%chk=000092387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092387

0 1
 S    5.530300     -0.7983000     -0.3524000    
 O   -4.829900      -1.114200     -0.6671000    
 O  -0.6392000     -4.2900000E-02   2.075300    
 N   -2.515800      0.3329000      0.1408000    
 C   -1.190300      0.8978000     -0.1029000    
 C   -2.495300      -1.129200     -7.0000002E-03
 C   -3.507900      0.9172000     -0.7723000    
 C  -0.8304000      0.5759000      -1.555500    
 C   -1.274100       2.409000      0.1222000    
 C   -3.891100      -1.694500      0.2392000    
 C   -4.879800      0.3040000     -0.5070000    
 C  -0.2586000      0.2612000      0.9446000    
 C    1.160500      1.3000000E-03  0.6268000    
 C    2.100900      0.9816000      0.8894000    
 C    1.515800      -1.216100      7.4000001E-02
 C    3.440800      0.7365000      0.5890000    
 C    2.855800      -1.461300     -0.2262000    
 C    3.818300     -0.4850000      3.1199999E-02
 C    5.890000      0.5242000      -1.542300    
 H   -1.822500      -1.632000      0.6928000    
 H   -2.226100      -1.448800      -1.018100    
 H   -3.302100      0.7167000      -1.827100    
 H   -3.624100       1.995700     -0.6344000    
 H   0.1606000       1.005800      -1.763500    
 H  -0.7065000     -0.4843000      -1.788700    
 H   -1.462700       1.043600      -2.314100    
 H   -1.783000       2.655300       1.062300    
 H  -0.2673000       2.836600      0.2004000    
 H   -1.763700       2.947800     -0.6957000    
 H   -3.892600      -2.776300      7.0100002E-02
 H   -4.221600      -1.520800       1.270700    
 H   -5.243400      0.5459000      0.4993000    
 H   -5.610200      0.6936000      -1.223700    
 H    1.816000       1.933200       1.328400    
 H   0.7727000      -1.982300     -0.1274000    
 H    4.174200       1.509000      0.8058000    
 H    3.131000      -2.419400     -0.6603000    
 H    5.834000       1.504100      -1.061400    
 H    5.184400      0.4873000      -2.376800    
 H    6.901600      0.3879000      -1.933700    


%chk=000092387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092387

0 1
S 5.850907 0.388811 -1.131816
O -5.281433 -0.561960 0.905195
O -0.475191 0.592236 1.434407
N -2.670147 0.236542 -0.110603
C -1.369569 0.352009 -0.850381
C -2.842809 -0.996387 0.705547
C -3.906220 0.477312 -0.895771
C -1.159732 -0.877245 -1.797622
C -1.370473 1.689559 -1.652197
C -4.037295 -0.816514 1.655215
C -5.101505 0.630204 0.064845
C -0.206038 0.467397 0.203618
C 1.252336 0.436377 -0.204207
C 2.194630 0.343101 0.859870
C 1.774547 0.516110 -1.528599
C 3.581001 0.321251 0.630159
C 3.159512 0.503916 -1.770372
C 4.079726 0.402546 -0.694113
C 6.691020 0.292464 0.544011
H -1.938223 -1.170291 1.308829
H -3.031157 -1.894164 0.066603
H -4.129995 -0.356362 -1.609560
H -3.818641 1.410457 -1.476784
H -0.314273 -0.756134 -2.491882
H -0.986471 -1.802868 -1.221221
H -2.073572 -1.018856 -2.404089
H -1.782110 2.493783 -1.018142
H -0.354739 1.987406 -1.952602
H -1.978257 1.605031 -2.570497
H -4.228710 -1.735445 2.234352
H -3.832004 0.030404 2.342799
H -4.936516 1.521610 0.708126
H -6.045510 0.741865 -0.495472
H 1.802452 0.292809 1.880817
H 1.115244 0.607170 -2.394147
H 4.260232 0.242462 1.484427
H 3.528987 0.577297 -2.799278
H 6.422735 -0.641462 1.061335
H 6.435957 1.170376 1.157287
H 7.770004 0.295883 0.326614


