%chk=000022936.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022936

0 1
 S  -5.8899999E-02  -4.015600     -0.1819000    
 O   -1.279700       2.606000     -0.5449000    
 O   -4.679700      -1.336300      0.6560000    
 O  -0.7434000      -4.734200      -1.478900    
 O    1.372000      -3.956400     -0.4299000    
 O  -0.5839000      -4.644800       1.017400    
 O    6.621400      2.4700001E-02   1.876000    
 N   0.7264000      0.9677000     -0.8601000    
 N   -2.865700      -3.164800      0.4037000    
 N    6.259600       1.277700     -8.8100001E-02
 C   -1.567100      0.2728000     -0.2443000    
 C   -2.455100     -0.7584000      6.9100000E-02
 C  -0.2295000     -2.1600001E-02 -0.5344000    
 C   -2.005500      -2.084100      9.2100002E-02
 C  -0.6717000      -2.373100     -0.1978000    
 C   -3.442000       1.972500      3.6100000E-02
 C   -4.329900      0.9413000      0.3498000    
 C   -2.028300       1.675800     -0.2728000    
 C   -3.869000     -0.4618000      0.3777000    
 C   0.2143000      -1.344100     -0.5104000    
 C   -3.891500       3.298200      1.3300000E-02
 C   -5.667400       1.235800      0.6406000    
 C    2.116800       1.046600     -0.6659000    
 C   -5.225100       3.587300      0.3037000    
 C   -6.111200       2.558300      0.6165000    
 C    2.911800       1.761300      -1.565000    
 C    2.709600      0.4093000      0.4271000    
 C    4.880000       1.200900     -0.2803000    
 C    4.291200       1.838200      -1.372700    
 C    4.089000      0.4863000      0.6195000    
 C    7.022900      0.7087000      0.9401000    
 C    8.489500       1.026100      0.7891000    
 H    1.242000      -1.576000     -0.7728000    
 H   0.3406000       1.755000      -1.372700    
 H   -3.222700       4.120100     -0.2275000    
 H   -6.380200      0.4537000      0.8879000    
 H   -2.537300      -4.119500      0.3871000    
 H   -3.838400      -2.998100      0.6190000    
 H   -5.573300       4.616000      0.2858000    
 H   -7.149000       2.786200      0.8421000    
 H    2.465700       2.261700      -2.420900    
 H    2.116100     -0.1325000       1.158900    
 H    4.895400       2.398200      -2.082100    
 H    4.471200     -2.7400000E-02   1.490600    
 H  -0.5126000      -4.339100      -2.352500    
 H    6.766100       1.817000     -0.7873000    
 H    8.862700      0.6095000     -0.1507000    
 H    9.050900      0.5890000       1.619600    
 H    8.637200       2.109700      0.7931000    


%chk=000022936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022936

0 1
S -0.027283 -4.058196 -0.143258
O -1.280631 2.701798 -0.445739
O -4.889940 -1.386033 0.487396
O -0.382183 -4.296070 -1.948487
O 1.570827 -4.030916 0.083843
O -0.941206 -5.118390 0.686938
O 6.977631 -0.276830 1.429041
N 0.685497 1.078478 -0.401031
N -3.005153 -3.145280 0.418584
N 6.364262 1.322629 -0.177309
C -1.635323 0.329751 -0.104758
C -2.580316 -0.740108 0.109983
C -0.221488 0.049230 -0.220178
C -2.142031 -2.118423 0.172953
C -0.731016 -2.325026 -0.033761
C -3.539571 2.013110 -0.019291
C -4.468077 0.959381 0.214983
C -2.102400 1.722437 -0.200681
C -4.016550 -0.451931 0.278906
C 0.197915 -1.318857 -0.222006
C -3.998049 3.355019 -0.084126
C -5.844478 1.259697 0.383130
C 2.100474 1.050089 -0.328300
C -5.363912 3.643996 0.086498
C -6.290479 2.592624 0.321025
C 2.817494 1.988841 -1.121430
C 2.833893 0.202054 0.546151
C 4.947575 1.196178 -0.190732
C 4.216738 2.062163 -1.050609
C 4.238354 0.263897 0.614130
C 7.296710 0.616983 0.591870
C 8.751737 1.009471 0.344962
H 1.243849 -1.578601 -0.410989
H 0.192624 2.000181 -0.541080
H -3.262458 4.143554 -0.267887
H -6.534405 0.429313 0.559786
H -2.652199 -4.101169 0.541788
H -3.999540 -2.870606 0.528777
H -5.714775 4.680371 0.038637
H -7.353490 2.820809 0.453050
H 2.267553 2.652289 -1.797535
H 2.311459 -0.483988 1.219868
H 4.747972 2.793403 -1.673205
H 4.793230 -0.385898 1.292841
H -0.084607 -5.219632 -2.198785
H 6.746349 2.026129 -0.813120
H 9.312903 0.115411 0.022838
H 9.197765 1.347892 1.295988
H 8.883052 1.802576 -0.411669


