%chk=000116498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116498

0 1
 S  -0.9881000       1.959000     -0.2692000    
 S   0.9966000       1.950500      0.2637000    
 S   -2.555700      -1.455400      -1.243200    
 S    2.546600      -1.465700       1.227600    
 O   -2.739300     -0.5378000      -2.552300    
 O    2.721800     -0.5566000       2.544000    
 O   -3.281300      -2.745400      -1.494000    
 O    3.270600      -2.757300       1.474900    
 C   -3.138700      0.5022000      0.6601000    
 C    3.151200      0.5029000     -0.6579000    
 C   -1.668700      0.6973000      0.8480000    
 C    1.673500      0.7005000     -0.8552000    
 C   -3.645900     -0.4295000     -0.2455000    
 C    3.643400     -0.4335000      0.2438000    
 C   -4.010500       1.282300       1.419900    
 C    4.018900       1.289000      -1.408000    
 C   -5.024700     -0.5811000     -0.3915000    
 C    5.021300     -0.5861000      0.3979000    
 C   -5.389300       1.130700       1.274000    
 C    5.396900       1.136300      -1.254200    
 C   -5.896500      0.1989000      0.3683000    
 C    5.898000      0.1987000     -0.3512000    
 H   -1.479900       1.020700       1.879700    
 H   -1.120200     -0.2435000      0.7368000    
 H    1.493800       1.029400      -1.886800    
 H    1.126700     -0.2423000     -0.7539000    
 H   -3.632300       2.014200       2.129000    
 H    3.643900       2.024900      -2.114300    
 H   -5.445100      -1.296100      -1.093800    
 H    5.437000      -1.305600       1.098400    
 H   -6.068200       1.738500       1.864900    
 H    6.079700       1.747900      -1.836700    
 H   -6.970200      8.2099997E-02  0.2538000    
 H    6.970900      8.1100002E-02 -0.2304000    
 H   -2.749200      -1.096900      -3.364400    
 H    2.725900      -1.120800       3.352500    


%chk=000116498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116498

0 1
S -1.127415 2.318408 -0.097390
S 1.134236 2.317856 0.087189
S -2.003063 -1.903537 -0.284344
S 1.990916 -1.916863 0.269656
O -1.015752 -0.772803 -1.438116
O 1.010799 -0.787275 1.430575
O -2.866768 -2.963615 -1.179307
O 2.846505 -2.989271 1.157720
C -3.028094 0.567643 0.923430
C 3.031676 0.554568 -0.920927
C -1.621690 1.007705 1.240509
C 1.628304 1.000366 -1.243676
C -3.341791 -0.611784 0.199108
C 3.337884 -0.629428 -0.201052
C -4.123878 1.394289 1.298721
C 4.132222 1.378672 -1.287906
C -4.656491 -0.981737 -0.131273
C 4.649738 -1.006550 0.132602
C -5.452435 1.049057 0.968732
C 5.457995 1.026772 -0.953718
C -5.722933 -0.136017 0.246803
C 5.720958 -0.162964 -0.236647
H -1.566178 1.525866 2.209790
H -0.858757 0.212822 1.194642
H 1.578337 1.514834 -2.215291
H 0.862419 0.208358 -1.197688
H -3.917786 2.317400 1.853236
H 3.932117 2.304822 -1.839527
H -4.817842 -1.916012 -0.684086
H 4.805232 -1.944863 0.680255
H -6.275610 1.703055 1.275757
H 6.285049 1.679013 -1.253996
H -6.752169 -0.406488 -0.010540
H 6.748123 -0.438920 0.023143
H -1.603080 -0.021253 -1.743844
H 1.612120 -0.058625 1.762262


