%chk=000053121.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053121

0 1
 S    2.965900      -1.494400     -0.8018000    
 S   0.7031000      -3.399000     -0.3944000    
 P    3.712400      0.2126000      0.1623000    
 O    2.537200       1.291800      0.4557000    
 O   -2.285300     -0.8102000     -0.3174000    
 O    4.443400     -0.1686000       1.422400    
 O   -1.387400      -2.159900       1.320100    
 C   0.3402000       2.146900     -6.2899999E-02
 C    1.733100       1.798000     -0.5944000    
 C   -4.141500      0.7297000     -5.3199999E-02
 C  -0.5596000       2.625800      -1.200100    
 C   0.4134000       3.206000       1.039200    
 C   -3.234000     -0.3000000      0.6254000    
 C   -4.911400      0.1101000      -1.221500    
 C   -5.111000       1.335100      0.9596000    
 C    4.804400       1.070700     -0.9716000    
 C    1.883500      -2.286400      0.4134000    
 C  -0.4943000      -2.163600     -0.9508000    
 C   -1.412000      -1.744400      0.1700000    
 H  -0.1001000       1.244700      0.3800000    
 H    2.225300       2.686800      -1.004000    
 H    1.649800       1.061000      -1.398900    
 H   -3.515800       1.530700     -0.4639000    
 H  -0.1421000       3.511300      -1.691500    
 H   -1.554900       2.886200     -0.8270000    
 H  -0.6791000       1.842300      -1.955900    
 H   0.8707000       4.130600      0.6709000    
 H    1.002700       2.851500       1.891000    
 H  -0.5884000       3.448500       1.409900    
 H   -3.830500      -1.130600       1.022500    
 H   -2.690600      0.1736000       1.452100    
 H   -5.539300     -0.7222000     -0.8856000    
 H   -4.228900     -0.2682000      -1.989400    
 H   -5.560900      0.8539000      -1.695300    
 H   -5.766500      0.5703000       1.389900    
 H   -5.742100       2.095600      0.4877000    
 H   -4.566400       1.815500       1.779400    
 H    4.290700       1.320200      -1.903900    
 H    5.168300       1.996700     -0.5179000    
 H    5.667000      0.4435000      -1.213600    
 H    2.505200      -2.871700       1.096500    
 H    1.360500      -1.529300       1.004200    
 H   -1.106000      -2.626600      -1.731400    
 H   7.7000000E-03  -1.287500      -1.369600    


%chk=000053121-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053121

0 1
S 2.441832 -1.037978 -1.277796
S -0.314845 -1.984939 -2.406745
P 2.859713 -0.382490 0.938221
O 2.844343 1.348677 0.969986
O -2.937937 0.243642 -1.808341
O 1.859823 -1.129548 1.942247
O -1.232020 0.661935 -0.261636
C 1.686784 3.439346 0.429637
C 1.541102 2.070003 1.109535
C -4.781208 -0.766129 -0.476350
C 0.434599 4.290622 0.755462
C 1.893112 3.296400 -1.094287
C -3.994612 0.521246 -0.785472
C -3.873364 -1.854723 0.139309
C -5.960235 -0.410304 0.462396
C 4.683735 -0.654582 1.151109
C 0.846558 -2.011417 -0.935381
C -0.686480 -0.125724 -2.522874
C -1.609420 0.308127 -1.407560
H 2.577800 3.936268 0.864384
H 0.723911 1.482677 0.649504
H 1.341513 2.178088 2.191754
H -5.193425 -1.147887 -1.432209
H -0.482394 3.795462 0.382705
H 0.505152 5.283163 0.274852
H 0.319335 4.447278 1.844496
H 0.993626 2.855750 -1.566817
H 2.753796 2.641775 -1.315558
H 2.073837 4.282181 -1.560987
H -3.510128 0.927038 0.121570
H -4.639956 1.286426 -1.250127
H -3.417522 -1.500458 1.083231
H -3.058947 -2.140152 -0.550707
H -4.459225 -2.764627 0.363832
H -5.591679 -0.020114 1.430299
H -6.567443 -1.308668 0.673203
H -6.626889 0.351587 0.016064
H 5.225596 -0.064907 0.396565
H 4.971246 -0.326149 2.162155
H 4.898431 -1.725139 1.019323
H 1.093309 -3.072656 -0.788617
H 0.374108 -1.600681 -0.029618
H -1.148793 0.009463 -3.510851
H 0.279663 0.399117 -2.453708


