%chk=000155666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155666

0 1
 S   0.4721000      0.1535000      -1.515600    
 S    3.969500     -0.2237000      -1.574500    
 P    2.332800     -5.6499999E-02 -0.5053000    
 O    2.163700      -1.290500      0.5542000    
 O    2.423800       1.162700      0.5807000    
 O   -4.480100      0.1800000     -0.3656000    
 O   -3.053600     -6.7299999E-02   1.430900    
 C    2.457200      -2.620400      0.1589000    
 C    2.990700       2.409400      0.2131000    
 C  -0.7878000      3.1800002E-02 -0.2299000    
 C    1.308100      -3.158900     -0.6796000    
 C    2.701100      -3.468600       1.397700    
 C    3.464200       3.132800       1.464600    
 C    1.959000       3.221400     -0.5549000    
 C   -2.182800      0.1680000     -0.8291000    
 C   -3.256100      7.6399997E-02  0.2330000    
 C   -5.605200      0.1103000      0.5163000    
 C   -6.876500      0.2397000     -0.2951000    
 H    3.377300      -2.661300     -0.4282000    
 H    3.872800       2.272400     -0.4160000    
 H  -0.6860000     -0.9267000      0.2874000    
 H  -0.6100000      0.8209000      0.5085000    
 H   0.3482000      -3.029400     -0.1699000    
 H    1.444500      -4.224900     -0.8898000    
 H    1.245300      -2.646200      -1.642400    
 H    1.819900      -3.470300       2.048800    
 H    2.944200      -4.502400       1.134000    
 H    3.526400      -3.054400       1.986900    
 H    2.630800       3.303600       2.155100    
 H    3.921200       4.096900       1.221600    
 H    4.198400       2.523200       2.002400    
 H    1.002300       3.251400     -2.2299999E-02
 H    2.303400       4.248400     -0.7138000    
 H    1.771600       2.786100      -1.540000    
 H   -2.361900     -0.6338000      -1.555200    
 H   -2.289100       1.138800      -1.327500    
 H   -5.547600      0.9250000       1.246600    
 H   -5.597800     -0.8510000       1.042100    
 H   -6.890200       1.188600     -0.8414000    
 H   -6.939600     -0.5582000      -1.042500    
 H   -7.758600      0.1904000      0.3494000    


%chk=000155666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155666

0 1
S 0.431764 0.440682 -1.882074
S 4.009727 -0.301774 -1.868230
P 2.336947 -0.003096 -0.685867
O 1.854293 -1.260049 0.408954
O 2.390919 1.220556 0.540132
O -4.472347 -0.091418 -0.283170
O -3.077973 0.974579 1.252046
C 2.209176 -2.690119 0.090708
C 3.243607 2.445545 0.326290
C -0.788609 0.577824 -0.420578
C 1.218327 -3.268100 -0.928597
C 2.179480 -3.389567 1.452169
C 3.476407 2.979821 1.741973
C 2.531154 3.438359 -0.601926
C -2.190464 0.225312 -0.940071
C -3.247554 0.423510 0.140232
C -5.617901 0.063929 0.670722
C -6.836332 -0.559799 -0.000863
H 3.235858 -2.691819 -0.328054
H 4.197591 2.109333 -0.128157
H -0.454614 -0.124777 0.358763
H -0.742359 1.602054 -0.025748
H 0.186232 -3.209890 -0.538958
H 1.458602 -4.330117 -1.120811
H 1.262581 -2.724864 -1.888312
H 1.167468 -3.340576 1.890750
H 2.459417 -4.452354 1.332681
H 2.886930 -2.912441 2.150354
H 2.517238 3.262102 2.209922
H 4.125347 3.873869 1.702147
H 3.962055 2.216260 2.371868
H 1.546603 3.716370 -0.185793
H 3.139485 4.356342 -0.700980
H 2.378218 3.015862 -1.609889
H -2.235210 -0.817832 -1.300905
H -2.468415 0.861329 -1.803454
H -5.750230 1.141184 0.878537
H -5.348955 -0.438265 1.617464
H -7.067064 -0.050215 -0.951846
H -6.666615 -1.629478 -0.211308
H -7.715182 -0.471070 0.663477


