%chk=000162951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162951

0 1
 S   -5.853100      0.1327000     -2.6000000E-03
 O   -4.727100      -1.065800     -3.0000001E-04
 O   -7.270800     -0.6635000      0.1423000    
 O   -5.676400      0.9488000       1.184400    
 O   -5.835800      0.7508000      -1.315800    
 N    1.545700     -0.7256000      6.9999998E-04
 N    2.475600       1.880700     -4.0000002E-03
 N    4.661300       1.116500     -8.9999998E-04
 N   0.2406000       2.676800     -6.3999998E-03
 N    5.146600      -1.231900      3.5999999E-03
 N    3.371400      -2.791100      5.4000001E-03
 N    6.877700      0.3446000      2.4000001E-03
 C  -0.7016000     -4.2800002E-02 -1.6000000E-03
 C   0.6975000      0.3142000     -1.7000000E-03
 C    2.863100     -0.4454000      6.9999998E-04
 C    1.157700       1.602300     -3.8999999E-03
 C    3.346700      0.8645000     -1.5000000E-03
 C   -1.379800     -0.2183000      -1.209400    
 C   -1.380700     -0.2127000       1.206600    
 C   -3.408000     -0.7314000     -7.9999998E-04
 C   -2.731600     -0.5622000      -1.209000    
 C   -2.732500     -0.5567000       1.207000    
 C    3.818200      -1.444100      3.1000001E-03
 C    5.495200      5.9500001E-02  1.7000000E-03
 H  -0.8674000     -9.0599999E-02  -2.160100    
 H  -0.8689000     -8.0700003E-02   2.157100    
 H   -3.251100     -0.6985000      -2.153600    
 H   -3.252500     -0.6887000       2.151900    
 H   0.6348000       3.609800     -1.7000000E-03
 H  -0.6592000       2.552000     -0.4527000    
 H    4.082500      -3.511700     -2.3000001E-03
 H    2.470400      -2.997500     -0.4080000    
 H    7.542300     -0.4169000      4.8000002E-03
 H    7.186900       1.306800      1.5000000E-03
 H   -7.378500      -1.443000     -0.4518000    


%chk=000162951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162951

0 1
S -6.188388 -0.041027 -1.027173
O -4.807354 -0.795636 0.658209
O -7.091672 -1.620384 -0.691266
O -7.330881 1.110236 -1.032186
O -5.278530 -0.212279 -2.369719
N 1.503759 -0.542539 -0.263341
N 2.702995 1.847928 0.735025
N 4.851235 0.925070 0.358721
N 0.620228 2.814869 0.992546
N 5.069566 -1.293467 -0.739467
N 3.158351 -2.532549 -1.324975
N 6.920880 -0.030987 -0.106533
C -0.722933 0.157606 0.371855
C 0.713291 0.434106 0.268013
C 2.849704 -0.367546 -0.268320
C 1.356333 1.694161 0.685022
C 3.490461 0.811704 0.291258
C -1.330813 -0.748045 -0.560183
C -1.543824 0.724696 1.408993
C -3.516344 -0.478093 0.544665
C -2.690024 -1.049886 -0.494583
C -2.904091 0.426473 1.488809
C 3.723831 -1.414918 -0.788997
C 5.556838 -0.129760 -0.160496
H -0.700891 -1.179396 -1.343118
H -1.085708 1.344313 2.187223
H -3.165570 -1.703800 -1.231658
H -3.533757 0.834158 2.286444
H 1.144344 3.661091 1.217704
H -0.383317 2.865225 0.834718
H 3.752121 -3.277815 -1.683070
H 2.141384 -2.612246 -1.321504
H 7.491536 -0.785285 -0.480898
H 7.335652 0.801434 0.306789
H -6.469213 -2.096512 -0.063410


