%chk=000176998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176998

0 1
 S   -4.925600       1.273200     -0.1241000    
 O   -5.006900       1.786000       1.426300    
 O   -4.331700       2.354000     -0.8977000    
 O   -6.224300      0.7279000     -0.4878000    
 N    5.852900      0.4763000     -0.1844000    
 N   0.3889000     -0.4521000      0.6086000    
 N  -0.1748000     -0.6615000     -0.4912000    
 C    4.476300      0.2426000      1.5200000E-02
 C    3.578100       1.309900      3.0000001E-04
 C    4.012900      -1.055900      0.2276000    
 C   -3.799700     -6.0699999E-02 -0.1077000    
 C    1.753600     -0.2196000      0.4103000    
 C    2.216800       1.078800      0.1979000    
 C    2.651500      -1.286900      0.4252000    
 C   -1.546100     -0.8953000     -0.2913000    
 C   -2.438600      0.1721000     -0.3062000    
 C    6.451400       1.730900      0.2255000    
 C    6.689600     -0.5409000     -0.7896000    
 C   -4.261300      -1.359800      0.1046000    
 C   -2.001200      -2.193200     -7.9899997E-02
 C   -3.362000      -2.426000      0.1186000    
 H    3.904300       2.331200     -0.1742000    
 H    4.686400      -1.907700      0.2575000    
 H    1.524400       1.916500      0.1827000    
 H    2.300100      -2.301700      0.5932000    
 H   -2.064100       1.179800     -0.4666000    
 H    6.247000       2.516900     -0.5092000    
 H    7.539700       1.639500      0.3150000    
 H    6.080800       2.050700       1.206100    
 H    7.619100     -0.1085000      -1.177000    
 H    6.188800      -1.020300      -1.638300    
 H    6.963600      -1.305700     -5.5300001E-02
 H   -5.315200      -1.565000      0.2694000    
 H   -1.307500      -3.029600     -6.7699999E-02
 H   -3.721000      -3.437400      0.2858000    
 H   -4.160200       2.119400       1.806200    


%chk=000176998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176998

0 1
S -4.684949 0.176582 1.953477
O -4.691528 -1.576259 2.587152
O -3.779871 1.075248 2.949293
O -6.214223 0.605792 1.636902
N 6.024642 0.383607 -0.035591
N 0.372766 0.013433 0.077495
N -0.273558 -0.318123 -1.020941
C 4.637754 0.284107 -0.032366
C 3.918424 -0.081927 -1.225833
C 3.876743 0.543301 1.157698
C -3.762785 -0.202039 0.354055
C 1.776711 0.080365 -0.038046
C 2.526332 -0.180588 -1.226798
C 2.481561 0.441655 1.145674
C -1.693318 -0.372688 -0.858284
C -2.372797 -0.106995 0.367665
C 6.788996 0.113594 -1.264308
C 6.741011 0.762669 1.193025
C -4.544926 -0.535745 -0.767382
C -2.442995 -0.719074 -2.014511
C -3.851169 -0.796489 -1.971430
H 4.463333 -0.287083 -2.151278
H 4.379923 0.822784 2.086555
H 1.983171 -0.458047 -2.135595
H 1.897156 0.639329 2.050511
H -1.801184 0.169001 1.259155
H 6.630858 -0.921933 -1.624438
H 7.863132 0.241368 -1.061266
H 6.510757 0.809712 -2.079931
H 7.822396 0.796069 0.991087
H 6.566960 0.032459 2.007876
H 6.429397 1.762637 1.553780
H -5.636229 -0.573147 -0.701010
H -1.892855 -0.918023 -2.939679
H -4.413630 -1.060361 -2.872467
H -5.150007 -1.567293 3.477553


