%chk=000050855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050855

0 1
 S   0.2012000      0.8940000     -0.9135000    
 N    3.565700     -0.8998000      0.5607000    
 N    4.939200     -0.7194000      0.2290000    
 C    2.779000      3.7700001E-02 -0.2475000    
 C    1.291700     -0.2199000      2.5300000E-02
 C    3.218600       1.459300      0.1043000    
 C   -1.412300      0.3392000     -0.3769000    
 C   -1.800900     -0.9780000     -0.6030000    
 C   -2.270800       1.227500      0.2644000    
 C   -3.059200      -1.410700     -0.1844000    
 C   -3.529000      0.7946000      0.6829000    
 C   -3.923100     -0.5246000      0.4586000    
 H    2.971100     -0.1426000      -1.314700    
 H    1.072500     -9.0499997E-02   1.092100    
 H    1.049300      -1.255200     -0.2393000    
 H    2.661100       2.207200     -0.4684000    
 H    4.273500       1.648200     -0.1232000    
 H    3.058900       1.674900       1.167500    
 H    3.291700      -1.858000      0.3454000    
 H   -1.149000      -1.683700      -1.111100    
 H   -1.980100       2.258800      0.4478000    
 H    5.504800      -1.311700      0.8356000    
 H    5.107600      -1.051700     -0.7202000    
 H   -3.367200      -2.437100     -0.3613000    
 H   -4.202000       1.484500       1.183700    
 H   -4.903000     -0.8613000      0.7840000    


%chk=000050855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050855

0 1
S 0.189438 0.963213 -0.958131
N 3.576778 -0.890179 0.540820
N 4.956096 -0.955047 0.212784
C 2.791736 0.091048 -0.270100
C 1.324915 -0.060022 0.180837
C 3.334694 1.512731 -0.050938
C -1.449552 0.323154 -0.389742
C -1.895483 -0.957867 -0.795042
C -2.275905 1.139722 0.417442
C -3.162927 -1.426445 -0.379008
C -3.548429 0.671544 0.822467
C -3.991698 -0.612430 0.429233
H 2.849738 -0.149151 -1.361026
H 1.196460 0.293141 1.216913
H 0.987507 -1.110941 0.106917
H 2.813538 2.238970 -0.699963
H 4.412952 1.529624 -0.281836
H 3.196748 1.813611 1.003575
H 3.112798 -1.814435 0.558968
H -1.260947 -1.572564 -1.443131
H -1.921307 2.129343 0.723304
H 5.576967 -0.955143 1.020607
H 5.244882 -1.534900 -0.583252
H -3.505972 -2.418168 -0.694707
H -4.187326 1.307473 1.445412
H -4.976402 -0.974586 0.745397


