%chk=000006793.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006793

0 1
 S    2.610000      0.3702000     -7.7500001E-02
 O    2.746400       1.055700       1.397300    
 O    3.651200     -0.6366000     -0.1830000    
 O    2.485500       1.427100      -1.064300    
 N   -3.828300     -0.5652000      4.8599999E-02
 C  -0.1663000      0.2096000     -2.6200000E-02
 C   -1.366600     -0.5396000      2.0999999E-03
 C    1.064700     -0.4663000     -4.3699998E-02
 C   -2.597600      0.1359000      1.9300001E-02
 C  -0.2325000       1.612400     -3.6300000E-02
 C   -1.300600      -1.942500      1.1800000E-02
 C    1.111800      -1.860700     -3.3100002E-02
 C  -6.8700001E-02  -2.597500     -5.7000001E-03
 C   -2.644700       1.530300      9.3000000E-03
 C   -1.464300       2.267100     -1.8600000E-02
 H   0.6364000       2.257700     -8.0000004E-03
 H   -2.185400      -2.571100      3.3399999E-02
 H    2.047400      -2.411300     -4.2500000E-02
 H  -3.1500001E-02  -3.683100      3.1000001E-03
 H   -3.596300       2.055800      2.5500000E-02
 H   -1.502400       3.352700     -1.5200000E-02
 H   -3.875200      -1.572500      5.4000001E-02
 H   -4.693500     -3.9999999E-02  5.8899999E-02
 H    2.761900      0.4271000       2.156800    


%chk=000006793-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006793

0 1
S 2.694762 0.268579 -0.039446
O 2.637933 0.838332 1.732870
O 3.842107 -0.863697 -0.193916
O 2.779051 1.591780 -0.970398
N -3.917336 -0.567615 0.015561
C -0.205508 0.202945 -0.013686
C -1.440711 -0.577028 -0.012395
C 1.002433 -0.568577 -0.031063
C -2.711284 0.128339 0.011385
C -0.255171 1.630467 0.001667
C -1.366548 -2.005423 -0.029131
C 1.073632 -1.956091 -0.044728
C -0.147604 -2.688476 -0.048275
C -2.714442 1.538546 0.029665
C -1.499107 2.269217 0.023940
H 0.667716 2.213181 -0.018317
H -2.283283 -2.605670 -0.029045
H 2.045185 -2.460159 -0.056729
H -0.121811 -3.781888 -0.061996
H -3.670180 2.075581 0.047472
H -1.541562 3.363722 0.035305
H -3.963479 -1.580237 0.002567
H -4.794183 -0.054774 0.031464
H 3.450789 1.404146 1.883229


