%chk=000040299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040299

0 1
 O   0.3813000       2.117900     -3.1999999E-03
 O   -3.606900     -0.1863000     -1.7000000E-03
 N  -0.2640000      -1.355400     -1.6000000E-03
 N   -1.661500       1.022200      1.4000000E-03
 N   -1.614900      -1.311600     -2.2000000E-03
 C    1.894500     -0.2461000     -5.0000002E-04
 C   0.3893000     -0.2396000     -6.0000003E-04
 C    2.369800      0.4795000       1.259900    
 C    2.393300      0.4785000      -1.252900    
 C    2.384100      -1.696200      2.4999999E-03
 C  -0.2903000       1.098600     -6.0000003E-04
 C   -2.374700     -0.1614000     -5.0000002E-04
 H    1.830400      0.1313000       2.148800    
 H    3.436100      0.2877000       1.430900    
 H    2.265600       1.566800       1.215700    
 H    2.275500       1.564600      -1.216200    
 H    1.875100      0.1210000      -2.150700    
 H    3.464700      0.2960000      -1.399300    
 H    2.045300      -2.243000     -0.8855000    
 H    2.037800      -2.242500      0.8880000    
 H    3.479700      -1.737800      7.6000001E-03
 H   -2.186300       1.891900      2.2000000E-03
 H   -2.065000      -2.221300     -3.8000001E-03


%chk=000040299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040299

0 1
O 0.238486 2.268435 0.003579
O -3.747711 -0.191171 -0.010161
N -0.291157 -1.337415 -0.002787
N -1.730488 1.033002 -0.003753
N -1.673507 -1.292923 -0.006258
C 1.918073 -0.256445 0.004251
C 0.386310 -0.191329 -0.000071
C 2.457336 0.461178 1.280800
C 2.464870 0.459358 -1.270179
C 2.399671 -1.728379 0.006615
C -0.314951 1.133922 -0.000596
C -2.492899 -0.150182 -0.006863
H 2.091054 -0.035535 2.198233
H 3.561603 0.410467 1.283951
H 2.157479 1.521470 1.303487
H 2.165143 1.519582 -1.296258
H 2.104066 -0.038797 -2.188997
H 3.569147 0.408688 -1.266707
H 2.043035 -2.273992 -0.884230
H 2.038355 -2.272671 0.896390
H 3.504760 -1.743340 0.009542
H -2.255614 1.914532 -0.003788
H -2.134160 -2.203655 -0.008500


