%chk=000083395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083395

0 1
 O    3.537900      -2.328600     -0.1186000    
 N    1.268500      0.5579000      7.3000002E-03
 C    2.240800     -0.4015000      0.4923000    
 C    1.725600       1.851000     -0.4612000    
 C  -0.1061000      0.2420000      4.0000002E-03
 C    2.557500      -1.415000     -0.5943000    
 C   -1.035100       1.177100     -0.4522000    
 C  -0.5368000      -1.004600      0.4581000    
 C    1.743400       2.868600      0.6667000    
 C   -2.825400     -0.3812000     -6.0000003E-04
 C   -2.394800      0.8655000     -0.4543000    
 C   -1.896400      -1.316300      0.4557000    
 C   -4.279000     -0.7148000     -3.1000001E-03
 H    1.940300     -0.8797000       1.432500    
 H    3.174200      0.1121000      0.7618000    
 H    2.756900       1.749900     -0.8263000    
 H    1.181300       2.220500      -1.336400    
 H    2.966900     -0.9178000      -1.480100    
 H    1.685400      -1.989800     -0.9180000    
 H  -0.7704000       2.168400     -0.8018000    
 H   0.1328000      -1.773400      0.8274000    
 H   0.7401000       3.046900       1.065900    
 H    2.375100       2.529700       1.494700    
 H    2.139500       3.824000      0.3083000    
 H   -3.110000       1.602600     -0.8102000    
 H   -2.220300      -2.291300      0.8104000    
 H   -4.527600      -1.403600      0.8114000    
 H   -4.890800      0.1825000      0.1388000    
 H   -4.555700      -1.181100     -0.9537000    
 H    3.160200      -2.787200      0.6514000    


%chk=000083395-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083395

0 1
O 3.832180 -2.287877 -0.004468
N 1.262835 0.521470 -0.038451
C 2.255087 -0.419323 0.500483
C 1.770683 1.828394 -0.499470
C -0.115756 0.233585 -0.013653
C 2.754997 -1.445022 -0.548891
C -1.093543 1.214973 -0.369417
C -0.604235 -1.055287 0.368106
C 1.775877 2.920864 0.597338
C -2.954481 -0.365620 0.028156
C -2.469306 0.911387 -0.349700
C -1.985231 -1.333624 0.391508
C -4.438709 -0.689451 0.018057
H 1.842094 -0.953590 1.379893
H 3.132602 0.146189 0.865282
H 2.802827 1.678971 -0.869167
H 1.179811 2.164658 -1.371681
H 3.216134 -0.921062 -1.402040
H 1.912036 -2.056555 -0.930062
H -0.787792 2.227467 -0.648386
H 0.091525 -1.855184 0.639954
H 0.758359 3.100207 0.985490
H 2.413946 2.618622 1.447664
H 2.169054 3.873565 0.195693
H -3.184371 1.696407 -0.627866
H -2.315166 -2.336304 0.692871
H -4.692161 -1.452359 0.776152
H -5.050383 0.207159 0.225181
H -4.762424 -1.085568 -0.965064
H 3.461512 -2.874293 0.702386


