%chk=000076828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076828

0 1
 S   -1.680800       2.795300      8.2800001E-02
 S   -3.444900      -2.260400      8.2699999E-02
 S    4.344000      -1.016000     -9.7900003E-02
 O    1.091600       2.841900      1.4400000E-02
 O   -1.303100       3.347900      -1.404700    
 O   -3.816000      -2.516700      -1.488600    
 O   -3.124900       2.858700      0.2144000    
 O  -0.8088000       3.438200       1.047400    
 O    4.783600      -1.183300       1.467800    
 O   -2.982900      -3.530800      0.6227000    
 O   -4.555700      -1.552300      0.6995000    
 O    4.297900      -2.353200     -0.6713000    
 O    5.176300      1.7899999E-02 -0.6929000    
 C   9.0999998E-02  0.6100000      2.1000000E-02
 C   0.3137000     -0.7874000      3.7000000E-03
 C   -1.226500       1.095100      5.7399999E-02
 C   -2.089800      -1.159300      5.9500001E-02
 C  -0.7876000      -1.658700      2.3300000E-02
 C   -2.308800      0.2150000      7.6499999E-02
 C    1.192300       1.481300      1.4000000E-03
 C    1.631300      -1.272600     -3.2699998E-02
 C    2.713500     -0.3924000     -5.1600002E-02
 C    2.494500      0.9818000     -3.4699999E-02
 H  -0.6159000      -2.733100      2.3000001E-03
 H   -3.333600      0.5706000      8.9199997E-02
 H    1.802200      -2.347300     -3.8500000E-02
 H    3.337600       1.668200     -4.1200001E-02
 H    1.975600       3.245800     -4.8000002E-03
 H   -1.413400       4.319100      -1.534200    
 H   -4.571700      -3.129700      -1.647500    
 H    5.692400      -1.536400       1.613800    


%chk=000076828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076828

0 1
S -1.755940 2.941673 0.239708
S -3.478798 -2.320876 0.143862
S 4.506247 -1.153053 -0.138436
O 1.068238 2.826101 -0.174195
O -1.305757 3.599700 -1.434087
O -3.770936 -2.267984 -1.684188
O -3.379912 2.883264 0.230752
O -1.028400 3.752036 1.418669
O 4.729921 -1.178421 1.700027
O -2.954673 -3.790010 0.565480
O -4.727919 -1.625364 0.895001
O 4.480686 -2.670590 -0.691572
O 5.498207 -0.044844 -0.773565
C 0.173616 0.631016 0.006526
C 0.380989 -0.810093 0.011792
C -1.179433 1.095711 0.078834
C -2.015979 -1.143556 0.085874
C -0.746612 -1.690517 0.047363
C -2.280459 0.246044 0.107289
C 1.335978 1.479616 -0.089477
C 1.705983 -1.352919 -0.021425
C 2.763325 -0.462202 -0.073728
C 2.629273 0.942807 -0.114764
H -0.605170 -2.776787 0.054782
H -3.301599 0.642563 0.170504
H 1.869961 -2.434735 -0.020881
H 3.519387 1.576542 -0.196827
H 1.863096 3.412310 -0.174879
H -2.147126 4.051377 -1.747133
H -4.617838 -2.765948 -1.879824
H 5.644745 -1.535661 1.897718


