%chk=000080610.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080610

0 1
 S   -3.247600      -1.630600      0.7746000    
 O   -3.317700      -1.627500       2.230100    
 O   -3.843600      -2.727100      2.4300000E-02
 O    6.964600     -0.4979000     -6.1500002E-02
 O    3.767600       2.862900      0.4809000    
 O    6.295800       2.051100      0.5807000    
 N    2.452000      -1.360500     -0.8982000    
 N    4.696400     -0.8874000     -0.4682000    
 N   -5.946200       3.394400     -0.9056000    
 N    3.032200      0.7944000     -0.2067000    
 C   -1.574300      -1.550800      0.2829000    
 C   -4.052800     -0.1328000      0.2737000    
 C   -1.192500      -2.026900     -0.9714000    
 C  -0.6188000      -1.012400       1.145000    
 C    1.115500      -1.425000     -0.5063000    
 C   0.1447000      -1.964400      -1.363600    
 C   0.7183000     -0.9498000      0.7526000    
 C   -4.644100     -7.4100003E-02 -0.9737000    
 C   -4.069500      0.9423000       1.141500    
 C   -5.276300       1.105000      -1.368400    
 C   -4.702100       2.121200      0.7469000    
 C   -5.305500       2.202600     -0.5080000    
 C    3.378700     -0.4275000     -0.5100000    
 C    5.800600     -0.1409000     -0.1107000    
 C    3.993700       1.697300      0.1774000    
 C    5.430800       1.264400      0.2419000    
 H   -1.919300      -2.443000      -1.663300    
 H  -0.8946000     -0.6354000       2.125700    
 H   0.4276000      -2.336700      -2.345500    
 H    1.440400     -0.5446000       1.457000    
 H   -4.625000     -0.9155000      -1.659100    
 H   -3.597400      0.9032000       2.118100    
 H    2.772500      -2.161700      -1.434000    
 H   -5.741600       1.156600      -2.349500    
 H   -4.716200       2.970300       1.425500    
 H    4.857100      -1.857700     -0.7229000    
 H   -5.965600       4.190900     -0.2827000    
 H   -6.382200       3.455200      -1.816100    


%chk=000080610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080610

0 1
S -3.318084 -1.543035 0.927344
O -3.315214 -1.406326 2.560067
O -3.876066 -2.860087 0.122737
O 7.053937 -0.313837 -1.461122
O 4.587164 1.699277 2.258328
O 7.025798 1.454080 0.807532
N 2.504623 -1.131127 -0.858938
N 4.788725 -0.681377 -1.093755
N -6.367571 3.244711 -1.211949
N 3.522123 0.301617 0.725443
C -1.509553 -1.355605 0.381583
C -4.226941 -0.050955 0.247160
C -1.104674 -2.026711 -0.783196
C -0.625884 -0.622977 1.188042
C 1.159139 -1.167587 -0.383981
C 0.244585 -1.926891 -1.167249
C 0.726450 -0.515647 0.801946
C -4.845542 -0.153815 -1.011549
C -4.325918 1.098302 1.052032
C -5.560986 0.952732 -1.500595
C -5.041302 2.203163 0.560015
C -5.663031 2.150373 -0.726356
C 3.600797 -0.462602 -0.351498
C 6.028749 -0.086323 -0.779329
C 4.643183 0.985025 1.226765
C 5.994966 0.847349 0.459722
H -1.824767 -2.628903 -1.346561
H -0.978288 -0.164892 2.117927
H 0.587409 -2.444802 -2.072452
H 1.447840 0.052261 1.391356
H -4.788492 -1.090156 -1.576611
H -3.876498 1.110903 2.050601
H 2.656759 -1.685549 -1.705232
H -6.054139 0.894041 -2.477709
H -5.132471 3.108573 1.170801
H 4.804549 -1.306522 -1.909249
H -6.457626 4.094178 -0.661655
H -6.828151 3.210742 -2.117013


