%chk=000097461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097461

0 1
 S    1.740700     -0.2630000      1.3200000E-02
 S    3.179100       1.255300     -3.5999998E-02
 O    3.091800       2.001700       1.203800    
 O    3.084000       1.931000      -1.315200    
 C   -4.882400      0.4089000      7.5199999E-02
 C   -6.090100     -0.5313000      6.6900000E-02
 C   -3.569200     -0.3768000      7.0600003E-02
 C   -7.404800      0.2514000      3.3399999E-02
 C   -2.325700      0.5148000      6.2000002E-03
 C   -8.609500     -0.6914000     -7.8999996E-03
 C   -1.010700     -0.2706000      2.6200000E-02
 C   -9.952900      4.1099999E-02 -1.1600000E-02
 C   0.1870000      0.6758000     -6.0000001E-03
 C   -11.15110     -0.8889000     -0.1239000    
 C    4.694000      0.3477000     -1.7600000E-02
 C    5.286300     -4.4399999E-02  -1.218000    
 C    5.298700      2.4100000E-02   1.197100    
 C    7.088200      -1.083800      1.0800000E-02
 C    6.483300     -0.7601000      -1.203800    
 C    6.495800     -0.6916000       1.211200    
 C    8.367500      -1.850100      2.5699999E-02
 H   -4.920700       1.055800      0.9597000    
 H   -4.919300       1.061500     -0.8055000    
 H   -6.035200      -1.190800     -0.8078000    
 H   -6.064100      -1.171500      0.9570000    
 H   -3.519200     -0.9997000      0.9722000    
 H   -3.558300      -1.060700     -0.7872000    
 H   -7.472600      0.8952000      0.9185000    
 H   -7.424000      0.9064000     -0.8460000    
 H   -2.369000       1.125200     -0.9044000    
 H   -2.343400       1.210400      0.8545000    
 H   -8.542100      -1.321200     -0.9038000    
 H   -8.574000      -1.366300      0.8563000    
 H  -0.9843000     -0.9468000     -0.8373000    
 H  -0.9773000     -0.8910000      0.9306000    
 H   -10.04610      0.6330000      0.9066000    
 H   -9.978200      0.7484000     -0.8492000    
 H   0.1606000       1.292800     -0.9101000    
 H   0.1689000       1.343000      0.8618000    
 H   -12.08160     -0.3130000     -0.1203000    
 H   -11.18020      -1.590100      0.7161000    
 H   -11.11100      -1.466800      -1.052600    
 H    4.829500      0.1921000      -2.174800    
 H    4.851700      0.3148000       2.143500    
 H    6.935400      -1.059900      -2.145600    
 H    6.957600     -0.9376000       2.163700    
 H    9.218000      -1.161800     -6.9999998E-04
 H    8.446100      -2.470800      0.9248000    
 H    8.434400      -2.524000     -0.8352000    


%chk=000097461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097461

0 1
S 2.022041 1.028476 3.008529
S 3.291715 2.002556 1.126248
O 4.515169 2.925044 1.677971
O 2.141367 2.626921 0.135732
C -4.298603 0.571938 0.538433
C -5.251343 -0.520740 0.003811
C -2.915448 0.024148 0.956965
C -6.638636 0.022872 -0.406767
C -1.959769 1.119713 1.481571
C -7.589703 -1.069567 -0.945109
C -0.586267 0.554728 1.918672
C -8.978132 -0.526642 -1.354495
C 0.351964 1.666996 2.416267
C -9.920627 -1.625003 -1.892529
C 4.052975 0.519289 0.251512
C 3.284444 -0.165909 -0.702307
C 5.371646 0.171995 0.583642
C 5.211831 -1.667843 -1.054407
C 3.882561 -1.265655 -1.354790
C 5.942815 -0.934767 -0.082337
C 5.848655 -2.837413 -1.781737
H -4.770998 1.076157 1.407446
H -4.164655 1.353592 -0.238529
H -4.781303 -1.021637 -0.868561
H -5.380756 -1.305195 0.779060
H -3.050868 -0.750475 1.740751
H -2.446127 -0.487708 0.090949
H -7.110032 0.520716 0.466592
H -6.510276 0.809709 -1.179718
H -1.810599 1.886441 0.693508
H -2.436482 1.639242 2.338904
H -7.119931 -1.567212 -1.819534
H -7.719199 -1.857205 -0.173052
H -0.109236 0.030581 1.067379
H -0.735670 -0.201034 2.714759
H -9.447055 -0.030702 -0.480033
H -8.848617 0.261013 -2.124914
H 0.586143 2.378745 1.592412
H -0.076465 2.242146 3.256031
H -10.905065 -1.211220 -2.179265
H -10.092273 -2.408143 -1.129761
H -9.487253 -2.116171 -2.784384
H 2.267173 0.160422 -0.940488
H 5.933055 0.754305 1.321106
H 3.307674 -1.818104 -2.106802
H 6.970525 -1.229970 0.157907
H 6.368384 -2.493335 -2.696888
H 6.597513 -3.348006 -1.152081
H 5.095336 -3.581687 -2.092571


