%chk=000055312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055312

0 1
 S    3.489200       2.392500      0.3386000    
 O   -6.675500     -0.4067000      0.5241000    
 O  -0.3618000      0.4076000     -0.1225000    
 O   0.7035000      -1.611300     -0.3419000    
 N   -4.032600      0.1823000     -0.3531000    
 C   -4.288200     -0.7930000      0.7159000    
 C   -5.092500       1.200000     -0.3703000    
 C   -2.720100      0.8028000     -0.1864000    
 C   -5.667500      -1.418200      0.5272000    
 C   -6.453200      0.5282000     -0.5324000    
 C   -1.617900     -0.2409000     -0.2724000    
 C    1.976600      0.3828000     -8.7000001E-03
 C    3.291200     -0.1611000     -1.5200000E-02
 C   0.7491000     -0.3968000     -0.1758000    
 C    4.239900      0.8496000      0.1687000    
 C    1.926300       1.733200      0.1709000    
 C    3.751600      -1.490900     -0.1707000    
 C    5.619800      0.5677000      0.2000000    
 C    5.119700      -1.774000     -0.1395000    
 C    6.042200     -0.7538000      4.3499999E-02
 H   -4.235600     -0.3083000       1.699300    
 H   -3.578200      -1.623600      0.7000000    
 H   -4.938800       1.896100      -1.202700    
 H   -5.080100       1.777600      0.5633000    
 H   -2.643300       1.348600      0.7637000    
 H   -2.550800       1.546500     -0.9761000    
 H   -5.726800      -1.996700     -0.4029000    
 H   -5.884600      -2.100300       1.355600    
 H   -7.247800       1.279600     -0.4842000    
 H   -6.539100      1.6100001E-02  -1.498500    
 H   -1.650600     -0.7530000      -1.241700    
 H   -1.686900     -0.9795000      0.5307000    
 H    1.070500       2.392500      0.2165000    
 H    3.059300      -2.315100     -0.3164000    
 H    6.349200       1.359900      0.3433000    
 H    5.460800      -2.798500     -0.2599000    
 H    7.104100     -0.9835000      6.6000000E-02


%chk=000055312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055312

0 1
S 3.669142 2.550644 0.152235
O -6.854713 -0.449918 0.418178
O -0.343696 0.466550 -0.266026
O 0.748438 -1.593296 -0.382157
N -4.076010 0.163626 -0.181570
C -4.441051 -0.845150 0.849954
C -5.136047 1.201770 -0.277598
C -2.727160 0.742320 0.016744
C -5.801908 -1.474297 0.509718
C -6.485978 0.543070 -0.605006
C -1.642403 -0.239350 -0.443823
C 2.036988 0.457445 -0.111449
C 3.379979 -0.121313 -0.048381
C 0.802846 -0.341865 -0.265058
C 4.392116 0.878871 0.095797
C 2.036274 1.840712 -0.018508
C 3.777451 -1.485349 -0.108195
C 5.762420 0.564859 0.180558
C 5.144478 -1.808606 -0.023561
C 6.131961 -0.795763 0.119490
H -4.494990 -0.379979 1.866810
H -3.675261 -1.641611 0.880899
H -4.870549 1.912286 -1.083120
H -5.235209 1.779118 0.675902
H -2.534913 1.035847 1.077842
H -2.648927 1.659681 -0.595128
H -5.726064 -2.022075 -0.454178
H -6.129715 -2.164176 1.304694
H -7.301574 1.284881 -0.604651
H -6.426652 0.051327 -1.599979
H -1.769586 -0.495622 -1.510122
H -1.621543 -1.173879 0.143266
H 1.168033 2.495661 -0.042053
H 3.010219 -2.255844 -0.220205
H 6.520474 1.346693 0.290466
H 5.453894 -2.858350 -0.069023
H 7.190338 -1.070515 0.183237


