%chk=000027993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027993

0 1
 S   -5.543100      0.3864000      0.4994000    
 O    6.051400       1.286900      0.4431000    
 O   -4.658300     -0.2374000     -0.7386000    
 O   -7.073600     -6.0500000E-02  0.1492000    
 O   -5.157400     -0.2723000       1.733800    
 O   -5.480900       1.833200      0.4005000    
 C    3.764500      0.4720000      0.6452000    
 C    3.263800     -0.8738000      6.4199999E-02
 C    2.974800       1.683100      0.1167000    
 C    1.017300      0.2162000     -0.5749000    
 C    1.756500     -0.9723000      8.2999999E-03
 C    3.958000     -0.9808000      -1.299000    
 C    1.458400       1.484400      0.1830000    
 C    5.174900      0.5173000      6.7900002E-02
 C    5.379500     -0.5014000      -1.027300    
 C    3.800400      0.4441000       2.174400    
 C  -0.4976000      7.5999998E-02 -0.5995000    
 C    1.116700      -2.037100      0.5185000    
 C  -0.3694000      -2.183300      0.5626000    
 C   -1.141300      -1.051400     -6.0800001E-02
 C   -1.279400       1.074300      -1.208500    
 C   -2.542600      -1.142000     -0.1080000    
 C   -2.670100      0.9725000      -1.252700    
 C   -3.302400     -0.1341000     -0.6978000    
 H    3.659100      -1.691400      0.6866000    
 H    3.252000       1.893500     -0.9252000    
 H    3.247200       2.585800      0.6784000    
 H    1.323800      0.3067000      -1.626200    
 H    3.486900     -0.3376000      -2.051100    
 H    3.947100      -2.004200      -1.688400    
 H    1.132900       1.435400       1.230600    
 H   0.9836000       2.377200     -0.2407000    
 H    5.829900     -4.6100002E-02  -1.911900    
 H    6.007000      -1.311300     -0.6446000    
 H    2.804300      0.2851000       2.599600    
 H    4.454000     -0.3559000       2.541000    
 H    4.193400       1.384500       2.577100    
 H    1.689700      -2.855100      0.9481000    
 H  -0.6746000      -2.281400       1.611600    
 H  -0.6344000      -3.114300      4.6500001E-02
 H  -0.8069000       1.942500      -1.661500    
 H   -3.041200      -2.012600      0.3131000    
 H   -3.250700       1.759200      -1.726600    
 H   -7.354000      9.2900001E-02 -0.7834000    


%chk=000027993-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027993

0 1
S -5.872839 0.677104 0.687887
O 6.107265 1.400922 0.489162
O -4.673358 -0.437286 -0.679690
O -7.259876 0.403997 -0.482979
O -6.317465 0.030156 2.096032
O -5.391993 2.221021 0.649831
C 3.815215 0.448634 0.640223
C 3.315676 -0.890855 -0.004906
C 2.972561 1.662220 0.108191
C 1.021669 0.146547 -0.553519
C 1.804849 -1.034836 0.003456
C 4.000155 -0.914657 -1.414544
C 1.450901 1.434989 0.234548
C 5.235761 0.614026 0.049250
C 5.406087 -0.322408 -1.158515
C 3.842072 0.431058 2.181567
C -0.488025 -0.044316 -0.561461
C 1.194271 -2.114914 0.557145
C -0.300353 -2.306344 0.655652
C -1.116443 -1.186775 0.025817
C -1.296707 0.957384 -1.178330
C -2.520889 -1.280231 0.012048
C -2.691783 0.863223 -1.207094
C -3.322858 -0.277853 -0.612170
H 3.746847 -1.727175 0.583206
H 3.210637 1.856024 -0.958017
H 3.277542 2.567173 0.665542
H 1.335720 0.323384 -1.607410
H 3.444649 -0.286606 -2.135220
H 4.030956 -1.937110 -1.826959
H 1.150631 1.324261 1.293450
H 0.914999 2.317846 -0.161474
H 5.853575 0.211836 -2.014417
H 6.127582 -1.111935 -0.865758
H 2.821722 0.395141 2.602519
H 4.392614 -0.450485 2.558630
H 4.352387 1.333710 2.561409
H 1.812926 -2.917412 0.982911
H -0.588331 -2.414897 1.723274
H -0.583682 -3.271758 0.185986
H -0.807666 1.822052 -1.641338
H -3.032058 -2.138458 0.463573
H -3.314660 1.634466 -1.670097
H -6.811081 0.042037 -1.304713


