%chk=000081358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081358

0 1
 S   -5.560600     -0.2559000      -1.067700    
 O    3.291000     -0.3344000      0.1277000    
 O    2.190700       2.189500     -0.1726000    
 O    1.634000      -2.507500      0.5807000    
 O   -2.736300       1.448000      0.8560000    
 N   -3.056500     -0.7019000      2.2100000E-02
 C    1.940500     -0.1628000      0.2022000    
 C    1.390300       1.109900      5.0400000E-02
 C    1.109100      -1.259400      0.4296000    
 C  -0.8228000      0.1894000      0.3534000    
 C   8.6000003E-03   1.286000      0.1261000    
 C  -0.2726000      -1.083400      0.5052000    
 C   -2.263000      0.3728000      0.4344000    
 C    3.924800      4.2900000E-02  -1.092400    
 C    1.547600       3.454300     -0.3163000    
 C    1.791800      -3.291400     -0.6002000    
 C   -4.116800     -0.4959000     -0.4386000    
 H  -0.4700000       2.252400      8.6000003E-03
 H  -0.9024000      -1.949300      0.6945000    
 H    4.326200       1.056600      -1.008500    
 H    3.247600     -2.9800000E-02  -1.950600    
 H    4.762800     -0.6399000      -1.261400    
 H   0.8953000       3.478500      -1.195900    
 H    1.025800       3.749300      0.6005000    
 H    2.334300       4.197100     -0.4854000    
 H    2.467100      -2.797100      -1.305400    
 H   0.8211000      -3.471300      -1.073200    
 H    2.226300      -4.254000     -0.3169000    


%chk=000081358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081358

0 1
S -5.981674 -1.456971 0.488800
O 3.061929 -0.611943 -0.082045
O 2.286177 2.073670 -0.163501
O 1.008021 -2.663953 0.008229
O -2.918634 1.936869 0.153651
N -3.379640 -0.347559 0.260054
C 1.710147 -0.255809 -0.129697
C 1.266720 1.110849 -0.123785
C 0.734443 -1.295528 -0.042511
C -1.053654 0.377151 0.057035
C -0.099807 1.424568 -0.042132
C -0.637700 -0.970016 0.058934
C -2.483468 0.753631 0.156287
C 3.977641 -0.074027 -1.115736
C 1.888040 3.482308 -0.046238
C 2.203038 -3.228992 -0.646619
C -4.518593 -0.781167 0.358806
H -0.463084 2.455306 -0.032264
H -1.361727 -1.785795 0.126080
H 4.003593 1.025327 -1.077741
H 3.660396 -0.417146 -2.119659
H 4.961810 -0.497777 -0.865612
H 1.255417 3.792134 -0.899485
H 1.349987 3.662867 0.903116
H 2.831742 4.046660 -0.055617
H 3.113456 -3.009028 -0.068985
H 2.311638 -2.840702 -1.677398
H 2.007684 -4.312226 -0.675669


