%chk=000086949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086949

1 1
 S    3.200700     -0.8221000      0.8775000    
 N    1.305500      2.4999999E-03 -0.4735000    
 C   0.1024000      2.2500001E-02  -1.344600    
 C    1.878300       1.149600     -3.2000002E-02
 C    1.839400      -1.121300     -0.1143000    
 C   -1.156800      3.8999999E-03 -0.5454000    
 C    2.973000      0.8786000      0.7536000    
 C    1.308000       2.449800     -0.4118000    
 C    1.399100      -2.480700     -0.4675000    
 C   -1.098200     -2.8400000E-02  0.8479000    
 C   -2.393200      1.9300001E-02  -1.191300    
 C   -2.275700     -4.5600001E-02   1.595300    
 C   -3.570700      2.0999999E-03 -0.4437000    
 C   -3.511900     -3.0300001E-02  0.9496000    
 H   0.1265000     -0.8438000      -2.016900    
 H   0.1258000      0.8993000      -2.000200    
 H    3.638200       1.569500       1.251900    
 H   0.2517000       2.533900     -0.1425000    
 H    1.829400       3.262400      0.1071000    
 H    1.423100       2.635000      -1.484300    
 H    1.964200      -3.248600      7.1800001E-02
 H   0.3430000      -2.631800     -0.2249000    
 H    1.539200      -2.665200      -1.537400    
 H  -0.1737000     -4.0199999E-02   1.412300    
 H   -2.449500      4.4599999E-02  -2.276300    
 H   -2.231000     -7.0500001E-02   2.680400    
 H   -4.533300      1.4100000E-02 -0.9464000    
 H   -4.428800     -4.3600000E-02   1.531600    


%chk=000086949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086949

1 1
S 3.358837 -0.845043 0.850090
N 1.331016 -0.014301 -0.531260
C 0.075637 -0.005209 -1.337889
C 1.942536 1.187069 -0.062910
C 1.928483 -1.171593 -0.140594
C -1.200890 -0.012391 -0.490406
C 3.055648 0.914994 0.699004
C 1.385087 2.537805 -0.405145
C 1.464478 -2.547306 -0.484242
C -1.189507 -0.042223 0.924181
C -2.440060 0.010811 -1.180002
C -2.408062 -0.050146 1.643268
C -3.653024 0.002252 -0.459782
C -3.640136 -0.028410 0.954882
H 0.104409 -0.881665 -2.008138
H 0.112111 0.889397 -1.982951
H 3.722971 1.624351 1.181729
H 0.321438 2.621942 -0.119774
H 1.942600 3.318306 0.134508
H 1.472581 2.755392 -1.485507
H 2.047539 -3.306640 0.059025
H 0.398965 -2.682369 -0.222917
H 1.579050 -2.752113 -1.566035
H -0.246394 -0.055373 1.483341
H -2.462405 0.034744 -2.276666
H -2.391847 -0.072035 2.737713
H -4.604688 0.019308 -1.000335
H -4.581674 -0.034555 1.512812


