%chk=000063266.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063266

0 1
 S    1.381600     -0.7897000      -1.220600    
 O   -2.382100       2.180300      0.5245000    
 N  -0.6109000      0.8083000     -0.1973000    
 N    3.683000      -3.603200      0.5605000    
 N   -1.041100      -1.503900     -0.6202000    
 C  -0.2387000     -0.4869000     -0.5982000    
 C   0.3300000       1.888100     -8.1600003E-02
 C   -2.873000     -6.0199998E-02  0.1179000    
 C    3.292600      -2.555800     -0.3785000    
 C   -1.947000       1.092500      0.1537000    
 C    1.877800      -2.083500     -6.7699999E-02
 C   -2.374800      -1.313000     -0.2434000    
 C    1.009200       2.079100       1.114200    
 C   0.5473000       2.726100      -1.167100    
 C   -4.220000      9.9299997E-02  0.4645000    
 C   -3.243800      -2.410500     -0.2542000    
 C    2.148500       3.974800      0.1421000    
 C    1.922600       3.127200       1.226600    
 C    1.460800       3.774200      -1.054800    
 C    5.053900      -4.043300      0.2983000    
 C    2.760500      -4.736100      0.4794000    
 C   -5.074600      -1.002100      0.4491000    
 C   -4.587000      -2.256800      9.1200002E-02
 C    3.125200       5.095100      0.2614000    
 H    3.359000      -2.916000      -1.414400    
 H    3.983800      -1.708500     -0.2800000    
 H    1.812800      -1.698500      0.9562000    
 H    1.150100      -2.890100     -0.1823000    
 H   0.8400000       1.422800       1.963600    
 H   1.5799999E-02   2.577200      -2.103100    
 H   -4.620000       1.068000      0.7506000    
 H   -2.878100      -3.394900     -0.5365000    
 H    2.453700       3.271700       2.163700    
 H    1.629300       4.426600      -1.907400    
 H    5.369100      -4.786200       1.039400    
 H    5.163700      -4.482700     -0.6999000    
 H    5.751500      -3.202600      0.3840000    
 H    1.794500      -4.512000      0.9421000    
 H    2.602300      -5.078000     -0.5499000    
 H    3.151000      -5.586500       1.052200    
 H   -6.120000     -0.8821000      0.7177000    
 H   -5.252300      -3.115200      7.8900002E-02
 H    2.831900       5.943400     -0.3664000    
 H    3.180700       5.463500       1.291500    
 H    4.120900       4.759600     -4.4900000E-02


%chk=000063266-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063266

0 1
S 1.696399 -0.524719 0.185647
O -2.458799 2.409554 0.122560
N -0.616994 0.946934 0.159795
N 3.501390 -4.258529 0.216162
N -0.882612 -1.447345 0.290204
C -0.125679 -0.371096 0.218127
C 0.291248 2.085052 0.078790
C -2.883374 0.015246 0.255165
C 3.319135 -2.790771 0.122278
C -2.037076 1.221275 0.175430
C 1.836685 -2.417592 0.301541
C -2.277192 -1.281216 0.309969
C 0.745027 2.704705 1.262080
C 0.690871 2.571942 -1.183559
C -4.296445 0.144305 0.277595
C -3.108640 -2.433158 0.387874
C 2.043378 4.311511 -0.080978
C 1.616539 3.810219 1.176331
C 1.562203 3.678290 -1.256680
C 4.878656 -4.636461 0.595558
C 3.045714 -4.983175 -0.988721
C -5.105974 -1.000894 0.353672
C -4.505849 -2.291266 0.409056
C 3.004084 5.484258 -0.166702
H 3.703101 -2.377590 -0.845741
H 3.910197 -2.323041 0.931940
H 1.459092 -2.732001 1.285239
H 1.182622 -2.831339 -0.479928
H 0.411384 2.327704 2.234278
H 0.315130 2.092677 -2.093366
H -4.723601 1.151614 0.234013
H -2.628056 -3.415158 0.431553
H 1.965896 4.293526 2.096293
H 1.869113 4.058825 -2.238032
H 4.932253 -5.730015 0.743367
H 5.646229 -4.356164 -0.170186
H 5.151173 -4.150878 1.549196
H 1.986286 -4.758858 -1.197879
H 3.641905 -4.729621 -1.902485
H 3.128641 -6.070809 -0.816011
H -6.196516 -0.904150 0.370911
H -5.140527 -3.182479 0.469378
H 2.838109 6.077581 -1.082832
H 2.899927 6.158248 0.701427
H 4.054649 5.134359 -0.187428


