%chk=000019172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019172

0 1
 O    4.213800      0.2741000      6.9999998E-04
 O    3.013800      -1.696100     -8.9999998E-04
 O   -5.313100     -0.2998000     -3.3000000E-03
 O   -4.023000      -2.076000     -6.0000003E-04
 N   0.6643000     -0.3156000      5.9000002E-03
 N   -4.176100     -0.8306000     -1.6000000E-03
 C  -0.6030000      0.2477000      2.9000000E-03
 C    1.883600      0.4539000      7.4999998E-03
 C   -1.752800     -0.5629000      1.6000000E-03
 C  -0.7708000       1.644400      1.3000000E-03
 C   -3.027200      3.8999999E-03 -1.2000001E-03
 C   -2.045100       2.211500     -1.5000000E-03
 C   -3.173300       1.391200     -2.7999999E-03
 C    3.070300     -0.4739000      2.0000001E-03
 C    5.436900     -0.4694000     -4.4999998E-03
 C    6.601800      0.4974000     -5.4000001E-03
 H    1.942200       1.078800     -0.8905000    
 H    1.943900       1.072300      0.9098000    
 H   0.7253000      -1.328200      8.5000005E-03
 H   -1.618300      -1.643300      3.0000000E-03
 H   8.0499999E-02   2.320000      2.6000000E-03
 H   -2.159000       3.291700     -2.7000001E-03
 H   -4.150100       1.868100     -4.8000002E-03
 H    5.482500      -1.103200      0.8881000    
 H    5.477500      -1.099000     -0.9004000    
 H    7.555000     -3.8600001E-02 -9.3999999E-03
 H    6.559700       1.150700     -0.8832000    
 H    6.564600       1.146400      0.8757000    


%chk=000019172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019172

0 1
O 4.264820 0.280544 -0.001310
O 2.990330 -1.675632 0.001083
O -5.390228 -0.378273 -0.000676
O -3.987243 -2.177136 -0.000884
N 0.658758 -0.254807 0.001809
N -4.207983 -0.902012 -0.001299
C -0.614164 0.298631 0.001400
C 1.882476 0.526814 0.001997
C -1.753636 -0.557719 0.000305
C -0.825800 1.713296 0.002091
C -3.036574 0.014723 -0.000154
C -2.132295 2.244598 0.001501
C -3.267375 1.410089 0.000360
C 3.076091 -0.424638 0.000515
C 5.524668 -0.536045 -0.002285
C 6.688627 0.447309 -0.003819
H 1.966207 1.190149 -0.885916
H 1.967402 1.188019 0.891493
H 0.785860 -1.270579 0.002273
H -1.656224 -1.647629 -0.000225
H 0.029658 2.395637 0.003257
H -2.263882 3.332169 0.002025
H -4.288432 1.795486 -0.000067
H 5.512674 -1.183692 0.892948
H 5.510860 -1.184364 -0.896996
H 7.643563 -0.109709 -0.004567
H 6.661977 1.089805 -0.899915
H 6.663767 1.090467 0.891856


