%chk=000078559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078559

0 1
 O    1.492200       2.786400      3.9999999E-04
 N    1.046900      0.4593000      3.9999999E-04
 N  -6.4999998E-02 -0.3506000      3.9999999E-04
 C  -0.7608000       1.878300      5.0000002E-04
 C   -1.104800      0.4199000      3.0000001E-04
 C   0.7400000       1.826600      5.0000002E-04
 C   -2.485500     -3.6600001E-02 -9.9999997E-05
 C    2.308300     -0.1144000     -3.9999999E-04
 C   -3.527000      0.8912000     -3.0000001E-04
 C   -2.768300      -1.402400       0.000000    
 C    3.452100      0.6923000     -1.2000001E-03
 C    2.451300      -1.506700      6.0000003E-04
 C   -4.851400      0.4533000     -3.0000001E-04
 C   -4.092600      -1.840500     -1.9999999E-04
 C    4.721700      0.1145000     -1.1000000E-03
 C    3.720900      -2.084400      8.9999998E-04
 C   -5.134100     -0.9125000     -3.0000001E-04
 C    4.856100      -1.273800       0.000000    
 H   -1.115200       2.371500     -0.9073000    
 H   -1.115200       2.371200      0.9085000    
 H   -3.346700       1.962000     -3.0000001E-04
 H   -1.975100      -2.145300      1.9999999E-04
 H    3.430600       1.773300     -2.0999999E-03
 H    1.592500      -2.172900      1.5000000E-03
 H   -5.662700       1.175400     -3.9999999E-04
 H   -4.313200      -2.904000       0.000000    
 H    5.606600      0.7445000     -1.7000000E-03
 H    3.826200      -3.165400      1.7000000E-03
 H   -6.165300      -1.253700     -3.9999999E-04
 H    5.844600      -1.723700      1.9999999E-04


%chk=000078559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078559

0 1
O 1.584520 2.897093 -0.000288
N 1.083336 0.550473 -0.000170
N -0.081416 -0.269995 -0.000078
C -0.761267 1.990924 -0.000147
C -1.147258 0.527906 -0.000085
C 0.772703 1.936352 -0.000250
C -2.514997 -0.003235 -0.000014
C 2.366316 -0.085367 -0.000062
C -3.628536 0.882416 -0.000001
C -2.753158 -1.408594 0.000035
C 3.556211 0.690346 -0.000368
C 2.436123 -1.503262 0.000343
C -4.945730 0.377685 0.000066
C -4.068433 -1.907274 0.000096
C 4.805377 0.034077 -0.000269
C 3.694585 -2.137417 0.000444
C -5.171795 -1.017595 0.000113
C 4.886936 -1.376527 0.000130
H -1.123353 2.537714 -0.889161
H -1.123222 2.537719 0.888922
H -3.465916 1.966353 -0.000034
H -1.894407 -2.087194 0.000022
H 3.494761 1.780186 -0.000641
H 1.510199 -2.081834 0.000569
H -5.794257 1.070484 0.000079
H -4.239293 -2.989350 0.000129
H 5.720274 0.637115 -0.000512
H 3.741727 -3.232202 0.000769
H -6.194863 -1.408983 0.000165
H 5.861934 -1.875213 0.000200


