%chk=000132117.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132117

-1 1
 S    2.487700       1.173000      -1.417600    
 O    1.683100     -0.6097000       1.682000    
 O  -0.2156000      0.6466000      -2.339100    
 O    2.029200       2.196400       1.333600    
 O  -4.6500001E-02   2.628900      0.5084000    
 N    3.291400      -2.132300     -0.1478000    
 C    1.102800      0.6883000     -0.2893000    
 C    1.880700      -1.825600     -0.3752000    
 C    1.554700     -0.5811000      0.4550000    
 C  -0.1796000      0.5036000      -1.117200    
 C   -1.444700      9.6799999E-02 -0.4407000    
 C   0.9984000      -2.996400      4.0199999E-02
 C    1.025600       1.961000      0.5994000    
 C   -1.430400     -0.1045000      0.9211000    
 C   -2.579700     -6.2300000E-02  -1.203500    
 C   -2.613900     -0.4853000       1.553800    
 C   -3.763100     -0.4430000     -0.5709000    
 C   -3.780100     -0.6545000      0.8078000    
 H    1.717600      -1.631100      -1.439300    
 H    1.117400      -3.237900       1.102600    
 H    1.237000      -3.894000     -0.5405000    
 H  -5.8400001E-02  -2.762300     -0.1243000    
 H    3.868800      -1.379400     -0.5209000    
 H    3.547300      -2.970500     -0.6685000    
 H    1.878800       2.231800      -1.972900    
 H  -0.5836000      5.3100001E-02   1.568300    
 H   -2.591900      9.7000003E-02  -2.277200    
 H   -2.630900     -0.6396000       2.628900    
 H   -4.671700     -0.5741000      -1.151300    
 H   -4.702200     -0.9484000       1.300700    


%chk=000132117-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132117

-1 1
S 2.748014 0.997580 -1.483899
O 1.911309 -0.699526 1.761808
O -0.050391 1.595653 -1.960760
O 2.110635 2.633930 1.636587
O 0.122388 2.496610 0.337374
N 2.803316 -2.278544 -0.798203
C 1.479548 0.819406 -0.104438
C 1.459049 -1.768243 -0.410875
C 1.643745 -0.550692 0.538056
C -0.009475 1.253438 -0.615546
C -1.209175 0.435331 -0.198161
C 0.670472 -2.883604 0.303909
C 1.414222 2.056800 0.796625
C -1.563216 0.297448 1.168918
C -1.981385 -0.234664 -1.180752
C -2.665569 -0.501352 1.542983
C -3.085503 -1.031022 -0.805445
C -3.431676 -1.171182 0.559498
H 0.880185 -1.402036 -1.291671
H 1.194431 -3.154981 1.235815
H 0.598889 -3.779220 -0.344501
H -0.353488 -2.551017 0.550187
H 3.336394 -1.517907 -1.251417
H 2.728502 -3.110619 -1.400440
H 0.952955 1.604586 -2.260539
H -0.983478 0.826262 1.931556
H -1.704286 -0.103884 -2.230962
H -2.925098 -0.601276 2.603547
H -3.675638 -1.541302 -1.576643
H -4.287479 -1.791473 0.852990


