%chk=000025761.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025761

0 1
 O   -4.185300       1.176300      8.9999998E-04
 O   -2.248700       2.210000      8.9999998E-04
 N   -2.930100       1.155500      3.0000001E-04
 C    1.389500      0.1125000       0.000000    
 C   0.1748000      0.7840000     -1.9999999E-04
 C    1.182100      -1.259900      1.9999999E-04
 C  -0.8854000     -0.2145000       0.000000    
 C  -0.2556000      -1.492500      1.9999999E-04
 C    2.639100      0.7284000       0.000000    
 C   -2.262000     -9.6000001E-02 -6.0000003E-04
 C   0.1698000       2.166400     -5.0000002E-04
 C    2.275400      -2.105900      5.0000002E-04
 C   -1.000200      -2.656500     -9.9999997E-05
 C    2.629200       2.136900     -3.9999999E-04
 C    3.750100     -0.1375000      1.9999999E-04
 C    1.404600       2.839500     -6.0000003E-04
 C    3.561400      -1.536600      5.0000002E-04
 C   -3.015600      -1.273400     -7.9999998E-04
 C   -2.393000      -2.536900     -6.0000003E-04
 H  -0.5724000       2.931600     -2.0000001E-03
 H    2.158000      -3.184400      6.9999998E-04
 H  -0.5319000      -3.634400     -9.9999997E-05
 H    3.563000       2.693300     -5.0000002E-04
 H    4.760300      0.2642000      1.9999999E-04
 H    1.426200       3.927700     -1.1000000E-03
 H    4.431800      -2.188600      6.9999998E-04
 H   -4.103600      -1.257200     -1.0000000E-03
 H   -3.007600      -3.433700     -6.9999998E-04


%chk=000025761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025761

0 1
O -4.447118 0.988083 -0.000336
O -2.563019 2.250298 -0.000816
N -3.158567 1.104821 -0.000365
C 1.411388 0.151992 -0.000109
C 0.176645 0.893187 -0.000254
C 1.185489 -1.254542 0.000034
C -0.914867 -0.128394 -0.000196
C -0.277436 -1.437369 -0.000033
C 2.706281 0.732605 -0.000098
C -2.338100 -0.128351 -0.000249
C 0.276319 2.296207 -0.000401
C 2.282233 -2.123999 0.000198
C -1.010887 -2.634185 0.000031
C 2.765889 2.166924 -0.000253
C 3.820901 -0.173739 0.000069
C 1.574895 2.907828 -0.000396
C 3.602419 -1.561650 0.000212
C -3.080384 -1.341078 -0.000193
C -2.425343 -2.583402 -0.000060
H -0.613433 2.922653 -0.000519
H 2.160003 -3.212755 0.000321
H -0.493048 -3.599012 0.000159
H 3.736504 2.676545 -0.000265
H 4.843456 0.221300 0.000078
H 1.624130 4.002272 -0.000528
H 4.462963 -2.239620 0.000338
H -4.170575 -1.271823 -0.000241
H -3.012837 -3.506496 -0.000027


