%chk=000096307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096307

0 1
 O  -0.6406000     -0.1463000      6.0000003E-04
 N   0.6416000      0.4160000     -1.9999999E-04
 N    5.694900      0.1871000     -1.4000000E-03
 C   -2.990400      0.4163000     -5.0000002E-04
 C   -1.586200      0.9192000     -1.1000000E-03
 C   -3.646600      0.1789000      -1.208400    
 C   -3.647200      0.1830000       1.207800    
 C   -4.959700     -0.2916000      -1.207900    
 C   -4.960400     -0.2876000       1.208000    
 C   -5.616600     -0.5250000      1.9999999E-04
 C    2.959100     -0.2900000      1.4000000E-03
 C    3.835400      -1.357900      2.2000000E-03
 C    3.422200       1.011500     -6.0000003E-04
 C    1.509000     -0.5429000      1.4000000E-03
 C    5.190100      -1.067100      6.0000003E-04
 C    4.795400       1.196400     -2.0000001E-03
 H   -1.417500       1.550900     -0.8833000    
 H   -1.417700       1.553700      0.8791000    
 H   -3.145000      0.3545000      -2.156300    
 H   -3.146100      0.3618000       2.155400    
 H   -5.470600     -0.4771000      -2.148200    
 H   -5.471700     -0.4699000       2.148700    
 H   -6.638800     -0.8917000      5.0000002E-04
 H    3.494500      -2.387200      3.5999999E-03
 H    2.765000       1.873600     -1.4000000E-03
 H    1.187700      -1.601000      2.9000000E-03
 H    5.928800      -1.861800      1.0000000E-03
 H    5.221600       2.194300     -3.8000001E-03


%chk=000096307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096307

0 1
O -0.699269 -0.101022 0.000167
N 0.654952 0.424357 -0.000591
N 5.798096 0.150368 -0.000221
C -3.047347 0.489857 -0.000720
C -1.648275 1.057990 -0.001452
C -3.709827 0.209804 -1.222351
C -3.710028 0.213339 1.221608
C -5.011923 -0.337289 -1.223714
C -5.012127 -0.333747 1.224341
C -5.665792 -0.609755 0.000656
C 2.965688 -0.293965 0.000401
C 3.884718 -1.378690 0.002014
C 3.505618 1.024309 -0.001570
C 1.522161 -0.567133 0.000830
C 5.270926 -1.110232 0.001638
C 4.903414 1.189954 -0.001800
H -1.444475 1.663960 -0.902904
H -1.444516 1.666445 0.898332
H -3.201592 0.418612 -2.171506
H -3.201950 0.424903 2.170237
H -5.515769 -0.548806 -2.173270
H -5.516133 -0.542504 2.174422
H -6.677309 -1.031162 0.001179
H 3.526497 -2.414563 0.003540
H 2.835869 1.889020 -0.002884
H 1.185148 -1.616112 0.002361
H 5.997799 -1.930462 0.002864
H 5.345645 2.192625 -0.003305


