%chk=000012796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012796

0 1
 O    3.396900      -1.292500     -6.9999998E-04
 O   -2.804700       1.105300     -6.9999998E-04
 N   -1.378000     -0.7691000      6.9999998E-04
 N   -3.676700      -1.006800     -6.0000003E-04
 C  -9.8700002E-02 -0.2119000      8.9999998E-04
 C    1.023300      -1.040700      6.0000003E-04
 C   5.8200002E-02   1.174100      6.9999998E-04
 C    2.301900     -0.4835000     -1.9999999E-04
 C    1.336800       1.731400      9.9999997E-05
 C    2.458700      0.9024000     -5.0000002E-04
 C   -2.617800     -0.1087000     -9.9999997E-05
 H   0.9094000      -2.122400      6.0000003E-04
 H  -0.7613000       1.879300      1.1000000E-03
 H    1.460300       2.810600     -9.9999997E-05
 H    3.449500       1.349000     -1.1000000E-03
 H   -1.416700      -1.785500      7.9999998E-04
 H    4.197100     -0.7395000     -1.2000001E-03
 H   -4.638200     -0.6834000     -1.3000000E-03
 H   -3.525900      -2.009900     -9.9999997E-05


%chk=000012796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012796

0 1
O 3.382970 -1.370224 -0.000329
O -2.851024 1.085194 -0.000177
N -1.389314 -0.778910 0.000213
N -3.715467 -1.073432 -0.000052
C -0.114265 -0.149472 0.000074
C 1.018651 -1.004764 -0.000072
C 0.059441 1.262266 0.000091
C 2.314099 -0.452768 -0.000189
C 1.369387 1.784327 -0.000033
C 2.508246 0.949526 -0.000170
C -2.653810 -0.164749 0.000188
H 0.914992 -2.095988 -0.000102
H -0.816387 1.911933 0.000189
H 1.504534 2.871681 -0.000019
H 3.518718 1.376930 -0.000265
H -1.364129 -1.800213 0.000236
H 4.249757 -0.893731 -0.000401
H -4.650389 -0.673613 -0.000311
H -3.611909 -2.085794 0.000031


