.663827 0.638799
N 1.727553 0.396749 -0.506493
C -2.107877 -0.692966 0.368654
C 1.918220 -0.942846 -0.077870
C -3.274162 -0.993818 -0.372778
C 3.071877 -1.270992 0.671553
C -2.652737 1.663548 0.188521
C 2.705893 1.347069 -0.210271
C -4.144577 0.015411 -0.820774
C 4.056190 -0.311482 0.967526
C -3.811949 1.363399 -0.525755
C 3.853880 1.016419 0.508980
H -3.472052 -2.048682 -0.580695
H 3.167813 -2.306536 1.008424
H -2.320541 2.672935 0.433791
H 2.470187 2.347589 -0.574622
H -5.045596 -0.232727 -1.387396
H 4.946334 -0.581016 1.541542
H -4.445243 2.190834 -0.859311
H 4.581395 1.806347 0.717866


