%chk=000052852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052852

0 1
 S   -2.577500      0.2735000       1.972600    
 S  -0.3081000      -1.382000       3.286100    
 P   0.6902000       1.101000      -1.217000    
 P  -0.5897000      0.5939000       2.604600    
 O  -0.5660000      9.9299997E-02  -1.417500    
 O    1.984700      0.1294000      -1.287900    
 O   0.1288000      0.4383000       1.162900    
 O   0.7391000       2.242800      -2.192600    
 C   0.5701000       1.630200      0.5031000    
 C    1.909000       2.064300       1.116300    
 C    2.561700       3.289200      0.4771000    
 C   -1.849900      0.6578000      -1.635700    
 C    2.055100      -1.055600     -0.5150000    
 C   -2.857400     -0.4721000      -1.793900    
 C    3.093300      -1.983100      -1.130300    
 C    1.742400       4.561700      0.6225000    
 C   -4.265000      5.9500001E-02  -2.048600    
 C    3.210600      -3.291700     -0.3538000    
 C   -2.938600      -1.395200       2.601200    
 C   -1.689800      -2.256600       2.491000    
 C   -5.260100      -1.072200      -2.248900    
 C    4.217100      -4.232500     -0.9964000    
 H  -0.1927000       2.414800      0.5716000    
 H    2.628100       1.240800       1.076500    
 H    1.778000       2.268800       2.186200    
 H    3.535300       3.450000      0.9559000    
 H    2.766300       3.102100     -0.5821000    
 H   -1.818300       1.260400      -2.549900    
 H   -2.114300       1.316800     -0.8050000    
 H    1.080100      -1.552700     -0.4977000    
 H    2.342100     -0.8154000      0.5111000    
 H   -2.843600      -1.109500     -0.9019000    
 H   -2.543100      -1.118800      -2.623000    
 H    4.064000      -1.472800      -1.164400    
 H    2.823600      -2.184700      -2.174600    
 H    1.515200       4.764900       1.673700    
 H    2.299800       5.415700      0.2247000    
 H   0.7997000       4.494400      7.1500003E-02
 H   -4.587300      0.6784000      -1.203200    
 H   -4.266700      0.6995000      -2.938700    
 H    3.516300      -3.085700      0.6786000    
 H    2.234100      -3.788000     -0.3100000    
 H   -3.273200      -1.318300       3.641800    
 H   -3.757700      -1.829000       2.019400    
 H   -1.435700      -2.452500       1.443100    
 H   -1.841000      -3.221200       2.984800    
 H   -4.983700      -1.690400      -3.109000    
 H   -6.261800     -0.6690000      -2.428000    
 H   -5.305700      -1.714900      -1.363800    
 H    3.920500      -4.485100      -2.019400    
 H    4.286200      -5.162400     -0.4234000    
 H    5.212700      -3.778600      -1.029100    


%chk=000052852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052852

0 1
S -0.976168 1.773519 4.049437
S -0.213339 -1.527364 3.829783
P 0.237179 1.125145 -0.496133
P 0.930915 0.455875 3.752695
O -1.215621 0.284877 0.014305
O 1.326244 -0.088839 -1.078124
O 1.103153 0.505043 1.957350
O -0.024560 2.226911 -1.616683
C 0.912145 1.731364 1.182022
C 2.221238 2.525185 1.027654
C 2.055184 3.918673 0.367464
C -2.314192 0.195280 -0.996329
C 1.472791 -1.421109 -0.415064
C -2.082800 -0.939409 -2.003214
C 1.990740 -2.387493 -1.481363
C 1.237170 4.918554 1.215819
C -3.260379 -1.071104 -2.999069
C 2.245246 -3.799456 -0.899910
C -2.286261 0.387981 3.886592
C -1.786690 -0.788221 3.052783
C -3.035174 -2.201561 -4.026345
C 2.767791 -4.787468 -1.965088
H 0.098462 2.342261 1.623270
H 2.946185 1.915068 0.455702
H 2.640776 2.650213 2.047544
H 3.069267 4.330795 0.201782
H 1.590660 3.805518 -0.629979
H -2.403064 1.170777 -1.512389
H -3.216754 0.018551 -0.384897
H 0.494737 -1.742524 -0.009726
H 2.181196 -1.312139 0.425321
H -1.946408 -1.893747 -1.456717
H -1.147628 -0.744451 -2.563874
H 2.927847 -1.982384 -1.909337
H 1.257715 -2.444142 -2.309392
H 1.676787 5.043906 2.223936
H 1.214938 5.911059 0.730967
H 0.187466 4.595381 1.341766
H -4.200758 -1.258699 -2.441315
H -3.397052 -0.109622 -3.533662
H 2.976673 -3.729954 -0.069470
H 1.307560 -4.192983 -0.457088
H -2.551314 0.082453 4.910999
H -3.147075 0.874862 3.395012
H -1.550952 -0.495483 2.015159
H -2.520429 -1.614987 3.060664
H -2.122825 -2.015786 -4.622944
H -3.886455 -2.283695 -4.726357
H -2.915142 -3.179008 -3.522289
H 2.041186 -4.900781 -2.791452
H 2.947774 -5.788492 -1.532182
H 3.719213 -4.430854 -2.402134


