%chk=000049233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049233

0 1
 S   -1.622300     -0.7391000      0.5593000    
 O   0.4228000      -1.591300      -1.817800    
 O   0.5454000       1.601100       1.623700    
 O    4.053900      -1.283300      0.9710000    
 N    2.277600      -1.369800     -0.4860000    
 N    2.338500      0.2245000       1.233500    
 C   0.6170000      0.4362000     -0.5019000    
 C  -0.9161000      0.5212000     -0.5261000    
 C    1.199200       1.470600      -1.481800    
 C   -3.373700     -0.3688000      0.3009000    
 C    1.059200     -0.9397000     -0.9900000    
 C    1.125900      0.8027000      0.8887000    
 C   0.8398000       2.877500      -1.060100    
 C   -3.698500     -0.5441000      -1.185300    
 C   -4.202300      -1.341900       1.144400    
 C   -3.640200       1.074100      0.7391000    
 C    2.973800     -0.8299000      0.5886000    
 H   -1.260600      0.3821000      -1.553600    
 H   -1.245500       1.496200     -0.1715000    
 H   0.8289000       1.286900      -2.498600    
 H    2.292400       1.385900      -1.534800    
 H  -0.2348000       3.068800      -1.028600    
 H    1.291000       3.174800     -0.1103000    
 H    1.242200       3.574600      -1.805800    
 H   -3.348000      -1.506200      -1.577200    
 H   -4.785900     -0.5232000      -1.333100    
 H   -3.306700      0.2579000      -1.817500    
 H   -3.982600      -1.241700       2.214100    
 H   -4.023000      -2.384500      0.8559000    
 H   -5.274800      -1.152600       1.016900    
 H   -3.261400       1.823200      3.7599999E-02
 H   -4.722200       1.252000      0.7928000    
 H   -3.238700       1.287900       1.736600    
 H    2.664400      -2.216200     -0.8941000    
 H    2.770200      0.5533000       2.092700    


%chk=000049233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049233

0 1
S -1.605685 -1.133215 -0.237682
O 1.340126 -1.419965 -2.170072
O 0.056591 1.856825 1.188182
O 3.243571 -1.398181 2.069162
N 2.278979 -1.357377 -0.059914
N 1.698711 0.275976 1.545823
C 0.682723 0.469006 -0.744315
C -0.802149 0.320076 -1.158883
C 1.407116 1.565029 -1.639409
C -3.322827 -0.406862 0.325233
C 1.428247 -0.846757 -1.054758
C 0.752493 0.915374 0.724728
C 0.743089 2.955457 -1.669196
C -4.090247 0.101381 -0.913302
C -4.033199 -1.629362 0.947768
C -3.112122 0.705977 1.369735
C 2.463008 -0.864534 1.243386
H -0.869078 0.129903 -2.241114
H -1.344267 1.239048 -0.891420
H 1.449976 1.142378 -2.660933
H 2.454080 1.660492 -1.287607
H -0.254636 2.923565 -2.140891
H 0.628318 3.380398 -0.658259
H 1.370018 3.642588 -2.266043
H -4.202941 -0.698104 -1.665974
H -5.099794 0.442213 -0.609565
H -3.582304 0.958890 -1.390494
H -3.458904 -2.035367 1.799650
H -4.174217 -2.434100 0.204674
H -5.028852 -1.322946 1.321190
H -2.488310 1.531623 0.985571
H -4.093654 1.126599 1.666426
H -2.616084 0.309873 2.272541
H 2.802739 -2.208395 -0.289932
H 1.784388 0.621692 2.507395


