%chk=000131211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131211

0 1
 S   0.9165000       2.929900      1.0300000E-02
 O   -2.869800      0.2691000      3.9999999E-02
 O  -0.5997000      -1.014600      -2.354300    
 O    2.854500     -0.2022000      0.6714000    
 O    3.913900      0.9193000      -1.034000    
 O   -3.314900       1.054300       2.060300    
 O   -4.194400       2.099100      0.2978000    
 N   0.5398000     -0.2677000     -0.4906000    
 N   -3.521900       1.231200      0.8591000    
 C   -1.443500      -1.696500     -0.1736000    
 C   -2.120100     -0.6893000      0.7782000    
 C  -0.4713000     -0.9694000      -1.130300    
 C  -0.6724000      -2.743600      0.6485000    
 C   -2.517100      -2.428200      -1.003500    
 C    1.542000      0.4800000      -1.213900    
 C    1.091300       1.916100      -1.494700    
 C    2.904700      0.4354000     -0.5319000    
 C    4.096000     -0.2962000       1.377600    
 C    3.866400      -1.026700       2.683500    
 H   -1.362900     -0.1803000       1.387600    
 H   -2.792800      -1.241600       1.449000    
 H   5.4400001E-02  -2.279500       1.324100    
 H  -0.1170000      -3.425000     -6.2000002E-03
 H   -1.352500      -3.344800       1.262300    
 H   -3.239700      -2.937300     -0.3560000    
 H   -3.073400      -1.737100      -1.646700    
 H   -2.064600      -3.184000      -1.656200    
 H    1.684400     -2.8700000E-02  -2.176200    
 H   0.5913000     -0.2642000      0.5228000    
 H    1.818800       2.418800      -2.141000    
 H   0.1278000       1.921100      -2.015300    
 H   0.5356000       4.056400     -0.6095000    
 H    4.478400      0.7106000       1.579000    
 H    4.821800     -0.8463000      0.7683000    
 H    3.129000     -0.4976000       3.296100    
 H    3.465400      -2.028700       2.498800    
 H    4.797300      -1.117200       3.250200    


%chk=000131211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131211

0 1
S 0.915255 2.461532 -2.026134
O -1.076625 -0.389685 1.552647
O -0.085228 -1.954862 -2.391040
O 2.455295 0.492864 0.852266
O 4.044677 0.719071 -0.838719
O -1.309116 -1.310129 3.737957
O -0.756942 0.899570 3.451775
N 0.603606 -0.552709 -0.684292
N -1.046008 -0.263225 3.074616
C -1.591463 -1.750872 -0.441096
C -1.394930 -1.776001 1.095859
C -0.288927 -1.443481 -1.244027
C -2.076154 -3.172801 -0.831285
C -2.664475 -0.699635 -0.850302
C 1.838139 -0.197173 -1.394347
C 1.599440 0.784889 -2.572103
C 2.904338 0.378150 -0.457240
C 3.401853 1.140005 1.822165
C 2.747789 1.075812 3.196767
H -0.569270 -2.448064 1.394168
H -2.328558 -2.100310 1.588566
H -1.391266 -3.956771 -0.459267
H -2.102001 -3.254037 -1.929453
H -3.086814 -3.361728 -0.426804
H -3.623575 -0.914973 -0.343895
H -2.357636 0.325797 -0.582150
H -2.831430 -0.746148 -1.940274
H 2.255144 -1.119263 -1.849535
H 0.444855 -0.150473 0.246733
H 2.560011 1.016402 -3.058194
H 0.912103 0.325900 -3.297811
H -0.301685 1.975784 -1.572672
H 3.569443 2.175574 1.476760
H 4.361712 0.595922 1.776418
H 1.769647 1.585435 3.198520
H 2.600576 0.030284 3.518973
H 3.399520 1.573950 3.937451


