%chk=000131510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131510

0 1
 S    2.325000      0.1310000      -1.527900    
 O   -4.022000     -0.1657000     -0.4145000    
 O    4.159700      0.3150000       1.853000    
 N    4.689300      0.2768000     -0.4265000    
 N    6.057300      0.3531000     -0.2552000    
 C   -2.596000      -2.598600     -5.3199999E-02
 C   -2.878000       2.415800     -8.6400002E-02
 C   -1.947300      -1.216800      0.1318000    
 C   -2.101600       1.155400      0.1105000    
 C   -2.706400     -8.9500003E-02 -6.1799999E-02
 C  -0.6209000      -1.178600      0.4872000    
 C  -0.7564000       1.233500      0.4711000    
 C   -1.551500      -3.703100      0.2173000    
 C   -3.119200      -2.737600      -1.499200    
 C   -3.791200      -2.859600      0.8913000    
 C   -1.957700       3.573000     -0.5828000    
 C   -3.544800       2.881200       1.244400    
 C   -4.040800       2.330100      -1.128700    
 C  -1.6100001E-02  6.6399999E-02  0.6595000    
 C    1.386500      0.1479000       1.035900    
 C    2.439600      0.1809000      0.1936000    
 C    3.845900      0.2651000      0.6714000    
 C    4.123300      0.2086000      -1.749900    
 C    6.623400     -0.9844000     -0.1810000    
 H   1.0900000E-02  -2.041500      0.6519000    
 H  -0.2558000       2.180600      0.6420000    
 H   -1.183400      -3.696100       1.250500    
 H  -0.7091000      -3.671200     -0.4844000    
 H   -2.008200      -4.691700      7.4400000E-02
 H   -2.337000      -2.488900      -2.226600    
 H   -3.429300      -3.770800      -1.698600    
 H   -3.987300      -2.111000      -1.720000    
 H   -4.647400      -2.208600      0.6954000    
 H   -3.498900      -2.706300       1.936900    
 H   -4.152400      -3.890600      0.7952000    
 H   -2.547300       4.457200     -0.8554000    
 H   -1.260500       3.919200      0.1877000    
 H   -1.385300       3.277800      -1.470300    
 H   -4.240900       2.126300       1.627000    
 H   -4.100800       3.815500       1.105800    
 H   -2.790600       3.052600       2.021400    
 H   -4.954600       1.876400     -0.7339000    
 H   -3.729200       1.806400      -2.039900    
 H   -4.355300       3.335100      -1.439400    
 H    1.555800      0.1852000       2.110100    
 H   -4.530200      0.1646000      0.3475000    
 H    4.397500       1.104700      -2.314200    
 H    4.478900     -0.6882000      -2.264900    
 H    6.449500      0.8480000      -1.055400    
 H    6.218300      -1.546700      0.6672000    
 H    7.705800     -0.9114000     -3.5700001E-02
 H    6.449900      -1.555500      -1.099200    


%chk=000131510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131510

0 1
S 2.567241 -1.932995 -0.597012
O -4.178295 -0.214609 0.058596
O 4.164917 1.715131 -0.403494
N 4.881644 -0.521741 -0.648650
N 6.240982 -0.199457 -0.634687
C -2.550064 -2.529767 -0.435298
C -3.182793 2.598873 0.353951
C -1.960689 -1.103137 -0.275888
C -2.267385 1.365371 0.102608
C -2.791441 0.037807 -0.035377
C -0.571264 -0.877714 -0.365714
C -0.869723 1.511339 -0.002540
C -1.444759 -3.587652 -0.703394
C -3.535367 -2.569352 -1.644394
C -3.290554 -2.950687 0.871645
C -2.361170 3.913210 0.467387
C -3.954398 2.454903 1.707526
C -4.170492 2.808114 -0.841447
C 0.007341 0.415200 -0.229687
C 1.436527 0.703539 -0.307417
C 2.531779 -0.106430 -0.451625
C 3.904561 0.484731 -0.496866
C 4.470398 -1.932376 -0.662864
C 6.966655 -0.310793 0.638094
H 0.077469 -1.733907 -0.556547
H -0.424019 2.504735 0.096483
H -0.721167 -3.653328 0.130189
H -0.887838 -3.381509 -1.636282
H -1.920775 -4.579479 -0.810915
H -3.012179 -2.301782 -2.581396
H -3.942507 -3.592071 -1.758878
H -4.375277 -1.872849 -1.499646
H -4.116107 -2.260649 1.104306
H -2.590376 -2.965598 1.727700
H -3.707013 -3.968921 0.751325
H -3.051868 4.758846 0.639883
H -1.650623 3.883887 1.312972
H -1.796299 4.127049 -0.457732
H -4.622963 1.575624 1.771276
H -4.577128 3.352014 1.881158
H -3.236598 2.364406 2.542264
H -4.839321 1.950573 -1.044431
H -3.602251 2.989408 -1.771252
H -4.811760 3.688372 -0.650117
H 1.716875 1.766142 -0.231988
H -4.670288 0.625353 0.220428
H 4.780173 -2.433553 -1.596464
H 4.854093 -2.480826 0.215730
H 6.733837 -0.418614 -1.502992
H 6.492726 0.344311 1.388804
H 7.995333 0.055732 0.476947
H 7.025400 -1.343875 1.050727


