%chk=000031198.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031198

0 1
 S    1.485500     -9.8000001E-03  0.6007000    
 N    5.472300      9.3000000E-03 -0.1227000    
 C   0.3414000     -1.3100000E-02 -0.8131000    
 C   -1.089000     -5.1000002E-03 -0.3908000    
 C    3.038700     -2.1100000E-02 -0.3226000    
 C    4.223800      1.8500000E-02  0.6341000    
 C   -1.753000       1.206800     -0.2000000    
 C   -1.763000      -1.209200     -0.1869000    
 C   -3.090900       1.214500      0.1948000    
 C   -3.100900      -1.201400      0.2078000    
 C   -3.764800      1.0500000E-02  0.3986000    
 H   0.5421000     -0.8962000      -1.431000    
 H   0.5487000      0.8616000      -1.440800    
 H    3.077100     -0.9269000     -0.9378000    
 H    3.063000      0.8488000     -0.9882000    
 H    4.195200      0.9252000       1.248700    
 H    4.210800     -0.8468000       1.306800    
 H   -1.239600       2.152300     -0.3545000    
 H   -1.257400      -2.160500     -0.3312000    
 H   -3.607800       2.158000      0.3438000    
 H   -3.625800      -2.138900      0.3668000    
 H   -4.806300      1.6500000E-02  0.7061000    
 H    5.532100     -0.8447000     -0.6758000    
 H    6.259100     -1.4100000E-02  0.5248000    


%chk=000031198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031198

0 1
S 1.475780 -0.062382 0.608067
N 5.568440 -0.078312 -0.082152
C 0.298837 -0.004182 -0.902264
C -1.138724 0.003007 -0.440228
C 3.118061 -0.067517 -0.345051
C 4.290643 -0.040147 0.653015
C -1.815052 1.227560 -0.202322
C -1.834967 -1.214456 -0.223599
C -3.157869 1.236462 0.236207
C -3.177589 -1.209012 0.215131
C -3.843947 0.017355 0.445681
H 0.524323 -0.891211 -1.518991
H 0.549188 0.908219 -1.469965
H 3.154012 -0.980412 -0.968355
H 3.162718 0.819281 -0.999430
H 4.248929 0.903885 1.226666
H 4.163760 -0.870116 1.387426
H -1.283395 2.173991 -0.358629
H -1.318535 -2.166497 -0.395984
H -3.667857 2.190120 0.413425
H -3.703089 -2.157110 0.376210
H -4.886053 0.022845 0.784625
H 5.802601 -0.984374 -0.495687
H 6.361084 0.357204 0.393802


