%chk=000046399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046399

0 1
 O   -1.682400      -1.016000     -6.0000003E-04
 N   -1.420700       1.235300     -6.9999998E-04
 N    3.508800      0.7821000      1.3000000E-03
 N   -3.608600      0.2355000      1.7000000E-03
 C  -0.1871000      0.6302000     -3.9999999E-04
 C  -0.3434000     -0.7480000     -1.9999999E-04
 C    1.108900       1.165400     -6.0000003E-04
 C    2.190400      0.2724000     -3.9999999E-04
 C   0.7019000      -1.663300      9.9999997E-05
 C    1.988300      -1.113300       0.000000    
 C   -2.256000      0.2198000     -3.0000001E-04
 H    1.263900       2.239800     -6.0000003E-04
 H   0.5347000      -2.733100      3.9999999E-04
 H    2.842000      -1.788400      6.0000003E-04
 H    3.664400       1.781400     -1.8000000E-03
 H    4.296400      0.1477000     -1.3000000E-03
 H   -4.154100     -0.6202000      3.1000001E-03
 H   -4.134200       1.103400      3.3000000E-03


%chk=000046399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046399

0 1
O -1.745146 -1.080293 0.000897
N -1.456754 1.240574 0.000626
N 3.532048 0.798225 -0.000218
N -3.683682 0.269775 0.001157
C -0.177060 0.611231 0.000385
C -0.338568 -0.804816 0.000546
C 1.111262 1.172317 0.000004
C 2.228816 0.285736 -0.000212
C 0.730794 -1.699244 0.000346
C 2.028430 -1.133498 -0.000042
C -2.316638 0.224531 0.000929
H 1.247012 2.258608 -0.000071
H 0.584758 -2.783080 0.000457
H 2.902204 -1.795687 -0.000139
H 3.696190 1.799856 -0.001839
H 4.334956 0.177480 -0.002130
H -4.226390 -0.587987 0.001582
H -4.139032 1.176972 0.001321


