%chk=000154711.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154711

0 1
 S   -1.202300       2.292600     -9.7099997E-02
 O   -2.444600       2.772300      0.4900000    
 O  -0.5430000       3.094700      -1.116100    
 N  -9.9100001E-02   1.947400       1.177600    
 N    4.487300      -1.088400     -1.4200000E-02
 N   -2.736400      7.3100001E-02   1.170500    
 C   -1.519100      0.7013000     -0.7671000    
 C   -2.257500     -0.2357000     -4.9400002E-02
 C    1.072600       1.171500      0.8722000    
 C   -2.480400      -1.497600     -0.6392000    
 C   -1.007200      0.4149000      -2.035000    
 C    3.337800     -0.3279000      0.2838000    
 C   -1.965600      -1.785900      -1.914500    
 C    1.982800       1.641300     -6.7100003E-02
 C    1.282400     -3.9600000E-02   1.520700    
 C   -1.230500     -0.8300000      -2.609900    
 C    3.119600      0.8889000     -0.3625000    
 C    2.419300     -0.7920000       1.225500    
 C   -3.223700      -2.441200      8.2800001E-02
 C   -3.718600      -2.125900       1.340000    
 C   -3.449100     -0.8658000       1.834200    
 C    5.713000     -0.4349000     -0.4283000    
 C    4.462500      -2.533100      0.1032000    
 H  -0.5190000       1.749200       2.095300    
 H  -0.4274000       1.140500      -2.597400    
 H    1.850500       2.596900     -0.5639000    
 H   0.5729000     -0.4090000       2.256200    
 H   -2.134300      -2.757600      -2.373300    
 H  -0.8334000      -1.057200      -3.594500    
 H    3.811900       1.276200      -1.104600    
 H    2.564500      -1.729100       1.755300    
 H   -3.421000      -3.427400     -0.3311000    
 H   -4.295000      -2.843300       1.911900    
 H   -3.809800     -0.5628000       2.811600    
 H    5.912300      0.4608000      0.1710000    
 H    5.665700     -0.1560000      -1.486200    
 H    6.576900      -1.097100     -0.3012000    
 H    5.280900      -2.989500     -0.4648000    
 H    3.531600      -2.952300     -0.2954000    
 H    4.576100      -2.839700       1.148300    


%chk=000154711-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154711

0 1
S -1.039532 2.193852 -0.443924
O -2.279547 3.185433 -0.073419
O 0.008458 2.638047 -1.625771
N 0.100078 1.771969 1.327506
N 4.941998 -0.969144 0.237328
N -2.444501 -0.084713 1.144148
C -1.802668 0.557013 -1.119225
C -2.471745 -0.329449 -0.224064
C 1.254846 1.041222 1.028201
C -3.143295 -1.482027 -0.796857
C -1.726631 0.326906 -2.487086
C 3.735741 -0.317354 0.485450
C -3.081851 -1.700898 -2.211081
C 2.376287 1.740767 0.476729
C 1.397134 -0.365563 1.264549
C -2.376250 -0.823591 -3.037787
C 3.578648 1.083650 0.205526
C 2.608993 -1.023819 1.030225
C -3.840400 -2.351709 0.103647
C -3.838674 -2.073610 1.471540
C -3.114215 -0.933913 1.947293
C 6.075582 -0.232390 -0.342564
C 5.086460 -2.400711 0.539083
H -0.649034 1.181951 1.761674
H -1.170573 1.030451 -3.116811
H 2.263926 2.809043 0.270131
H 0.543068 -0.927218 1.664218
H -3.593902 -2.572370 -2.636144
H -2.325160 -1.002052 -4.116802
H 4.406314 1.656660 -0.220452
H 2.684904 -2.090633 1.257634
H -4.367989 -3.227017 -0.292851
H -4.367247 -2.712882 2.184655
H -3.079351 -0.713292 3.020435
H 6.404478 0.596202 0.315602
H 5.820603 0.195670 -1.332162
H 6.926728 -0.917483 -0.477479
H 6.112803 -2.722557 0.304593
H 4.388631 -3.020351 -0.059354
H 4.900486 -2.611489 1.610967


