%chk=000004346.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004346

0 1
 S    1.676800     -0.1005000      -1.496700    
 O   0.3064000       3.697000      0.5914000    
 O   -1.551300       2.286500      0.1648000    
 O    2.097300       1.202100      -1.979300    
 O    1.246700      -1.109100      -2.447600    
 O   -4.781900     -0.6533000       1.596200    
 O   -5.479700      -2.043700     -0.2443000    
 N   0.4669000      0.1009000     -0.2834000    
 C   0.5727000       1.278900      0.6118000    
 C   6.6999998E-03  -1.111000      0.4423000    
 C  -0.1406000       2.479500     -1.2200000E-02
 C   -1.456200      -1.381700      0.2283000    
 C    3.030600     -0.7843000     -0.5822000    
 C   -2.398600     -0.8257000       1.096700    
 C   -1.863400      -2.193000     -0.8454000    
 C   -3.729300      -1.102700      0.8599000    
 C    3.975300      5.9599999E-02  1.8000000E-03
 C    3.152500      -2.167300     -0.4471000    
 C   -4.127900      -1.896700     -0.1910000    
 C   -3.217500      -2.457600      -1.063100    
 C    5.041800     -0.4794000      0.7211000    
 C    4.219100      -2.706300      0.2721000    
 C    1.552400       4.150200      7.9999998E-02
 C   -2.321500       3.067600     -0.7394000    
 C    5.164000      -1.862400      0.8562000    
 C   -5.887600      -1.252800      0.8906000    
 C    1.934000       5.437100      0.7800000    
 C   -3.791300       2.807000     -0.4877000    
 C    6.303600      -2.439000       1.626200    
 H   0.1180000       1.077200       1.589400    
 H    1.623300       1.482600      0.8287000    
 H   0.5474000      -1.998700      0.1045000    
 H   0.2355000      -1.052000       1.513600    
 H   6.1999999E-02   2.520800      -1.089600    
 H   -2.102000     -0.1991000       1.930800    
 H   -1.127300      -2.624000      -1.519300    
 H    3.900900       1.139200     -9.0800002E-02
 H    2.437400      -2.846500     -0.9019000    
 H   -3.535600      -3.082600      -1.889600    
 H    1.461900       4.334600     -0.9963000    
 H    2.337700       3.407200      0.2441000    
 H   -2.074100       2.794100      -1.771200    
 H   -2.102600       4.130500     -0.5898000    
 H    5.772200      0.1883000       1.170200    
 H    4.305700      -3.785400      0.3671000    
 H   -6.440700      -1.895100       1.585500    
 H   -6.554100     -0.4558000      0.5414000    
 H    1.163000       6.200400      0.6315000    
 H    2.020100       5.277200       1.859800    
 H    2.886600       5.819900      0.4030000    
 H   -4.027000       1.749300     -0.6437000    
 H   -4.053800       3.042300      0.5489000    
 H   -4.414800       3.407500      -1.156000    
 H    7.152600      -2.622100      0.9601000    
 H    6.624000      -1.761500       2.425000    
 H    6.020800      -3.384100       2.102400    


%chk=000004346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004346

0 1
S 2.180046 -0.652934 -1.494511
O 0.205868 3.721042 0.056571
O -0.924755 2.044060 1.258256
O 2.839329 0.592566 -2.309884
O 1.592369 -1.987775 -2.220253
O -5.140953 -0.559030 0.544220
O -5.495200 -1.323040 -1.701635
N 0.706406 0.085175 -0.610658
C 1.021140 1.387505 0.013553
C -0.092133 -0.918281 0.153807
C -0.216242 2.311130 0.035954
C -1.515859 -1.030172 -0.385409
C 3.467205 -1.248038 -0.237262
C -2.616939 -0.708863 0.458112
C -1.730974 -1.476852 -1.714548
C -3.896750 -0.860522 -0.078597
C 4.408874 -0.322651 0.244344
C 3.433933 -2.594099 0.163910
C -4.106188 -1.306123 -1.399411
C -3.039564 -1.618760 -2.247583
C 5.351174 -0.776485 1.192865
C 4.388584 -3.022099 1.112684
C 0.357353 4.302198 -1.294832
C -2.217150 2.767698 1.363790
C 5.354183 -2.124677 1.641776
C -6.168686 -1.068992 -0.401287
C 0.756526 5.766145 -1.117010
C -2.754476 2.543785 2.775384
C 6.394102 -2.604853 2.637369
H 1.396838 1.299606 1.055334
H 1.789970 1.870349 -0.615793
H 0.401322 -1.905970 0.064913
H -0.101378 -0.634550 1.223051
H -0.857071 2.130062 -0.859625
H -2.459431 -0.344926 1.476492
H -0.859804 -1.710923 -2.336612
H 4.422194 0.706102 -0.129740
H 2.707144 -3.284856 -0.275904
H -3.208228 -1.958567 -3.272581
H -0.603850 4.210672 -1.846379
H 1.132661 3.747936 -1.865374
H -2.913957 2.368444 0.596259
H -2.035813 3.841034 1.168502
H 6.097643 -0.075730 1.584263
H 4.386631 -4.067932 1.440751
H -6.574603 -2.023281 -0.013227
H -6.941066 -0.297635 -0.541980
H -0.016139 6.314341 -0.550608
H 1.708807 5.842604 -0.564707
H 0.881923 6.251436 -2.102050
H -2.923902 1.470986 2.973405
H -2.041222 2.928052 3.524549
H -3.717665 3.070527 2.903236
H 7.306647 -2.951256 2.114650
H 6.698098 -1.798896 3.327526
H 6.020127 -3.450587 3.239734


