%chk=000085358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085358

0 1
 S   -2.818800      -2.306300     -0.2757000    
 O    2.747300       2.892000     -0.1232000    
 C   0.6023000     -2.2600001E-02 -4.8000000E-02
 C  -0.8038000     -0.3383000     -7.3299997E-02
 C    1.595700      -1.042100      5.5999998E-03
 C   0.9877000       1.327500     -8.6300001E-02
 C   -1.780000      0.7125000     -7.7600002E-02
 C   -1.156000      -1.704000     -0.1033000    
 C    3.041000     -0.6892000      5.2900001E-02
 C   -3.256400      0.4507000      1.1600000E-02
 C    3.441300      0.6565000      1.2300000E-02
 C    2.416700       1.713500     -7.0799999E-02
 C    1.169000      -2.375500      6.5000001E-03
 C   4.6399999E-02   2.346400     -0.1552000    
 C   -1.306400       2.038400     -0.1515000    
 C  -0.1774000      -2.700900     -5.6699999E-02
 C   -3.799800     -0.8437000     -7.6499999E-02
 C    4.072700      -1.646300      0.1399000    
 C    4.794000       1.031900      5.1199999E-02
 C   -4.188500       1.497700      0.2186000    
 C   -5.192100      -1.058700      1.6000000E-03
 C    5.422900      -1.279000      0.1798000    
 C    5.783500      6.0100000E-02  0.1345000    
 C   -5.568600       1.280700      0.2992000    
 C   -6.072900     -1.4000000E-03  0.1846000    
 H    1.867300      -3.206000      3.9299998E-02
 H   -1.979300       2.888500     -0.2105000    
 H   0.3385000       3.392100     -0.2039000    
 H  -0.4481000      -3.755300     -7.8100003E-02
 H    3.862700      -2.711100      0.1816000    
 H    5.092300       2.076500      1.8900000E-02
 H   -3.872900       2.530200      0.3391000    
 H   -5.605600      -2.063100     -7.4100003E-02
 H    6.189400      -2.045900      0.2468000    
 H    6.830200      0.3464000      0.1654000    
 H   -6.240400       2.119600      0.4560000    
 H   -7.141400     -0.1808000      0.2461000    


%chk=000085358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085358

0 1
S -2.848875 -2.374113 -0.103566
O 2.776119 3.004322 -0.026436
C 0.614386 -0.024189 -0.001590
C -0.808004 -0.355138 -0.011179
C 1.623655 -1.056866 0.021260
C 1.010752 1.357988 -0.019838
C -1.802685 0.705053 -0.015117
C -1.149872 -1.751921 -0.020457
C 3.056476 -0.691946 0.035774
C -3.269939 0.446839 0.030689
C 3.451735 0.683679 0.021499
C 2.439727 1.769141 -0.009355
C 1.203956 -2.401509 0.027493
C 0.029428 2.361767 -0.057589
C -1.338162 2.042495 -0.055296
C -0.160968 -2.748269 0.003106
C -3.838966 -0.859567 -0.010382
C 4.091073 -1.673860 0.064560
C 4.825141 1.045035 0.035540
C -4.204980 1.526074 0.127587
C -5.239098 -1.075903 0.018183
C 5.447925 -1.307653 0.078416
C 5.824701 0.061349 0.063874
C -5.593854 1.325154 0.158511
C -6.122745 0.013112 0.097854
H 1.935414 -3.213146 0.047259
H -2.047545 2.870531 -0.090822
H 0.367593 3.402554 -0.085434
H -0.452091 -3.803817 0.000255
H 3.843021 -2.739086 0.076684
H 5.065749 2.112776 0.023190
H -3.841849 2.553782 0.190618
H -5.627342 -2.099807 -0.017775
H 6.218236 -2.086643 0.100555
H 6.882893 0.342654 0.074704
H -6.264585 2.187102 0.233829
H -7.203926 -0.156976 0.120197


