%chk=000019079.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019079

0 1
 S   -3.378000     -0.4647000     -0.3886000    
 O   -6.257100     -0.9131000      0.6021000    
 C    1.893100     -0.3106000     -0.2374000    
 C    3.183900      0.4404000      0.1018000    
 C   0.6251000      0.4877000      7.4100003E-02
 C    4.449600     -0.3846000     -0.1403000    
 C  -0.6340000     -0.3176000     -0.2622000    
 C    5.701300      0.3859000      0.2824000    
 C   -1.893200      0.4975000      1.7700000E-02
 C    6.960200     -0.4424000      8.0200002E-02
 C   -4.620900      0.7711000      5.2800000E-02
 C   -6.029900      0.2501000     -0.1826000    
 H    1.903900     -0.5776000      -1.301400    
 H    1.870500      -1.252500      0.3248000    
 H    3.149600      0.7444000       1.155500    
 H    3.230900       1.361900     -0.4915000    
 H   0.6325000       1.421400     -0.5011000    
 H   0.6145000      0.7611000       1.136100    
 H    4.387900      -1.322100      0.4255000    
 H    4.517000     -0.6511000      -1.201900    
 H  -0.6409000      -1.239900      0.3322000    
 H  -0.6028000     -0.6091000      -1.319700    
 H    5.626000      0.6698000       1.338600    
 H    5.781400       1.312400     -0.2980000    
 H   -1.888900       1.412700     -0.5837000    
 H   -1.930600      0.7778000       1.075600    
 H    7.082900     -0.7187000     -0.9719000    
 H    6.925500      -1.360700      0.6752000    
 H    7.842600      0.1278000      0.3869000    
 H   -4.460900       1.676900     -0.5400000    
 H   -4.492800       1.016700       1.112200    
 H   -6.193900     -4.4000000E-03  -1.234900    
 H   -6.770600       1.005500      9.8999999E-02
 H   -6.126400     -0.6683000       1.534100    


%chk=000019079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019079

0 1
S -3.452783 -0.540419 -0.220601
O -6.575261 -0.949514 0.208709
C 1.932179 -0.353217 -0.105302
C 3.232278 0.437065 0.165365
C 0.651630 0.474793 0.146691
C 4.514220 -0.386169 -0.093349
C -0.644376 -0.327066 -0.121757
C 5.814363 0.405408 0.175959
C -1.909843 0.514228 0.113710
C 7.090757 -0.423770 -0.083450
C -4.753679 0.781960 0.171722
C -6.137740 0.346189 -0.323855
H 1.934249 -0.713662 -1.155118
H 1.914494 -1.260011 0.534648
H 3.232538 0.793975 1.216799
H 3.247280 1.346731 -0.471253
H 0.667757 1.378394 -0.498057
H 0.651022 0.838118 1.195631
H 4.502219 -1.295797 0.543208
H 4.515654 -0.743552 -1.144519
H -0.668672 -1.219869 0.534394
H -0.638666 -0.699214 -1.165638
H 5.811608 0.763636 1.225831
H 5.826088 1.313180 -0.461611
H -1.937025 1.386543 -0.565162
H -1.955713 0.871468 1.159004
H 7.130328 -0.772259 -1.132893
H 7.121679 -1.318357 0.567037
H 8.005099 0.166675 0.111022
H -4.455584 1.716707 -0.338536
H -4.755686 0.962590 1.263949
H -6.128876 0.205099 -1.417087
H -6.873760 1.143072 -0.075474
H -6.450277 -0.959254 1.191582


