%chk=000033317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033317

0 1
 S  -0.3684000      0.1882000      -2.039200    
 N    4.314600      -1.540800     -0.2217000    
 C  -0.5339000     -0.4429000     -0.2942000    
 C   0.1108000       1.906000      -1.570100    
 C  -0.2963000      0.7689000      0.5944000    
 C   3.1300001E-02   1.968300     -6.1799999E-02
 C   0.5167000      -1.531000     -6.9499999E-02
 C   -1.912100      -1.002200     -0.1330000    
 C    1.927800     -0.9852000     -0.2679000    
 C  -0.8758000       2.871500      -2.235000    
 C    1.539600       2.153000      -2.065600    
 C  -0.3775000      0.7333000       1.990700    
 C   0.2706000       3.124600      0.6865000    
 C    2.972400      -2.069400     -8.8999998E-03
 C   -3.020000     -0.2065000     -0.4139000    
 C   -2.080800      -2.316100      0.2967000    
 C  -0.1398000       1.892200       2.728500    
 C   0.1829000       3.084000       2.078400    
 C   -4.304900     -0.7280000     -0.2639000    
 C   -3.365900      -2.837600      0.4466000    
 C   -4.477900      -2.043400      0.1663000    
 C    5.319300      -2.583900     -7.4999998E-03
 C    4.567200     -0.4031000      0.6643000    
 H   0.4734000      -1.920300      0.9573000    
 H   0.3804000      -2.379100     -0.7554000    
 H    2.081800     -0.6377000      -1.292500    
 H    2.079900     -0.1469000      0.4145000    
 H  -0.6202000       3.914300      -2.012300    
 H  -0.8679000       2.768700      -3.326700    
 H   -1.903700       2.717100      -1.886400    
 H    2.282900       1.535300      -1.553500    
 H    1.631700       1.980100      -3.144400    
 H    1.835500       3.194300      -1.886500    
 H  -0.6249000     -0.1883000       2.509700    
 H   0.5287000       4.059100      0.1966000    
 H    2.858300      -2.463300       1.009800    
 H    2.793200      -2.902500     -0.7003000    
 H   -2.924000      0.8268000     -0.7327000    
 H   -1.273400      -2.995700      0.5400000    
 H  -0.2040000       1.866900       3.812500    
 H   0.3692000       3.983200       2.658700    
 H   -5.171100     -0.1086000     -0.4778000    
 H   -3.502200      -3.861300      0.7830000    
 H   -5.478500      -2.448900      0.2846000    
 H    5.309800      -2.962000       1.021300    
 H    6.323200      -2.203600     -0.2271000    
 H    5.149800      -3.426800     -0.6869000    
 H    4.036500      0.4963000      0.3373000    
 H    5.627900     -0.1244000      0.6331000    
 H    4.314300     -0.6183000       1.708900    


%chk=000033317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033317

0 1
S -0.397971 0.168993 -2.153613
N 4.469223 -1.604957 -0.048683
C -0.541229 -0.461844 -0.317869
C 0.050456 1.989527 -1.686368
C -0.344599 0.811274 0.514203
C -0.023156 2.013096 -0.158982
C 0.592384 -1.494869 -0.046388
C -1.948775 -1.058709 -0.124437
C 2.029990 -0.952454 -0.164900
C -1.001408 2.925080 -2.331420
C 1.469147 2.317392 -2.210868
C -0.446648 0.797399 1.926641
C 0.208183 3.195112 0.587594
C 3.068825 -2.041028 0.173976
C -3.076962 -0.194158 -0.135787
C -2.174864 -2.446498 0.058467
C -0.216218 1.975761 2.667243
C 0.115761 3.177729 1.995819
C -4.382622 -0.694180 0.032788
C -3.485789 -2.953711 0.224408
C -4.595389 -2.082564 0.213521
C 5.407356 -2.745933 -0.035249
C 4.902824 -0.538198 0.876229
H 0.440256 -1.902955 0.976080
H 0.473227 -2.340922 -0.751043
H 2.209996 -0.605354 -1.198660
H 2.152090 -0.082381 0.506532
H -0.776055 3.982585 -2.091871
H -0.994092 2.815625 -3.430631
H -2.016558 2.691677 -1.968584
H 2.223475 1.648001 -1.766251
H 1.510901 2.208043 -3.309156
H 1.738758 3.362477 -1.961699
H -0.718894 -0.131694 2.440553
H 0.457809 4.129438 0.071037
H 2.911132 -2.389612 1.231736
H 2.889269 -2.917467 -0.480140
H -2.919908 0.879726 -0.286133
H -1.336021 -3.148119 0.073942
H -0.298144 1.962156 3.759740
H 0.294359 4.094796 2.568266
H -5.235628 -0.006099 0.020198
H -3.635747 -4.030863 0.361453
H -5.610249 -2.475456 0.341901
H 5.460075 -3.270538 0.954296
H 6.424563 -2.394312 -0.285928
H 5.104625 -3.486068 -0.797507
H 4.267572 0.355599 0.760440
H 5.941102 -0.245716 0.637282
H 4.870067 -0.850526 1.952824


