%chk=000092361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092361

0 1
 S    1.505700       1.540700     -0.2420000    
 O    1.321000       1.699200      -1.672900    
 O    2.571600       2.250300      0.4406000    
 O   0.5456000      -2.227500      0.1930000    
 O   -4.367900      -1.413100     -0.2658000    
 N    1.613300     -0.1438000      0.1071000    
 N   4.6100002E-02   1.911600      0.5575000    
 C    2.971200     -0.7403000     -5.9300002E-02
 C   0.4572000      -1.006400      0.1422000    
 C  -0.8750000     -0.3470000      0.1158000    
 C   -1.051700       1.034200      0.2707000    
 C    2.911000      -1.827700      -1.122200    
 C    3.436200      -1.288600       1.281800    
 C   -2.001500      -1.162600     -7.3200002E-02
 C   -2.343500       1.575400      0.2984000    
 C   -3.283800     -0.6110000     -8.1400000E-02
 C   -3.455200      0.7564000      0.1097000    
 H    3.680600      2.5500000E-02 -0.3929000    
 H  -0.2093000       2.907300      0.5952000    
 H    3.925200      -2.022600      -1.492000    
 H    2.550500      -2.790800     -0.7505000    
 H    2.308100      -1.527100      -1.985900    
 H    3.467300     -0.4930000       2.034400    
 H    4.442500      -1.712100       1.197200    
 H    2.773300      -2.072900       1.661800    
 H   -1.889300      -2.235600     -0.2127000    
 H   -2.494700       2.639900      0.4613000    
 H   -4.451300       1.190200      0.1188000    
 H   -4.066800      -2.330800     -0.3806000    


%chk=000092361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092361

0 1
S 1.492213 1.569429 -0.548774
O 1.140684 1.635528 -2.131800
O 2.791487 2.350694 0.006293
O 0.531690 -2.265189 0.310719
O -4.491928 -1.389673 -0.112664
N 1.595659 -0.235353 0.044460
N 0.018704 1.916231 0.604727
C 2.987087 -0.794670 0.021333
C 0.433524 -1.003505 0.171741
C -0.903664 -0.322935 0.169990
C -1.092845 1.084282 0.332145
C 3.225793 -1.692840 -1.212851
C 3.302989 -1.497583 1.361864
C -2.034587 -1.156682 0.013669
C -2.408934 1.623101 0.303599
C -3.335882 -0.612960 0.026453
C -3.525411 0.783970 0.174599
H 3.641589 0.097202 -0.047034
H -0.172215 2.933469 0.599802
H 4.288048 -1.995764 -1.244385
H 2.601819 -2.599572 -1.159413
H 2.994275 -1.152680 -2.148065
H 3.120574 -0.818917 2.212742
H 4.370241 -1.784626 1.368573
H 2.687969 -2.402610 1.482528
H -1.856443 -2.233636 -0.096140
H -2.552433 2.705229 0.402343
H -4.542119 1.186160 0.167820
H -4.271481 -2.348299 -0.220176


