%chk=000078046.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078046

0 1
 O    1.720400      0.2743000      3.9999999E-04
 O   0.7758000      -1.815600       0.000000    
 N  -0.6232000       1.445200      3.0000001E-04
 N   -2.775000      0.6104000     -6.0000003E-04
 N   -1.947500       1.667800     -9.9999997E-05
 C  -0.6179000      0.1249000      6.0000003E-04
 C   -1.898100     -0.3974000       0.000000    
 C    3.013700     -0.3110000     -3.9999999E-04
 C   0.6566000     -0.5948000      6.0000003E-04
 C   -2.358000      -1.793600     -3.0000001E-04
 C    4.053100      0.7897000     -5.0000002E-04
 H    3.137700     -0.9337000      0.8926000    
 H    3.136800     -0.9331000     -0.8940000    
 H   -1.991800      -2.319800     -0.8877000    
 H   -1.991800      -2.320200      0.8869000    
 H   -3.451100      -1.861800     -3.0000001E-04
 H    5.064200      0.3730000     -1.2000001E-03
 H    3.934800       1.431600     -0.8797000    
 H    3.935600       1.430900      0.8794000    
 H   -2.314200       2.613000     -5.0000002E-04


%chk=000078046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078046

0 1
O 1.752421 0.323687 0.000106
O 0.748812 -1.785656 -0.000238
N -0.738555 1.569936 0.000186
N -2.869386 0.610285 -0.000198
N -2.087955 1.748227 -0.000082
C -0.628215 0.194577 0.000140
C -1.939662 -0.399114 -0.000128
C 3.090946 -0.347526 -0.000353
C 0.656547 -0.528786 0.000361
C -2.346351 -1.840253 -0.000291
C 4.133729 0.764221 -0.000455
H 3.154678 -0.993364 0.894220
H 3.154211 -0.993085 -0.895160
H -1.940234 -2.363959 -0.882911
H -1.939805 -2.364273 0.881938
H -3.444949 -1.920471 -0.000067
H 5.147875 0.324609 -0.000791
H 4.029561 1.401680 -0.894689
H 4.030032 1.401397 0.894036
H -2.503602 2.677668 -0.000126


