%chk=000178277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178277

0 1
 S   0.2920000      -1.113600     -0.2063000    
 O    1.361100       1.770700      0.1283000    
 O   0.1353000      -1.645500      -1.545100    
 O  -1.7500000E-02  -1.880300      0.9837000    
 O   -3.436200      -1.035700      -1.641300    
 O   -3.094000      -1.363800       1.984300    
 C  -0.6400000      0.3559000     -0.1263000    
 C   -2.029500      0.2695000     -0.2191000    
 C    1.954000     -0.6135000     -5.9599999E-02
 C   9.7000003E-03   1.572500      2.7400000E-02
 C   -2.750200      -1.029100     -0.3842000    
 C    2.254700      0.7337000      8.4799998E-02
 C   -2.789500       1.434600     -0.1557000    
 C  -0.7659000       2.735200      8.9800000E-02
 C    2.949400      -1.591000     -9.1200002E-02
 C   -3.765800      -1.302600      0.7342000    
 C   -2.158300       2.667700     -1.0000000E-03
 C    3.598800       1.104300      0.2008000    
 C    4.283100      -1.208200      2.5200000E-02
 C    4.608600      0.1393000      0.1713000    
 H   -2.096000      -1.898300     -0.4121000    
 H   -3.872600       1.411000     -0.2367000    
 H  -0.2899000       3.705600      0.2093000    
 H    2.701200      -2.642200     -0.2047000    
 H   -4.562900     -0.5535000      0.7854000    
 H   -4.259300      -2.265500      0.5610000    
 H   -2.748900       3.578000      4.5899998E-02
 H    3.870500       2.151200      0.3155000    
 H    5.068500      -1.957800      2.4000001E-03
 H    5.648300      0.4399000      0.2623000    
 H   -2.810500     -0.7426000      -2.326100    
 H   -2.794300     -0.4663000       2.206500    


%chk=000178277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178277

0 1
S 0.354710 -1.280063 0.142697
O 1.444191 1.739663 0.481409
O -0.025182 -2.120177 -1.227513
O 0.232728 -2.080924 1.558187
O -2.670862 -1.468679 -1.574333
O -4.451390 -0.808491 1.640405
C -0.624208 0.330623 0.186945
C -2.036990 0.249673 0.074493
C 2.086421 -0.613977 -0.072906
C 0.051940 1.559055 0.358711
C -2.732616 -1.107602 -0.156170
C 2.383584 0.742730 0.166540
C -2.757739 1.466766 0.116540
C -0.695213 2.756650 0.423997
C 3.087098 -1.543020 -0.418796
C -4.224227 -1.109168 0.222710
C -2.093477 2.702566 0.298508
C 3.726092 1.176700 0.081720
C 4.422495 -1.104567 -0.510073
C 4.735871 0.253834 -0.248814
H -2.226851 -1.873126 0.470826
H -3.843405 1.457140 -0.021961
H -0.157044 3.698933 0.557239
H 2.815144 -2.584741 -0.616880
H -4.791893 -0.429466 -0.446580
H -4.612631 -2.128058 0.078408
H -2.671694 3.631259 0.333961
H 3.944900 2.231887 0.268075
H 5.212079 -1.812470 -0.777567
H 5.773367 0.596672 -0.313264
H -1.747920 -1.842207 -1.730194
H -4.053379 0.072188 1.862379


