%chk=000097102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097102

0 1
 S  -0.8179000     -0.3549000      -1.185200    
 S    1.784700      -1.364800     -0.9703000    
 O    1.966500      -1.510700      -2.408900    
 O    1.424800      -2.524800     -0.1652000    
 N   0.6785000     -8.3300002E-02 -0.6789000    
 C   -1.338400      -1.345400      0.2399000    
 C   -2.828300      -1.315200      0.4220000    
 C   -1.463600       1.246800     -0.6317000    
 C    3.242200     -0.6852000     -0.2908000    
 C    3.548400     -0.8959000       1.053700    
 C    4.100500      6.8400003E-02  -1.091600    
 C   -3.659200      -1.477600     -0.6805000    
 C   -3.362500      -1.125700       1.691300    
 C   -1.000100       1.790400      0.5548000    
 C   -2.409100       1.899400      -1.404900    
 C    5.570600      0.4006000      0.7966000    
 C    4.712500     -0.3528000       1.597400    
 C    5.264600      0.6113000     -0.5480000    
 C   -5.043600      -1.449800     -0.5115000    
 C   -4.746900      -1.098000       1.860200    
 C   -1.496900       3.022400      0.9805000    
 C   -2.905700       3.131400     -0.9791000    
 C   -5.587300      -1.260100      0.7588000    
 C   -2.449500       3.692800      0.2136000    
 C    6.815700      0.9809000       1.377500    
 H  -0.8231000      -1.015600       1.148800    
 H   -1.051700      -2.385600      5.4600000E-02
 H    2.891200      -1.473100       1.698100    
 H    3.878600      0.2501000      -2.139400    
 H   -3.267000      -1.655200      -1.677500    
 H   -2.719000     -0.9985000       2.557200    
 H  -0.2694000       1.296900       1.188200    
 H   -2.771800       1.471900      -2.335300    
 H    4.940100     -0.5240000       2.646200    
 H    5.925700       1.196200      -1.182000    
 H   -5.698300      -1.582100      -1.367900    
 H   -5.170500     -0.9505000       2.849300    
 H   -1.144400       3.458400       1.910700    
 H   -3.647900       3.653500      -1.575900    
 H   -6.665200      -1.240000      0.8906000    
 H   -2.837100       4.651500      0.5456000    
 H    7.084500       1.918500      0.8792000    
 H    6.686700       1.209300       2.441000    
 H    7.645300      0.2752000       1.268500    


%chk=000097102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097102

0 1
S -0.954765 0.204049 -0.975103
S 1.768890 -0.821057 -1.384373
O 2.067499 -0.662983 -2.981020
O 1.140032 -2.256317 -0.859688
N 0.801595 0.572446 -0.623086
C -1.449186 -0.959185 0.605137
C -2.874949 -1.384455 0.561256
C -1.645816 1.847575 -0.432293
C 3.380010 -0.486225 -0.470297
C 3.543072 -1.007739 0.822397
C 4.377450 0.240772 -1.137829
C -3.265789 -2.489385 -0.247132
C -3.868471 -0.698010 1.313310
C -0.789619 2.793604 0.163102
C -3.015171 2.095516 -0.659797
C 5.811422 -0.037818 0.850286
C 4.772023 -0.775306 1.477975
C 5.597188 0.463235 -0.460849
C -4.614984 -2.897068 -0.298385
C -5.217572 -1.111130 1.265732
C -1.337518 4.035555 0.556177
C -3.546115 3.343485 -0.256916
C -5.594985 -2.210227 0.458586
C -2.710738 4.309602 0.350468
C 7.139795 0.178533 1.553145
H -1.167811 -0.314957 1.451366
H -0.704561 -1.754988 0.429417
H 2.742500 -1.591455 1.287589
H 4.204027 0.600208 -2.157333
H -2.504376 -3.026370 -0.825422
H -3.577690 0.152988 1.940990
H 0.272159 2.553498 0.284474
H -3.653990 1.348706 -1.142014
H 4.926319 -1.171811 2.488383
H 6.392019 1.031117 -0.958345
H -4.903249 -3.751584 -0.920309
H -5.971484 -0.581633 1.858706
H -0.688924 4.788861 1.015736
H -4.606491 3.557139 -0.427143
H -6.641672 -2.532149 0.422837
H -3.126364 5.276719 0.653719
H 7.620667 1.118452 1.230833
H 7.018760 0.212400 2.649942
H 7.843565 -0.645508 1.325472


