%chk=000068707.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068707

0 1
 S   -3.654400       2.262100      0.1531000    
 S    1.729000       1.317600     -0.4220000    
 O   -5.809700      -1.807100     -2.3100000E-02
 O   -3.725600      -2.400200     -0.7307000    
 O    5.046800     -0.7102000      0.2937000    
 O    4.636100       1.137400      -1.020300    
 N   -2.608500     -0.1894000      0.2443000    
 C   -2.265200       1.186600      0.6332000    
 C   -4.060500     -0.3137000      0.4334000    
 C   -4.728100      0.8668000     -0.2569000    
 C  -0.9748000       1.641400     -3.3799998E-02
 C   0.2005000      0.7649000      0.3862000    
 C   -4.476500      -1.613900     -0.1727000    
 C    2.848400      6.7699999E-02  0.2500000    
 C    4.256000      0.2629000     -0.2545000    
 C    6.427200     -0.6696000     -8.2999997E-02
 C    7.159200      -1.803100      0.6032000    
 H   -2.168700       1.246500       1.723900    
 H   -4.291300     -0.3425000       1.506800    
 H   -2.114500     -0.8569000      0.8353000    
 H  -0.7677000       2.683900      0.2436000    
 H   -1.083300       1.613300      -1.127200    
 H   -5.741600       1.040600      0.1160000    
 H   -4.770700      0.7472000      -1.344800    
 H   0.3369000      0.8116000       1.471800    
 H   3.3100002E-02 -0.2781000      0.1012000    
 H    2.503600     -0.9237000     -5.8499999E-02
 H    2.856300      0.1456000       1.341200    
 H   -6.103500      -2.656200     -0.4169000    
 H    6.860700      0.2894000      0.2220000    
 H    6.512300     -0.7782000      -1.170000    
 H    7.067800      -1.718300       1.691100    
 H    8.219800      -1.801900      0.3366000    
 H    6.724900      -2.768200      0.3221000    


%chk=000068707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068707

0 1
S -3.711370 2.409832 -0.010795
S 1.799704 1.158159 -0.659324
O -5.916986 -1.943222 0.647473
O -4.355459 -2.155079 -1.064277
O 5.244778 -0.707792 0.385199
O 4.764890 0.883019 -1.254462
N -2.760000 -0.189356 0.175108
C -2.251490 1.120801 0.492230
C -4.182182 -0.281263 0.529831
C -4.951042 0.986907 -0.036169
C -0.948009 1.483853 -0.222832
C 0.229368 0.608376 0.252744
C -4.778885 -1.550399 -0.055294
C 2.962752 -0.080215 0.153709
C 4.385473 0.119186 -0.342089
C 6.692262 -0.649006 -0.000010
C 7.433068 -1.604032 0.929254
H -2.178444 1.254933 1.584107
H -4.297511 -0.289437 1.627231
H -2.592176 -0.487150 -0.798161
H -0.718602 2.547658 -0.028201
H -1.088955 1.381879 -1.316319
H -5.813793 1.233763 0.600533
H -5.281941 0.821463 -1.074963
H 0.395013 0.729082 1.338715
H 0.046178 -0.457535 0.034120
H 2.637511 -1.108622 -0.085403
H 2.937769 0.040172 1.250506
H -6.320491 -2.745219 0.216218
H 7.033639 0.396811 0.101824
H 6.777326 -0.937301 -1.063383
H 7.317125 -1.299013 1.983223
H 8.510631 -1.602504 0.683373
H 7.053846 -2.634448 0.820583


