%chk=000093842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093842

0 1
 S   -1.301100      -1.266800     -0.2984000    
 O    3.597300     -0.2977000      0.2435000    
 O   -3.623900     -0.1739000      0.2506000    
 O    1.312900      -3.091200      -2.300700    
 O   5.5399999E-02  -4.645500      -1.231500    
 O    3.049100      -1.823000       1.870700    
 O   -2.719700      -1.473600       1.911300    
 N    1.933200      -1.752700     -0.1626000    
 C    1.007600      -2.833500      6.8300001E-02
 C  -0.2763000      -2.352400      0.7491000    
 C   0.7287000      -3.622400      -1.200200    
 C    4.617200      0.2358000       1.095500    
 C    5.308800       1.362400      0.3856000    
 C    2.875800      -1.338300      0.7573000    
 C   -5.708100      0.9885000      0.3483000    
 C   -4.756500      9.2699997E-02   1.085400    
 C    6.422000       1.098000     -0.4046000    
 C    4.830000       2.660500      0.5238000    
 C   -5.582700       2.368600      0.4623000    
 C   -6.706500      0.4307000     -0.4425000    
 C   -2.662200     -0.9831000      0.7897000    
 C    7.064800       2.145200      -1.064700    
 C    5.472800       3.707600     -0.1366000    
 C    6.590200       3.449900     -0.9308000    
 C   -6.467100       3.201500     -0.2230000    
 C   -7.590800       1.263600      -1.127900    
 C   -7.471000       2.649100      -1.018100    
 H    1.510600      -3.535800      0.7458000    
 H  -0.8849000      -3.221900       1.022600    
 H  -3.0099999E-02  -1.812000       1.670200    
 H    1.883700      -1.254700      -1.046600    
 H    4.168100      0.5953000       2.029900    
 H    5.337700     -0.5522000       1.348300    
 H   -4.426100      0.5732000       2.014800    
 H   -5.251200     -0.8502000       1.350000    
 H    6.798700      8.5199997E-02 -0.5177000    
 H    3.959200       2.872200       1.138000    
 H   -4.802800       2.809600       1.077000    
 H   -6.807400     -0.6470000     -0.5368000    
 H    7.934500       1.944600      -1.683700    
 H    5.103100       4.723600     -3.3000000E-02
 H    7.090500       4.265200      -1.445100    
 H   -6.373600       4.280300     -0.1381000    
 H   -8.372200      0.8336000      -1.747600    
 H   -8.159400       3.297600      -1.552000    
 H    1.125900      -3.618800      -3.106200    


%chk=000093842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093842

0 1
S -1.116565 -0.385320 0.736295
O 3.758404 -0.105238 0.182638
O -3.725192 -0.149052 0.609376
O 0.524085 -2.293136 -2.102647
O -0.746219 -3.794232 -0.862838
O 3.061734 -1.525922 1.938293
O -3.064445 -2.147149 1.643164
N 1.883454 -1.367562 -0.081062
C 0.886127 -2.367718 0.304194
C -0.110844 -1.858880 1.375462
C 0.128562 -2.908841 -0.909375
C 4.899487 0.341520 1.053410
C 5.726189 1.314431 0.250379
C 2.907112 -1.046360 0.781044
C -6.029427 0.535426 0.205607
C -5.178766 -0.524199 0.852042
C 6.844319 0.863993 -0.495372
C 5.395913 2.693135 0.229949
C -6.357362 1.721677 0.909993
C -6.515122 0.360742 -1.114740
C -2.802189 -1.066188 1.078583
C 7.617554 1.773142 -1.251354
C 6.165648 3.605081 -0.525380
C 7.279107 3.146313 -1.267848
C -7.152630 2.718607 0.304035
C -7.312414 1.355413 -1.723194
C -7.632398 2.536763 -1.014393
H 1.405682 -3.230743 0.771773
H -0.837953 -2.642904 1.647721
H 0.451985 -1.530184 2.261383
H 1.854325 -0.964986 -1.019227
H 4.470036 0.800399 1.961799
H 5.472251 -0.553851 1.352415
H -5.318524 -0.579562 1.945862
H -5.337507 -1.526760 0.419014
H 7.106977 -0.200845 -0.484445
H 4.532012 3.049490 0.803874
H -5.984148 1.864866 1.931201
H -6.265695 -0.553889 -1.666234
H 8.480821 1.414185 -1.822618
H 5.901652 4.668390 -0.533516
H 7.879437 3.853287 -1.851513
H -7.399936 3.631767 0.856344
H -7.683890 1.210237 -2.743507
H -8.252222 3.308435 -1.484511
H -0.005228 -2.655979 -2.862473


