%chk=000072033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072033

0 1
 S  -0.8048000      0.3173000      -2.671700    
 O    5.299700      -1.289600      0.3438000    
 O    3.401100      0.7569000      9.2299998E-02
 O   -5.013100     -0.7376000     -0.9436000    
 O   0.6602000       1.264700       1.670800    
 O    2.951800       2.860000      0.9735000    
 N   -1.518100      0.3968000     -0.1882000    
 N   0.7571000       1.017200     -0.6875000    
 N   -6.041500     -0.9376000     -3.0500000E-02
 C    5.529000     -0.1757000     -0.5106000    
 C   -2.611400     -1.6799999E-02 -0.9240000    
 C   -3.902000     -0.3273000     -0.2821000    
 C    4.803700       1.033600      4.7499999E-02
 C   -4.164300     -0.2477000       1.059100    
 C   -5.510700     -0.6388000       1.158600    
 C  -0.5333000      0.5941000      -1.011600    
 C    5.940000      -2.460300     -0.1440000    
 C   -2.417700     -0.1194000      -2.285600    
 C    5.660200      -3.606800      0.8041000    
 C   -6.332300     -0.7409000       2.375200    
 C    1.209200       1.301000      0.5826000    
 C    2.637400       1.756900      0.5718000    
 H    6.603200      2.9500000E-02 -0.5744000    
 H    5.142800     -0.4087000      -1.509700    
 H    5.152700       1.238600       1.066300    
 H    4.986600       1.906500     -0.5889000    
 H   -3.491100      4.7200002E-02   1.851400    
 H    7.020700      -2.291500     -0.2101000    
 H    5.556500      -2.705000      -1.140900    
 H   -3.115500     -0.4189000      -3.055500    
 H    1.390900       1.117500      -1.476100    
 H    6.139800      -4.526500      0.4578000    
 H    6.026800      -3.374000       1.809400    
 H    4.582600      -3.781000      0.8909000    
 H   -5.759900     -0.4656000       3.267000    
 H   -7.198900     -7.4299999E-02   2.314500    
 H   -6.694800      -1.764900       2.512900    


%chk=000072033-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000072033

0 1
S -0.233269 -2.775685 0.931579
O 5.396802 -1.081492 -0.370531
O 3.444625 0.357157 1.314771
O -4.820810 -1.910173 0.505435
O 0.312280 2.034253 0.803324
O 3.160589 2.642967 0.882386
N -1.438790 -0.373839 0.758293
N 0.976370 -0.242766 0.962081
N -6.123986 -1.231722 0.373854
C 5.555795 0.322452 -0.000913
C -2.445002 -1.357094 0.698155
C -3.825575 -0.923832 0.565998
C 4.928907 0.514656 1.374185
C -4.406901 0.331468 0.481827
C -5.822559 0.092427 0.364603
C -0.243973 -0.904882 0.877573
C 5.950983 -1.379559 -1.703509
C -2.012295 -2.676865 0.773783
C 5.735150 -2.868038 -1.969166
C -6.932989 1.098308 0.240774
C 1.184436 1.148018 0.922686
C 2.690116 1.502586 1.027329
H 6.634674 0.594296 0.064050
H 5.078793 0.993730 -0.747393
H 5.256944 -0.275035 2.066651
H 5.157551 1.518601 1.771818
H -3.887447 1.285475 0.502093
H 7.033661 -1.122360 -1.722924
H 5.436173 -0.757105 -2.468506
H -2.618852 -3.578911 0.747902
H 1.834394 -0.798241 1.071400
H 6.136141 -3.143016 -2.961409
H 6.246458 -3.476446 -1.203613
H 4.659593 -3.113718 -1.946267
H -6.949342 1.773659 1.114770
H -6.798637 1.721303 -0.661527
H -7.907411 0.588324 0.172937


