%chk=000057618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057618

0 1
 S    3.700300     -0.8823000       1.694200    
 S    5.079100      -2.132300      -1.123000    
 O    1.528100      0.5716000      9.9100001E-02
 O   -4.382200      -1.360700      0.1271000    
 O   0.5471000       2.652100      5.4000001E-03
 C    3.901400      7.8699999E-02  0.1422000    
 C    2.821600       1.164700      8.7700002E-02
 C    3.804100     -0.8315000      -1.089100    
 C  -0.8109000      0.6935000      7.2800003E-02
 C   0.4760000       1.433900      5.4000001E-02
 C   -1.905600       1.242100     -0.5631000    
 C  -0.8722000     -0.5205000      0.7262000    
 C   -3.202400     -0.6828000      0.1085000    
 C   -3.114500      0.5465000     -0.5450000    
 C   -2.081100      -1.216300      0.7442000    
 C   -5.488800     -0.7568000     -0.5412000    
 H    4.885100      0.5611000      0.1735000    
 H    2.940800       1.754000     -0.8301000    
 H    2.922900       1.843900      0.9440000    
 H    3.922200     -0.2352000      -2.000600    
 H    2.826600      -1.323000      -1.150500    
 H   -1.847600       2.196600      -1.077900    
 H  -1.8600000E-02 -0.9511000       1.240400    
 H   -3.945200       1.017900      -1.058900    
 H   -2.144400      -2.171900       1.257700    
 H    2.469000      -1.344900       1.431900    
 H    4.707200      -2.678500      -2.290100    
 H   -5.303800     -0.6566000      -1.616200    
 H   -5.768300      0.1953000     -7.7500001E-02
 H   -6.343500      -1.431500     -0.4257000    


%chk=000057618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057618

0 1
S 3.816801 -0.585773 1.961859
S 5.369821 -2.222925 -0.546990
O 1.572373 0.511265 -0.033164
O -4.523918 -1.400714 -0.022708
O 0.605169 2.582922 -0.483842
C 3.962446 0.114649 0.196099
C 2.897941 1.183527 -0.065342
C 3.956779 -0.990327 -0.870445
C -0.821579 0.623401 -0.197185
C 0.466242 1.354113 -0.259051
C -2.016547 1.362501 -0.387530
C -0.902870 -0.777450 0.043782
C -3.340090 -0.665618 -0.095833
C -3.273920 0.732305 -0.338594
C -2.149228 -1.417474 0.093837
C -5.792689 -0.683919 -0.202621
H 4.950139 0.610019 0.209839
H 3.030756 1.654170 -1.058487
H 2.922907 1.972175 0.706130
H 4.119060 -0.543635 -1.867671
H 2.999893 -1.535033 -0.870407
H -1.939679 2.439111 -0.572675
H 0.015892 -1.352029 0.188875
H -4.181049 1.324764 -0.486713
H -2.234148 -2.492376 0.277919
H 2.497000 -0.984130 1.820690
H 5.645384 -2.452735 -1.888694
H -5.852409 -0.222631 -1.206803
H -5.927154 0.091421 0.575504
H -6.570922 -1.453574 -0.099780


