%chk=000149248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149248

0 1
 S   -7.234400     -0.9770000      0.6707000    
 O   -7.481000      -2.552400      0.3278000    
 O   -8.053200     -0.1721000     -0.2171000    
 O   -7.276900     -0.8011000       2.110900    
 O    3.826400      -5.007000     -0.2445000    
 O    5.372300      -3.929700      0.8819000    
 N   0.4517000      0.9683000      -1.395700    
 N    4.022800      0.8249000      0.7943000    
 N    4.306500      -3.944700      0.2199000    
 C    1.662600      0.9197000     -0.6529000    
 C    2.302500     -0.3072000     -0.4497000    
 C    2.204100       2.099100     -0.1317000    
 C    3.497000     -0.3082000      0.2901000    
 C   -5.009400      0.5441000      0.1499000    
 C    3.402500       2.004000      0.5956000    
 C   -3.578500      0.6559000     -0.2550000    
 C  -0.8926000      0.8639000      -1.015300    
 C   -5.553600     -0.8869000      0.1371000    
 C    1.780800      -1.507900     -0.9618000    
 C   -2.572600      0.5689000      0.7073000    
 C   -3.246100      0.8467000      -1.596300    
 C   -1.234100      0.6727000      0.3285000    
 C   -1.907600      0.9503000      -1.975100    
 C    1.582400       3.345800     -0.3205000    
 C    4.138600      -1.526700      0.4959000    
 C    3.946600       3.174700       1.117100    
 C    3.623100      -2.721800     -1.1700000E-02
 C    2.441600      -2.712800     -0.7421000    
 C    2.146900       4.501400      0.2112000    
 C    3.331500       4.415300      0.9313000    
 H   -5.138100      0.9752000       1.151800    
 H   -5.623300       1.177400     -0.5045000    
 H   0.6071000       1.103400      -2.390400    
 H   -4.964800      -1.536500      0.7936000    
 H   -5.510400      -1.293700     -0.8793000    
 H   0.8616000      -1.535700      -1.541300    
 H   -2.818800      0.4182000       1.755100    
 H   -4.020600      0.9139000      -2.355600    
 H  -0.4717000      0.6006000       1.099800    
 H   -1.663900       1.098200      -3.024400    
 H   0.6581000       3.449700     -0.8825000    
 H    5.064200      -1.520300       1.070400    
 H    4.874200       3.133500       1.685100    
 H    2.007600      -3.619500      -1.154900    
 H    1.665600       5.463100      6.3000001E-02
 H    3.780700       5.311100       1.350200    
 H   -7.540400      -2.773700     -0.6313000    


%chk=000149248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149248

0 1
S -7.636716 -0.099622 0.562312
O -7.832562 -1.888313 1.066378
O -8.501252 0.194391 -0.774759
O -7.819291 0.865013 1.849666
O 5.436779 -4.751871 -0.992830
O 6.775488 -3.377122 0.241332
N 0.458093 0.224542 -1.381629
N 4.080317 0.785815 0.887173
N 5.678744 -3.636039 -0.386184
C 1.613466 0.427051 -0.596517
C 2.594082 -0.619064 -0.539880
C 1.883809 1.664870 0.079253
C 3.829001 -0.368612 0.194927
C -5.145384 1.068655 -0.141146
C 3.128016 1.770676 0.840854
C -3.667133 0.880806 -0.459725
C -0.898404 0.470953 -1.045397
C -5.764533 -0.309144 0.141486
C 2.409279 -1.908920 -1.152092
C -2.692579 0.881381 0.571317
C -3.230690 0.657366 -1.790804
C -1.327700 0.675128 0.294421
C -1.867886 0.463235 -2.085880
C 1.036716 2.823583 -0.004165
C 4.844050 -1.383396 0.225677
C 3.411665 2.989141 1.553626
C 4.622030 -2.593085 -0.421071
C 3.397683 -2.884270 -1.105908
C 1.357017 3.994121 0.679996
C 2.544626 4.073695 1.484372
H -5.276816 1.717889 0.743157
H -5.669311 1.545277 -0.989710
H 0.598414 -0.308923 -2.242218
H -5.361960 -0.806862 1.036819
H -5.778331 -0.989871 -0.723401
H 1.457277 -2.151574 -1.636292
H -3.004659 1.045474 1.609992
H -3.961397 0.655952 -2.608787
H -0.600284 0.666305 1.111222
H -1.548759 0.319914 -3.125452
H 0.134279 2.790044 -0.619298
H 5.774239 -1.184299 0.762792
H 4.341470 3.020414 2.129146
H 3.265435 -3.868751 -1.560314
H 0.701638 4.867761 0.597710
H 2.771595 4.998552 2.025137
H -8.792561 -2.043164 1.299595


