%chk=000013755.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013755

0 1
 S    1.843500      -2.010700     -0.4249000    
 O    3.037800      -2.721700      1.5900001E-02
 O    1.314800      -2.283500      -1.755800    
 O   -3.870500      0.8514000      0.3634000    
 N   0.6077000      -2.262200      0.7490000    
 N   -1.357200      -1.576600     -0.3686000    
 N    2.932400       3.817000      3.3399999E-02
 N   -2.472300     -0.8045000     -0.4689000    
 C    2.162900     -0.2995000     -0.2903000    
 C    3.131900      0.1610000      0.6015000    
 C    1.449500      0.6072000      -1.074300    
 C  -0.5554000      -1.417700      0.6989000    
 C    2.673700       2.434600     -7.4600004E-02
 C    3.387100       1.528000      0.7093000    
 C    1.704900       1.974300     -0.9664000    
 C  -0.7937000     -0.5140000       1.706600    
 C   -1.928200      0.2717000       1.604600    
 C   -2.739600      9.4599999E-02  0.5019000    
 C   -4.661900      0.6179000     -0.7968000    
 C   -5.867600       1.532800     -0.7636000    
 H   0.9456000      -2.454300       1.701600    
 H    3.694400     -0.5259000       1.227500    
 H   0.6896000      0.2720000      -1.774500    
 H    4.143300       1.874600       1.409000    
 H    1.141800       2.670900      -1.582300    
 H  -0.1255000     -0.4088000       2.554300    
 H   -2.165900       1.002200       2.370000    
 H    3.633400       4.151600      0.6810000    
 H    2.414100       4.474800     -0.5336000    
 H   -4.076900      0.8283000      -1.700200    
 H   -5.004800     -0.4236000     -0.8170000    
 H   -6.499400       1.379600      -1.643100    
 H   -6.464700       1.351400      0.1362000    
 H   -5.554900       2.581700     -0.7316000    


%chk=000013755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013755

0 1
S 1.807806 -1.599714 0.052287
O 2.977850 -2.462489 0.790314
O 1.065353 -2.173034 -1.269592
O -4.615351 0.058409 0.464013
N 0.564776 -1.462480 1.494219
N -1.014619 -0.261637 0.233318
N 4.008828 3.933992 -0.971377
N -2.302073 0.131698 -0.032002
C 2.440051 0.125145 -0.233315
C 3.708490 0.438585 0.289061
C 1.668351 1.030517 -0.984390
C -0.774823 -1.157465 1.246947
C 3.488838 2.669775 -0.723635
C 4.233031 1.717704 0.039097
C 2.201719 2.305830 -1.229473
C -1.831663 -1.711246 2.043088
C -3.134626 -1.292272 1.784035
C -3.323174 -0.356293 0.725614
C -4.803543 1.020696 -0.663206
C -6.301930 1.291637 -0.745934
H 0.787400 -2.229928 2.144358
H 4.269035 -0.309291 0.858859
H 0.669886 0.746795 -1.329512
H 5.221564 1.984719 0.429802
H 1.619336 3.031794 -1.808188
H -1.617558 -2.439314 2.831755
H -3.994372 -1.663553 2.346809
H 4.922409 4.202237 -0.616806
H 3.488274 4.614104 -1.517991
H -4.215845 1.932023 -0.449353
H -4.399046 0.564715 -1.585059
H -6.507162 2.001592 -1.567844
H -6.860758 0.360774 -0.943024
H -6.676555 1.730576 0.194724


