%chk=000129881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129881

0 1
 S   -1.406100      -1.853700      -1.334400    
 O   -1.593200      -3.275200      -1.552000    
 O   -1.262900     -0.9528000      -2.462200    
 N   0.1095000     -0.2453000      0.1514000    
 N  -0.1177000      -1.618900     -0.2488000    
 C    1.729500       1.400400      0.8913000    
 C    3.240900       1.650000      0.9126000    
 C    3.965600      0.4915000       1.582500    
 C    1.361200      3.5000001E-03  0.3779000    
 C    3.689600     -0.7830000      0.8338000    
 C    2.438900      -1.019400      0.2385000    
 C    1.019800       2.502600      0.1220000    
 C    4.687900      -1.764900      0.7525000    
 C    2.220200      -2.210300     -0.4663000    
 C   0.7084000       3.701200      0.7586000    
 C   0.6843000       2.308100      -1.215200    
 C    4.459100      -2.952400      5.9799999E-02
 C    3.229600      -3.170800     -0.5541000    
 C   5.6800000E-02   4.712600      5.2800000E-02
 C   3.2699998E-02   3.319500      -1.921100    
 C  -0.2811000       4.521700      -1.287000    
 C   -2.764100      -1.270500     -0.3653000    
 C   -3.117900      6.6200003E-02 -0.4321000    
 C   -3.449400      -2.161200      0.4428000    
 C   -4.891700     -0.3575000       1.152500    
 C   -4.189900      0.5262000      0.3327000    
 C   -4.521500      -1.701300       1.207500    
 C   -6.038600      0.1339000       1.969200    
 H    1.356800       1.421400       1.926600    
 H    3.464800       2.579500       1.450600    
 H    3.620100       1.780400     -0.1106000    
 H    3.641500      0.3771000       2.623600    
 H    5.040800      0.7058000       1.588900    
 H    5.655700      -1.604700       1.221300    
 H    1.444500      -2.417200      -1.189800    
 H   0.9677000       3.861200       1.801600    
 H   0.9449000       1.401400      -1.753000    
 H    5.244900      -3.698200     -1.4600000E-02
 H    3.074700      -4.070700      -1.143400    
 H  -7.0400000E-02  -2.287000      0.5343000    
 H  -0.1870000       5.648900      0.5462000    
 H  -0.2234000       3.174200      -2.966500    
 H  -0.7868000       5.309800      -1.837100    
 H   -2.581300      0.7712000      -1.059500    
 H   -3.171800      -3.209000      0.5041000    
 H   -4.469000       1.575300      0.2809000    
 H   -5.060800      -2.399600       1.842200    
 H   -6.969300      4.8200000E-02   1.399600    
 H   -6.139600     -0.4420000       2.895500    
 H   -5.898400       1.181300       2.257400    


%chk=000129881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129881

0 1
S -2.004553 -1.922373 -1.837237
O -2.209673 -3.540233 -1.765342
O -2.310980 -1.068124 -3.176474
N 0.166006 -0.562201 -0.746271
N -0.059127 -1.707340 -1.439473
C 1.204992 1.064279 0.698396
C 2.560828 1.392648 1.381265
C 3.111036 0.155892 2.125683
C 1.266373 -0.276292 -0.064335
C 3.372720 -0.963180 1.131952
C 2.466950 -1.143018 0.036302
C 0.730527 2.232403 -0.168993
C 4.505516 -1.799525 1.240305
C 2.759026 -2.139338 -0.943531
C -0.304817 3.086810 0.282060
C 1.354572 2.517886 -1.410609
C 4.768064 -2.803472 0.280519
C 3.898452 -2.959622 -0.823212
C -0.709639 4.203929 -0.485291
C 0.951449 3.628511 -2.181769
C -0.081926 4.478721 -1.721131
C -2.916401 -1.121535 -0.395946
C -3.090907 0.272525 -0.399786
C -3.405015 -1.963072 0.616549
C -4.329457 0.038295 1.723801
C -3.802852 0.843039 0.678084
C -4.119410 -1.366067 1.678124
C -5.131000 0.662948 2.851155
H 0.459012 0.925922 1.509194
H 2.412883 2.239261 2.076362
H 3.293518 1.721412 0.619484
H 2.371319 -0.167029 2.888351
H 4.039976 0.405820 2.669678
H 5.193335 -1.656638 2.082533
H 2.124525 -2.230955 -1.831377
H -0.800112 2.871802 1.238002
H 2.146020 1.856670 -1.784336
H 5.650802 -3.444165 0.382497
H 4.110175 -3.711927 -1.590469
H 0.197892 -2.623009 -0.999214
H -1.512404 4.855882 -0.121569
H 1.436505 3.829856 -3.143627
H -0.396612 5.339664 -2.321520
H -2.688745 0.886815 -1.210275
H -3.250781 -3.045762 0.558219
H -3.951823 1.928715 0.702803
H -4.523223 -1.999435 2.476391
H -6.206460 0.702710 2.590637
H -5.041745 0.081574 3.785217
H -4.806311 1.697824 3.056426


