%chk=000100047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100047

0 1
 S    2.991700     -0.9002000      -1.446700    
 S   -3.822400      0.3561000     -0.8322000    
 N   0.8650000      0.4567000     -0.6033000    
 N   -1.378700       1.231100     -0.2506000    
 N    2.621300      5.3500000E-02  0.9273000    
 N   -2.099000     -0.8097000      0.7018000    
 C  -1.4500000E-02   1.217800      0.2721000    
 C   0.4833000       2.664300      0.3468000    
 C    2.083200     -5.6100000E-02 -0.2640000    
 C   -2.300600      0.2422000     -5.4200001E-02
 C    4.223600      -1.150400     -0.2801000    
 C   -4.271300      -1.131100     -0.1057000    
 C    3.850800     -0.5760000      0.9169000    
 C   -3.232500      -1.598300      0.6718000    
 H  -1.2900000E-02  0.7916000       1.283100    
 H  -0.1801000       3.271400      0.9727000    
 H    1.490500       2.716000      0.7735000    
 H   0.5196000       3.126300     -0.6469000    
 H   0.5337000      0.3419000      -1.557600    
 H   -1.609800       1.991400     -0.8852000    
 H    5.130600      -1.687900     -0.5166000    
 H   -5.240600      -1.577600     -0.2752000    
 H    4.444700     -0.5872000       1.820800    
 H   -3.250400      -2.517300       1.242000    


%chk=000100047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100047

0 1
S 2.948907 -1.260565 -1.398680
S -4.060545 0.524810 -0.648494
N 0.817730 0.458102 -0.727009
N -1.382013 1.329153 -0.305132
N 2.667526 0.282378 0.791578
N -2.023887 -0.867790 0.427477
C -0.016948 1.260588 0.220673
C 0.551099 2.677392 0.404619
C 2.033236 -0.045565 -0.330562
C -2.294084 0.308773 -0.118908
C 4.241865 -1.237696 -0.128800
C -4.334763 -1.155997 -0.029429
C 3.896026 -0.385641 0.899973
C -3.165547 -1.681700 0.481560
H -0.028842 0.726034 1.190037
H -0.038535 3.232532 1.155762
H 1.590084 2.598681 0.760213
H 0.546152 3.231615 -0.552351
H 0.316988 0.006604 -1.492847
H -1.685943 2.201663 -0.735108
H 5.131964 -1.849255 -0.251412
H -5.323041 -1.603112 -0.099064
H 4.510982 -0.203750 1.782506
H -3.073211 -2.678755 0.913898


