%chk=000101238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101238

0 1
 S    2.516800     -0.1065000     -0.1009000    
 O    2.860000      -1.395800     -0.6842000    
 O    3.066600       1.115100     -0.6720000    
 O   -4.236300     -0.7219000      2.2299999E-02
 N    2.879400     -0.1426000       1.568500    
 N   -3.408400      0.3722000      3.5900000E-02
 C   0.7769000      3.4400001E-02 -6.0400002E-02
 C   0.1793000       1.294500     -3.9400000E-02
 C  -1.5300000E-02  -1.113500     -4.9300000E-02
 C   -2.003000      0.2588000      3.8000001E-03
 C   -1.210700       1.406800     -7.1000000E-03
 C   -1.405300      -1.001400     -1.7200001E-02
 H   0.7770000       2.201600     -4.1000001E-02
 H   0.4290000      -2.104900     -5.8499999E-02
 H   -1.664700       2.394200      1.0500000E-02
 H   -1.999900      -1.910900     -7.3000002E-03
 H    3.198000      -1.033800       1.968000    
 H    3.337200      0.6824000       1.975000    
 H   -3.847700       1.284000      4.1700002E-02
 H   -4.693900     -0.6365000      0.8759000    


%chk=000101238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101238

0 1
S 2.535973 -0.123941 -0.068072
O 2.877934 -1.604355 -0.659164
O 3.141330 1.256494 -0.690276
O -4.291021 -0.689247 -0.165405
N 3.058923 -0.151131 1.699787
N -3.491538 0.478786 0.215274
C 0.680318 0.048691 0.007166
C 0.127747 1.342373 0.001348
C -0.102119 -1.117812 0.032295
C -2.092991 0.304778 0.088077
C -1.271433 1.469013 0.038038
C -1.503463 -0.988201 0.072486
H 0.777358 2.221280 -0.059104
H 0.374375 -2.102570 -0.009624
H -1.726597 2.466142 0.035264
H -2.146233 -1.871020 0.063499
H 3.516251 -1.060642 1.879209
H 3.685987 0.655878 1.855034
H -3.886450 1.302886 -0.256769
H -4.729350 -0.961201 0.685238


