%chk=000121077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121077

0 1
 S   -1.000100      -2.318100      6.7900002E-02
 O   -1.974300      -3.165600     -0.6095000    
 O  -0.3912000      -2.796600       1.303000    
 O   0.2619000      0.5421000      -2.464000    
 O    3.770100     -3.7400000E-02   1.613600    
 N   0.2340000      -1.912000      -1.063600    
 N    1.962900       1.362600      -1.128600    
 N   -3.591200       2.926700       1.132600    
 N    2.846500       1.220800     -0.1044000    
 C   -1.761000     -0.7779000      0.3801000    
 C    1.134900     -0.8424000     -0.7280000    
 C   -2.834800     -0.3582000     -0.4050000    
 C   -1.294900      3.2900002E-02   1.415000    
 C   -3.442600      0.8722000     -0.1552000    
 C   -1.902800       1.263300       1.664900    
 C   -2.976600       1.682900      0.8796000    
 C    2.027100     -0.9949000      0.3115000    
 C    1.129000      0.3430000      -1.424000    
 C    2.867500      6.4000003E-02  0.5910000    
 C   0.3300000       1.801400      -3.124200    
 C    4.605900       1.091200       1.847400    
 H  -5.0000001E-02  -1.927600      -2.052300    
 H   -3.209400     -0.9692000      -1.221300    
 H  -0.4626000     -0.2733000       2.042100    
 H   -4.277300       1.189000     -0.7754000    
 H   -1.530600       1.885900       2.474500    
 H    2.088100      -1.912000      0.8870000    
 H   -4.369100       3.232100      0.5630000    
 H   -3.253000       3.515400       1.882100    
 H   8.9000002E-02   2.618400      -2.435900    
 H  -0.4178000       1.802600      -3.922900    
 H    1.313100       1.952600      -3.582200    
 H    4.011200       1.969200       2.120900    
 H    5.233600       1.301500      0.9751000    
 H    5.264400      0.8539000       2.688200    


%chk=000121077-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121077

0 1
S -1.265082 -1.833319 -0.320605
O -2.228310 -2.529184 -1.429466
O -0.396006 -2.687084 0.754604
O 1.340324 0.139463 -3.400100
O 3.300522 0.744704 1.657511
N -0.129179 -0.867055 -1.414424
N 3.013796 0.966996 -1.937817
N -4.406948 2.350671 2.717869
N 3.524368 1.132885 -0.659144
C -2.216075 -0.532705 0.614172
C 1.062575 -0.259586 -1.054034
C -3.272600 0.123230 -0.045622
C -1.878541 -0.279128 1.956215
C -4.004762 1.089175 0.662326
C -2.615244 0.687807 2.659690
C -3.683608 1.392240 2.023078
C 1.584111 -0.111458 0.238514
C 1.858009 0.314181 -2.119880
C 2.810566 0.600229 0.368956
C 2.146169 0.683017 -4.514287
C 4.589017 1.456952 1.796781
H -0.314343 -1.047184 -2.409277
H -3.525444 -0.129631 -1.080184
H -1.076375 -0.844098 2.442062
H -4.832256 1.611902 0.169495
H -2.369903 0.899958 3.706267
H 1.114799 -0.547985 1.120636
H -5.171326 2.852832 2.274781
H -4.187883 2.571892 3.685284
H 2.263264 1.774249 -4.404568
H 1.572635 0.429421 -5.417669
H 3.145531 0.216347 -4.527942
H 4.507694 2.486999 1.410045
H 5.384300 0.932165 1.240769
H 4.786108 1.449602 2.878960


