%chk=000095893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095893

0 1
 S   -6.291700      -1.066600     -8.0700003E-02
 S    6.285200     -0.9893000     -4.8000002E-03
 O   -6.685400      -1.296500       1.489500    
 O    5.916000      -2.581600     -4.6599999E-02
 O   -7.271900     -0.1428000     -0.6330000    
 O   -6.077400      -2.370900     -0.6881000    
 O    6.956100     -0.6764000      -1.258300    
 O    6.927100     -0.7082000       1.270000    
 N   -1.022200       1.686600      1.4900000E-02
 N    1.060200       1.823600      3.0900000E-02
 N   0.1273000      0.9920000      4.9000001E-03
 C   -4.744600     -0.2579000     -5.2000001E-02
 C    4.747900     -0.1621000      5.5999998E-03
 C   -2.264400       1.038300     -8.6000003E-03
 C   -4.686300       1.135500     -2.4100000E-02
 C   -3.566700      -1.005200     -5.8400001E-02
 C   -3.450200       1.781500     -2.6000000E-03
 C   -2.330700     -0.3592000     -3.6699999E-02
 C    4.141700      0.1982000      -1.197900    
 C    4.126300      0.1393000       1.217400    
 C    2.291800       1.161000      2.2299999E-02
 C    2.913800      0.8599000      -1.189400    
 C    2.898100      0.8007000       1.225800    
 H   -5.590400       1.737600     -1.1600000E-02
 H   -3.587400      -2.091200     -7.2200000E-02
 H   -3.419400       2.868100      2.0900000E-02
 H   -1.433500     -0.9729000     -4.0300000E-02
 H    4.604000     -3.2200001E-02  -2.153500    
 H    4.575300     -0.1379000       2.166900    
 H    2.448700       1.135600      -2.132400    
 H    2.420900       1.030000       2.175100    
 H  -0.9911000       2.698400      3.6300000E-02
 H   -6.792500     -0.4742000       2.023200    
 H    5.415800      -2.878800     -0.8429000    


%chk=000095893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095893

0 1
S -6.637193 -0.753523 0.654040
S 6.566844 -0.832465 0.429773
O -6.776710 0.067199 2.317154
O 6.741176 -1.788861 -1.154760
O -7.730169 -0.090539 -0.338525
O -6.581690 -2.355148 0.876752
O 7.640514 0.378006 0.420600
O 6.514557 -1.881684 1.660465
N -1.146549 1.381655 -0.688087
N 1.056707 1.413404 -0.753142
N 0.006833 0.736422 -0.350756
C -4.940177 -0.099503 0.259507
C 4.854580 -0.180836 0.065006
C -2.409509 0.860479 -0.357840
C -4.844576 1.119466 -0.432216
C -3.823257 -0.856541 0.654777
C -3.560886 1.599851 -0.746490
C -2.541947 -0.372748 0.339113
C 4.745784 1.049172 -0.603067
C 3.753135 -0.944356 0.493856
C 2.308052 0.801796 -0.438166
C 3.449464 1.540466 -0.851806
C 2.464982 -0.442957 0.240104
H -5.745580 1.665085 -0.728156
H -3.955551 -1.806850 1.181092
H -3.452924 2.546441 -1.287831
H -1.647775 -0.929605 0.625527
H 5.639231 1.605432 -0.901640
H 3.907343 -1.890552 1.021841
H 3.296373 2.493273 -1.366747
H 1.579699 -1.000871 0.556213
H -1.057430 2.277462 -1.193917
H -7.661291 -0.192001 2.709273
H 7.638342 -2.234167 -1.142350


