%chk=000021694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021694

0 1
 O   -4.636900     -0.1102000     -8.9999998E-04
 O   -3.392200      -1.918400     -5.0000002E-04
 N   -3.518600     -0.6729000     -3.0000001E-04
 C   6.7599997E-02  0.4410000      1.9999999E-04
 C    1.375900     -0.1034000      9.9999997E-05
 C   -1.055700     -0.4185000      3.9999999E-04
 C  -0.1145000       1.843600      9.9999997E-05
 C    1.557900      -1.505900      9.9999997E-05
 C    2.499100      0.7562000     -1.9999999E-04
 C   -2.344100      0.1357000      5.0000002E-04
 C  -0.8559000      -1.805600      5.0000002E-04
 C   0.4333000      -2.342000      3.9999999E-04
 C    1.010200       2.679600     -1.9999999E-04
 C    2.299300       2.143300     -3.0000001E-04
 C   -1.415700       2.366900      3.0000001E-04
 C    2.859200      -2.029200       0.000000    
 C    3.787500      0.2020000     -3.9999999E-04
 C   -2.521400       1.518200      5.0000002E-04
 C    3.964800      -1.180500     -3.0000001E-04
 H   -1.575400      -2.604900      1.2000001E-03
 H   0.5537000      -3.423900      6.0000003E-04
 H   0.8947000       3.761700     -1.9999999E-04
 H    3.148300       2.824100     -3.9999999E-04
 H   -1.579300       3.442600      1.9999999E-04
 H    3.023700      -3.104700       0.000000    
 H    4.666300      0.8435000     -6.0000003E-04
 H   -3.504400       1.982600      3.9999999E-04
 H    4.967700      -1.597800     -3.9999999E-04


%chk=000021694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021694

0 1
O -4.767663 0.031943 -0.000296
O -3.634980 -1.932456 0.000270
N -3.655706 -0.636716 0.000264
C 0.061953 0.412664 0.000071
C 1.400022 -0.119220 -0.000002
C -1.084337 -0.482551 0.000215
C -0.117232 1.846399 0.000002
C 1.617186 -1.542789 0.000080
C 2.540803 0.766050 -0.000155
C -2.385712 0.131031 0.000235
C -0.827238 -1.908967 0.000320
C 0.465219 -2.406411 0.000256
C 1.038499 2.712068 -0.000147
C 2.320562 2.193460 -0.000225
C -1.433492 2.383397 0.000078
C 2.944446 -2.053512 0.000003
C 3.851993 0.216430 -0.000235
C -2.546931 1.539132 0.000178
C 4.051027 -1.180244 -0.000160
H -1.677393 -2.588500 0.000488
H 0.623809 -3.491285 0.000363
H 0.875196 3.795501 -0.000197
H 3.191311 2.859291 -0.000338
H -1.571844 3.469767 0.000048
H 3.097615 -3.138749 0.000064
H 4.713296 0.894476 -0.000354
H -3.563193 1.939030 0.000198
H 5.067884 -1.586140 -0.000224


