%chk=000110033.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110033

0 1
 S    5.469800      -1.753000     -0.1789000    
 S   -3.676200      -3.309100      2.3000000E-02
 O    6.304300      -1.453200       1.191200    
 O   -3.872200      -3.758200      -1.536700    
 O    5.194400      -3.178500     -0.2127000    
 O    6.145900      -1.093300      -1.280800    
 O   -2.305500      -3.634500      0.3893000    
 O   -4.794100      -3.837600      0.7890000    
 N  -0.4181000      0.9245000     -0.5275000    
 N   0.1448000      0.7793000      0.5812000    
 N   -5.458200       3.270000      0.2008000    
 C   -2.823900      0.6343000     -0.1607000    
 C   -4.096200       1.226100      2.3100000E-02
 C    3.823200      0.4783000      3.3900000E-02
 C    2.550400       1.069700      0.2162000    
 C    3.936700     -0.9214000      3.6600001E-02
 C   -1.703900       1.460400     -0.3413000    
 C    1.428700      0.2440000      0.3958000    
 C   -2.710800     -0.7655000     -0.1582000    
 C   -3.836000      -1.570300      2.3000000E-02
 C   -4.209300       2.626100      2.0500001E-02
 C   -5.218000      0.4008000      0.2039000    
 C    2.811600      -1.726600      0.2164000    
 C   -5.087200     -0.9882000      0.2036000    
 C    1.560000      -1.145000      0.3956000    
 C   -1.833000       2.848600     -0.3413000    
 C    4.944800       1.304100     -0.1457000    
 C    2.436800       2.469500      0.2134000    
 C   -3.084100       3.430700     -0.1606000    
 C    4.813500       2.693100     -0.1456000    
 C    3.561900       3.274700      3.3599999E-02
 H   -1.744200      -1.238000     -0.3129000    
 H   -6.219100      0.7955000      0.3476000    
 H    2.867800      -2.810700      0.2272000    
 H   -5.978300      -1.595000      0.3384000    
 H   0.6918000      -1.783500      0.5379000    
 H    5.957700      0.9338000     -0.2419000    
 H  -0.9648000       3.487000     -0.4837000    
 H    1.479300       2.964000      0.3568000    
 H   -3.168900       4.514700     -0.1633000    
 H    5.690000       3.321700     -0.2740000    
 H    3.461200       4.356200      3.7599999E-02
 H   -6.315300       2.756300      0.3361000    
 H   -5.496000       4.281400      0.1915000    
 H    5.892600      -1.792200       2.020700    
 H   -3.203300      -3.400500      -2.166900    


%chk=000110033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110033

0 1
S 5.682174 -1.822414 0.140796
S -4.143774 -3.478998 -0.197384
O 6.251848 -1.259159 1.823441
O -4.180893 -3.547043 -2.054445
O 5.286392 -3.389714 0.210015
O 6.795807 -1.341255 -0.933986
O -2.708631 -4.019502 0.314966
O -5.517171 -4.123875 0.365844
N -0.660029 0.572533 0.091223
N 0.437518 1.300085 0.090452
N -5.627530 3.298761 0.280748
C -3.088369 0.518973 0.077565
C -4.378611 1.171465 0.124122
C 4.152875 0.628195 -0.060567
C 2.867100 1.310204 -0.069336
C 4.109337 -0.790989 0.113448
C -1.867264 1.297756 0.136996
C 1.645876 0.543240 0.093086
C -3.036154 -0.906725 -0.035345
C -4.227367 -1.610754 -0.084976
C -4.424017 2.620410 0.232719
C -5.568258 0.373451 0.070119
C 2.939583 -1.530730 0.281291
C -5.512682 -1.017153 -0.036435
C 1.696969 -0.854799 0.265338
C -1.962072 2.706151 0.244166
C 5.353735 1.395068 -0.225275
C 2.843058 2.731492 -0.238062
C -3.207796 3.350915 0.291684
C 5.287505 2.779285 -0.387847
C 4.027506 3.453064 -0.394175
H -2.061130 -1.400124 -0.067471
H -6.558856 0.838634 0.111019
H 2.992576 -2.615822 0.416041
H -6.413382 -1.636413 -0.064401
H 0.763354 -1.407426 0.395682
H 6.320622 0.885647 -0.236644
H -1.033784 3.282776 0.293088
H 1.869406 3.227056 -0.240050
H -3.249595 4.443329 0.376771
H 6.210965 3.354458 -0.513168
H 3.995133 4.540416 -0.521754
H -6.522901 2.821986 0.238109
H -5.637725 4.313183 0.355918
H 7.130987 -1.705108 2.001539
H -4.121734 -4.510032 -2.323667


