%chk=000039900.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039900

0 1
 S    2.970300      -1.624800      0.7877000    
 S   -2.211300      0.3633000     -0.7891000    
 O   0.9437000     -9.6699998E-02   1.401100    
 O   -1.556000       2.748300      0.1263000    
 N    2.640800       1.005600      0.2547000    
 N   6.4900003E-02   1.561900      -1.052200    
 C   0.7171000      -2.775300     -0.4798000    
 C    2.007200       2.318700      0.2445000    
 C   -4.873100     -0.1380000      2.9200001E-02
 C    1.135100       2.520400     -0.9832000    
 C    1.640100      -2.846200      0.7487000    
 C    3.949800      0.9452000     -0.3981000    
 C   -3.730500      0.8921000      3.1599998E-02
 C    2.040400     -0.1172000      0.8465000    
 C    1.473500      -2.946700      -1.798900    
 C  -0.4524000      -3.758800     -0.3989000    
 C   -6.165400      0.4100000      0.6385000    
 C   -4.481400      -1.457900      0.6968000    
 C    5.068800       1.235200      0.5877000    
 C   -1.181500       1.760900     -0.4929000    
 H   0.2605000      -1.778800     -0.5083000    
 H    2.775900       3.096800      0.3049000    
 H    1.389200       2.403400       1.146400    
 H   -5.105000     -0.3683000      -1.020300    
 H    1.721100       2.413400      -1.902000    
 H   0.7076000       3.528800     -0.9693000    
 H    2.107300      -3.836700      0.7927000    
 H    1.048600      -2.743200       1.665500    
 H    4.112800     -1.6799999E-02 -0.8905000    
 H    3.972600       1.689800      -1.203000    
 H   -3.490500       1.151400       1.069600    
 H   -4.077500       1.808500     -0.4596000    
 H    2.195600      -2.141600      -1.964200    
 H   0.7800000      -2.932200      -2.647000    
 H    2.011100      -3.900600      -1.822400    
 H   -1.035300      -3.592200      0.5131000    
 H   -1.126800      -3.638300      -1.253400    
 H  -9.4800003E-02  -4.793700     -0.3895000    
 H   0.2371000      0.6845000      -1.533700    
 H   -6.481700       1.321400      0.1205000    
 H   -6.977500     -0.3202000      0.5585000    
 H   -6.027600      0.6522000       1.697600    
 H   -3.665900      -1.959400      0.1672000    
 H   -5.329000      -2.152000      0.7087000    
 H   -4.167200      -1.295100       1.733400    
 H    4.960900       2.232700       1.026000    
 H    5.084400      0.5147000       1.410800    
 H    6.038300       1.193000      8.1400000E-02


%chk=000039900-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039900

0 1
S 2.723075 -1.413276 -0.674421
S -2.293259 0.197550 1.566809
O 1.890441 -0.450281 1.768283
O -1.828533 2.715167 0.466298
N 2.570586 1.182520 0.250116
N -0.042653 1.707699 1.588851
C 0.386656 -2.982364 -0.025965
C 2.363305 2.235112 1.276797
C -3.862344 -0.093901 -0.834683
C 0.920242 2.786067 1.307250
C 1.908325 -2.884543 0.208894
C 3.013846 1.600496 -1.101278
C -3.851768 0.569309 0.558816
C 2.336095 -0.124130 0.623516
C 0.038409 -3.260924 -1.504734
C -0.189277 -4.083838 0.900336
C -5.087944 0.424571 -1.629182
C -3.869282 -1.636352 -0.747109
C 4.548488 1.701899 -1.232161
C -1.328334 1.758835 1.116941
H -0.066572 -2.016868 0.274508
H 3.060462 3.066457 1.068436
H 2.624118 1.808211 2.261275
H -2.943580 0.229082 -1.364091
H 0.645606 3.254126 0.343923
H 0.864731 3.580158 2.080259
H 2.446337 -3.768084 -0.179316
H 2.139183 -2.742102 1.277762
H 2.612056 0.884422 -1.840014
H 2.544133 2.578902 -1.314830
H -4.695640 0.224621 1.182235
H -3.874025 1.670601 0.473871
H 0.459812 -2.483706 -2.168036
H -1.057305 -3.276814 -1.649900
H 0.438472 -4.242845 -1.825495
H 0.012841 -3.861156 1.964023
H -1.284632 -4.159395 0.771586
H 0.247608 -5.073357 0.663176
H 0.323126 0.845164 2.017169
H -5.063238 1.524739 -1.734909
H -5.109351 -0.016313 -2.642949
H -6.032915 0.148688 -1.122217
H -2.994380 -2.004953 -0.180122
H -3.843052 -2.088730 -1.755922
H -4.785517 -1.994557 -0.238085
H 4.968503 2.416501 -0.501053
H 5.020691 0.718378 -1.066489
H 4.820753 2.050714 -2.244868


