%chk=000178797.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178797

0 1
 S    3.850700      0.6269000       1.054700    
 O    3.885200      -1.293600     -0.7525000    
 N    2.228000      -1.381000      0.8817000    
 C  -0.6582000      -1.417300      4.8000000E-02
 C   0.4412000      -2.310200     -0.5347000    
 C   -1.759400      -1.153500     -0.9820000    
 C    1.563900      -2.583600      0.4608000    
 C   -2.832400     -0.2490000     -0.4319000    
 C   -2.711000       1.124300     -0.5848000    
 C   -3.924200     -0.8042000      0.2191000    
 C    3.673300       1.827200     -0.2829000    
 C    3.326800     -0.8438000      0.2396000    
 C   -3.703900       1.961100     -7.5400002E-02
 C   -4.917000      3.2600001E-02  0.7285000    
 C   -4.806900       1.415200      0.5813000    
 C    2.229100       1.845100     -0.7693000    
 C    4.114800       3.203700      0.1997000    
 H  -0.2315000     -0.4610000      0.3750000    
 H   -1.084700      -1.894600      0.9393000    
 H   0.8567000      -1.834500      -1.431800    
 H   6.2000002E-03  -3.266400     -0.8494000    
 H   -1.330000     -0.7028000      -1.886200    
 H   -2.207600      -2.101700      -1.306100    
 H    2.300100      -3.256100      7.1000000E-03
 H    1.169500      -3.071300       1.358400    
 H    1.868000     -0.8936000       1.696600    
 H   -1.854400       1.559100      -1.092300    
 H   -4.018000      -1.879500      0.3406000    
 H    4.325300       1.524600      -1.109900    
 H   -3.617800       3.037800     -0.1892000    
 H   -5.775500     -0.3922000       1.240300    
 H    2.101800       2.612400      -1.541900    
 H    1.526200       2.079500      3.8500000E-02
 H    1.929600      0.8950000      -1.223400    
 H    3.494100       3.564500       1.027900    
 H    5.159600       3.195500      0.5302000    
 H    4.036600       3.935500     -0.6121000    
 H   -5.579700       2.066900      0.9783000    


%chk=000178797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178797

0 1
S 3.366809 1.389695 1.031596
O 3.370987 -0.654649 -0.855495
N 1.889747 -0.884299 0.935885
C -1.073033 -1.394750 0.083262
C 0.181620 -2.078759 -0.500486
C -2.238499 -1.316847 -0.942451
C 1.353377 -2.191772 0.502424
C -3.474070 -0.637057 -0.370451
C -3.623010 0.772975 -0.435743
C -4.484826 -1.391093 0.280421
C 4.567518 2.012814 -0.329599
C 2.859981 -0.227752 0.213483
C -4.747089 1.412660 0.133773
C -5.611234 -0.756916 0.852212
C -5.746135 0.649095 0.781440
C 3.790167 2.758389 -1.425740
C 5.646272 2.869590 0.353238
H -0.822691 -0.367918 0.416311
H -1.419946 -1.945578 0.981817
H 0.533825 -1.529636 -1.394868
H -0.077894 -3.103441 -0.837843
H -1.881428 -0.769821 -1.837205
H -2.487762 -2.344488 -1.273058
H 2.184286 -2.751375 0.038193
H 1.032147 -2.740358 1.408174
H 1.507743 -0.435170 1.769746
H -2.854883 1.371450 -0.942092
H -4.390601 -2.483387 0.332762
H 4.993387 1.079773 -0.738776
H -4.846729 2.502324 0.068826
H -6.384071 -1.356902 1.346486
H 4.490013 3.098705 -2.214181
H 3.273770 3.645175 -1.016203
H 3.042063 2.097790 -1.895238
H 5.208853 3.763670 0.834321
H 6.193542 2.294810 1.119962
H 6.372700 3.217266 -0.405606
H -6.620407 1.142788 1.220504


