%chk=000073303.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073303

0 1
 S  -0.3641000      0.4060000       1.316300    
 S   -6.881400      0.2838000      0.2905000    
 O    4.961400       1.938200      0.2883000    
 O    5.750100      -1.016500      -1.683000    
 O    2.258400       2.941200      -1.288900    
 O   0.9911000       3.198000      0.5974000    
 O   -7.931900     -0.2274000       1.150600    
 O   -6.221900       1.538100      0.5996000    
 N    3.152200      0.5743000     -0.3670000    
 N   -2.376500      -1.309500      -1.669900    
 N   -5.684800     -0.9433000      9.4499998E-02
 N   -7.495900      0.3689000      -1.309800    
 C    3.219000     -0.8739000     -8.3499998E-02
 C    4.671600     -0.5977000      0.4180000    
 C    1.950600      -1.147300      0.7522000    
 C    4.390300      0.8872000      0.1030000    
 C    1.212700      0.1779000      0.6735000    
 C    1.966600       1.098700      5.7399999E-02
 C    5.889400      -1.162100     -0.2689000    
 C    2.225500      -1.627700       2.167700    
 C   -1.284500     -0.8103000      0.3406000    
 C   -2.772400     -0.8109000      0.6486000    
 C   -3.383600      -1.442100     -0.6049000    
 C   -1.271300     -0.5026000      -1.145700    
 C    6.076800      -2.639500      6.0300000E-02
 C    1.670300       2.512200     -0.1505000    
 C   -4.717600     -0.8137000     -0.9864000    
 H    3.191200      -1.449200      -1.020200    
 H    4.774500     -0.7329000       1.504600    
 H    1.370500      -1.920000      0.2329000    
 H    6.784800     -0.6093000      3.7400000E-02
 H    1.297700      -1.896700       2.683200    
 H    2.870400      -2.512800       2.153900    
 H    2.729100     -0.8596000       2.764700    
 H  -0.8862000      -1.814300      0.5325000    
 H   -3.002100      -1.388700       1.550600    
 H   -3.145300      0.2118000      0.7921000    
 H   -3.531500      -2.514200     -0.4232000    
 H   -1.468900      0.5574000      -1.349100    
 H  -0.3320000     -0.7837000      -1.631100    
 H    5.218800      -3.228000     -0.2834000    
 H    6.960800      -3.039100     -0.4477000    
 H    6.189500      -2.794700       1.137800    
 H   -2.764400     -0.8823000      -2.509000    
 H   -5.120400      -1.305500      -1.879500    
 H   -4.564600      0.2443000      -1.231700    
 H    6.554200      -1.376200      -2.094800    
 H   -6.019300      -1.907700      0.2229000    
 H    2.079800       3.890500      -1.460500    
 H   -8.043500       1.211600      -1.530900    
 H   -7.981800     -0.4744000      -1.643900    


%chk=000073303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073303

0 1
S -0.416441 0.891742 0.756514
S -7.048698 0.401387 -0.061059
O 5.570366 1.664464 1.078452
O 5.775778 -0.914642 -1.713119
O 3.140831 3.731016 -0.258888
O 0.962915 3.558361 0.564340
O -7.978540 0.369618 1.264165
O -6.405156 1.734061 -0.712175
N 3.530615 0.952428 -0.087543
N -2.447015 -1.951800 -1.317086
N -5.655241 -0.708631 0.283453
N -8.006575 -0.403720 -1.439933
C 3.357662 -0.536073 -0.250879
C 4.752417 -0.725789 0.452750
C 1.975124 -0.830600 0.420114
C 4.791483 0.837296 0.576676
C 1.317274 0.572775 0.387042
C 2.269092 1.561666 0.179396
C 5.877446 -1.415343 -0.326109
C 2.035218 -1.367059 1.874524
C -1.224318 -0.753617 0.249024
C -2.682468 -0.797687 0.776586
C -3.451730 -1.680367 -0.260249
C -1.390456 -0.918599 -1.277573
C 5.777808 -2.952386 -0.289803
C 2.034149 3.007303 0.194224
C -4.715910 -0.957788 -0.827842
H 3.373341 -0.823251 -1.313933
H 4.675137 -1.171835 1.460311
H 1.415427 -1.551048 -0.202798
H 6.840589 -1.090466 0.124311
H 1.021999 -1.472949 2.300310
H 2.525142 -2.357727 1.900912
H 2.595998 -0.677237 2.530056
H -0.635273 -1.585664 0.664367
H -2.739737 -1.202875 1.798918
H -3.128037 0.213530 0.801510
H -3.777048 -2.636825 0.196602
H -1.672595 0.060886 -1.728744
H -0.471467 -1.273898 -1.776408
H 4.821868 -3.287904 -0.730623
H 6.599557 -3.414971 -0.867198
H 5.840723 -3.330095 0.747965
H -2.798687 -2.238550 -2.235869
H -5.169721 -1.572964 -1.635419
H -4.419823 0.020511 -1.246576
H 6.621364 -1.095232 -2.193480
H -6.033162 -1.548923 0.751791
H 2.936612 4.702627 -0.193149
H -8.077453 0.278116 -2.213839
H -8.928982 -0.684973 -1.066417


