%chk=000094697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094697

0 1
 S    2.979300     -0.5240000     -0.1178000    
 O    2.846300      -1.840300     -0.7259000    
 O    3.921400      0.4373000     -0.6743000    
 O   -3.928100      0.7223000      5.4499999E-02
 N   -2.151000     -0.8222000     -1.9200001E-02
 N   -4.353400      -1.522100      3.8000001E-03
 C    1.393800      0.2051000     -6.1500002E-02
 C   0.2548000     -0.6001000     -5.9999999E-02
 C   -1.011700     -1.7000001E-02 -1.9900000E-02
 C    1.266300       1.593600     -2.2700001E-02
 C    3.420700     -0.7529000       1.589900    
 C   -1.139300       1.371500      1.8900000E-02
 C  -1.9999999E-04   2.176800      1.7700000E-02
 C   -3.498900     -0.4279000      1.6400000E-02
 H   0.3453000      -1.683400     -8.3600000E-02
 H    2.139700       2.239500     -1.7200001E-02
 H    2.687100      -1.409600       2.061200    
 H    4.410100      -1.214200       1.625200    
 H    3.445600      0.2200000       2.084200    
 H   -2.084500       1.895200      5.1700000E-02
 H  -9.8300003E-02   3.258100      4.9500000E-02
 H   -1.983100      -1.824900     -4.8799999E-02
 H   -5.360400      -1.401000      2.5800001E-02
 H   -4.002400      -2.473300     -2.7600000E-02


%chk=000094697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094697

0 1
S 3.011104 -0.613961 -0.125173
O 2.728930 -2.158417 -0.601925
O 4.041982 0.377989 -0.919618
O -3.992989 0.703424 0.146697
N -2.212110 -0.843973 -0.043729
N -4.442730 -1.566567 -0.096415
C 1.320454 0.244708 -0.018404
C 0.197122 -0.587816 -0.040028
C -1.089096 0.018180 0.000109
C 1.270503 1.645954 0.018582
C 3.621083 -0.700664 1.689421
C -1.188752 1.436894 0.069194
C -0.019277 2.227330 0.070871
C -3.573940 -0.481964 0.009661
H 0.333936 -1.673949 -0.123431
H 2.182494 2.248958 -0.027920
H 2.882370 -1.289327 2.250164
H 4.597112 -1.202457 1.632596
H 3.705910 0.333832 2.048939
H -2.178296 1.896097 0.107245
H -0.117169 3.317523 0.104004
H -1.992277 -1.838094 -0.132782
H -5.436940 -1.356033 -0.058363
H -4.150322 -2.531167 -0.239394


