%chk=000066610.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066610

0 1
 S   -4.698100      -2.237600      0.1539000    
 S    4.236500      -3.238600      0.2230000    
 O    3.608000       2.607000     -0.2842000    
 O   -2.826000       3.340900     -0.3330000    
 O   -5.342700      -2.606400      -1.300800    
 O    4.278600      -3.801000      -1.311600    
 O   -3.515000      -3.065700      0.3204000    
 O   -5.764000      -2.251400       1.140900    
 O  -4.0199999E-02 -0.8981000      2.6600000E-02
 O    5.543400      -3.501800      0.8076000    
 O    3.026500      -3.740700      0.8550000    
 O   -7.082900      4.8400000E-02  -1.144400    
 O   -7.079500      0.2400000       1.042400    
 O    6.686300       1.762300      -1.316500    
 O    6.689600       1.950900      0.8706000    
 N  -0.9484000       1.249200     -0.1573000    
 N    1.344300      0.9844000     -0.1383000    
 N   -6.484100      0.2440000     -6.0699999E-02
 N    6.193200       1.508400     -0.1922000    
 C   -2.341000      0.9997000     -0.1335000    
 C    2.628800      0.4366000     -9.3199998E-02
 C   -4.169000     -0.5734000      7.0000002E-03
 C    4.051700      -1.508700      7.2400004E-02
 C    3.756300       1.254800     -0.1668000    
 C   -2.798900     -0.3128000     -1.8200001E-02
 C   -3.253100       2.051400     -0.2224000    
 C   -5.081100      0.4781000     -8.3400004E-02
 C    2.776400     -0.9453000      2.6000001E-02
 C    5.031300      0.6913000     -0.1200000    
 C    5.179100     -0.6905000      9.9999997E-05
 C   -4.623100       1.790600     -0.1977000    
 C   9.8200001E-02  0.3165000     -7.8500003E-02
 C    3.540700       3.355800      0.9260000    
 C   -2.621900       4.061700      0.8803000    
 H   -2.133000      -1.156500      5.0200000E-02
 H    1.944100      -1.629500      7.3500000E-02
 H    6.176600      -1.122700      2.9200001E-02
 H   -5.328100       2.616300     -0.2686000    
 H  -0.6841000       2.226900     -0.2469000    
 H    1.304800       1.995900     -0.2335000    
 H    3.580400       4.418700      0.6720000    
 H    4.378400       3.126100       1.590500    
 H    2.596700       3.158800       1.443700    
 H   -2.244100       5.056400      0.6282000    
 H   -1.885100       3.558400       1.514200    
 H   -3.567100       4.173400       1.421000    
 H   -5.734500      -3.508400      -1.371100    
 H    4.382800      -4.777500      -1.398600    


%chk=000066610-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066610

0 1
S -4.753816 -2.513563 0.072361
S 4.515738 -3.406410 -0.030096
O 3.358984 2.507672 0.344240
O -2.555178 3.176088 0.304981
O -5.521419 -2.781652 -1.561207
O 4.112403 -3.590579 -1.829812
O -3.383606 -3.351785 0.006751
O -5.804971 -2.735531 1.274959
O -0.004807 -1.028261 0.069731
O 6.092588 -3.665264 0.207823
O 3.402069 -4.205354 0.825721
O -7.088292 -0.763639 -0.524711
O -7.283641 1.385979 0.188325
O 7.397448 1.089552 0.319375
O 6.114287 2.637430 -0.762277
N -0.940432 1.131009 0.205052
N 1.373973 0.877326 0.204412
N -6.575176 0.348229 -0.099110
N 6.266001 1.526478 -0.114824
C -2.303293 0.818838 0.157524
C 2.644306 0.273256 0.138221
C -4.233242 -0.659815 0.011746
C 4.198515 -1.561040 0.018448
C 3.758690 1.187531 0.177271
C -2.843562 -0.486975 0.073075
C -3.199485 1.940367 0.205808
C -5.112824 0.445711 0.036419
C 2.866449 -1.118156 0.055250
C 5.076156 0.667915 0.067036
C 5.312143 -0.726782 0.017527
C -4.583387 1.756257 0.146141
C 0.136752 0.220908 0.153678
C 4.183226 3.507457 1.064415
C -3.385476 4.390574 0.365069
H -2.177754 -1.356198 0.060017
H 2.018909 -1.808427 0.052168
H 6.333495 -1.115721 -0.034811
H -5.291506 2.587468 0.170701
H -0.756839 2.138659 0.270020
H 1.420691 1.900025 0.275102
H 3.454121 4.207259 1.499202
H 4.853418 4.015845 0.356470
H 4.769424 3.019571 1.863675
H -2.673338 5.223080 0.448742
H -4.045586 4.366086 1.251051
H -3.984809 4.497128 -0.557274
H -6.384339 -2.263550 -1.518389
H 4.014696 -4.568698 -2.022693


