%chk=000004236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004236

0 1
 S  -0.9501000      -1.329600     -0.4483000    
 O  -0.6587000      -2.704700      3.9299998E-02
 O   -4.012400      -1.411100      -1.230300    
 N   -4.318000      -2.098000      0.9414000    
 C   0.2271000     -0.2123000      0.4418000    
 C  -7.0699997E-02   1.235800      0.2451000    
 C    1.680200     -0.5968000      0.1666000    
 C   -2.408700     -0.7168000      0.4216000    
 C   7.6499999E-02   2.128700       1.306500    
 C    2.415900      -1.168600       1.180300    
 C  -0.4967000       1.697200      -1.000500    
 C    2.201300     -0.3573000      -1.085200    
 C  -0.2023000       3.483000       1.122500    
 C    3.742300      -1.519400      0.9291000    
 C  -0.7755000       3.051500      -1.184500    
 C    3.527700     -0.7082000      -1.336500    
 C  -0.6282000       3.944400     -0.1231000    
 C    4.298200      -1.289300     -0.3294000    
 C   -3.647900      -1.428600     -5.6600001E-02
 H   2.4800001E-02 -0.4437000       1.497500    
 H   -2.267400     -0.8543000       1.498000    
 H   -2.569900      0.3456000      0.2256000    
 H   0.4092000       1.783900       2.282000    
 H    1.994000      -1.353100       2.163300    
 H  -0.6083000       1.039000      -1.856800    
 H    1.619800      7.9300001E-02  -1.889200    
 H  -8.7099999E-02   4.178500       1.948700    
 H    4.342300      -1.972200       1.713100    
 H   -1.103600       3.411800      -2.155100    
 H    3.959800     -0.5323000      -2.317300    
 H  -0.8442000       4.999000     -0.2667000    
 H    5.330800      -1.563300     -0.5253000    
 H   -5.166700      -2.616400      0.7398000    
 H   -4.002200      -2.105000       1.905800    


%chk=000004236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004236

0 1
S -1.067814 -1.246478 -0.214388
O -0.904457 -2.650469 0.716062
O -5.002564 -0.743569 0.416681
N -3.651570 -2.577583 0.965714
C 0.376087 0.016060 0.602268
C -0.009193 1.409424 0.198286
C 1.717936 -0.546362 0.211596
C -2.608442 -0.378472 0.613074
C -0.318414 2.371260 1.196485
C 2.105785 -1.811429 0.741748
C -0.120808 1.786331 -1.169949
C 2.622196 0.145750 -0.638668
C -0.709602 3.680870 0.841555
C 3.357808 -2.370560 0.414758
C -0.523126 3.091606 -1.524440
C 3.880261 -0.413079 -0.952903
C -0.814435 4.045339 -0.520647
C 4.251554 -1.673942 -0.432676
C -3.866620 -1.263264 0.637452
H 0.156565 -0.191447 1.664349
H -2.283553 -0.131426 1.638717
H -2.806023 0.534630 0.035652
H -0.239752 2.094978 2.254927
H 1.405934 -2.358182 1.382672
H 0.091858 1.051422 -1.955281
H 2.359981 1.134154 -1.027453
H -0.938237 4.411638 1.624813
H 3.637728 -3.347782 0.822990
H -0.613397 3.364126 -2.581635
H 4.572255 0.138687 -1.598886
H -1.126171 5.058272 -0.797126
H 5.228533 -2.105098 -0.678013
H -4.455314 -3.203807 1.013132
H -2.673691 -2.924900 1.062333


