%chk=000054730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054730

0 1
 O    5.348100      -1.239200      3.5000001E-03
 O    5.558300       1.024100      7.7000000E-03
 N  -0.7910000      5.8800001E-02 -5.5999998E-03
 N   -1.472400      -1.103500     -2.7999999E-03
 C   -2.851400      0.7016000     -1.1000000E-03
 C   -2.766900     -0.7392000      1.9999999E-04
 C   0.6026000      4.9800001E-02 -4.3000001E-03
 C   -1.571100       1.178200     -4.6999999E-03
 C   -4.004200       1.476700      1.0000000E-03
 C    1.297300       1.253200     -2.0000001E-03
 C    1.281200      -1.162800     -4.9000001E-03
 C   -3.934700      -1.524200      4.0000002E-03
 C    3.381500      3.1500001E-02 -1.0000000E-03
 C    2.692100       1.244000     -3.9999999E-04
 C    2.676100      -1.171900     -3.1999999E-03
 C   -5.156100      0.6656000      4.4000000E-03
 C   -5.125300     -0.7646000      5.7999999E-03
 C    4.835700      2.2000000E-02  3.4000000E-03
 H   -1.205500       2.195100     -6.6000000E-03
 H   -4.041500       2.556900      9.9999997E-05
 H   0.8223000       2.227500     -1.2000001E-03
 H   0.7711000      -2.122200     -6.6000000E-03
 H   -3.933600      -2.606100      5.1000002E-03
 H    3.224100       2.191900      1.8000000E-03
 H    3.173200      -2.138000     -3.3000000E-03
 H   -6.130500       1.153600      6.2000002E-03
 H   -6.076600      -1.295900      8.5000005E-03
 H    6.329000      -1.234500      7.0000002E-03


%chk=000054730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054730

0 1
O 5.479786 -1.341796 -0.001245
O 5.702240 0.969805 -0.000393
N -0.782043 0.162536 0.000689
N -1.491975 -1.044527 0.002279
C -2.929341 0.811104 0.000024
C -2.808364 -0.641565 0.001795
C 0.648175 0.115322 0.000493
C -1.601201 1.284605 -0.000585
C -4.220262 1.427456 -0.000708
C 1.413322 1.310586 0.000707
C 1.292988 -1.147473 0.000151
C -3.971383 -1.470262 0.002861
C 3.470201 -0.021704 -0.000042
C 2.815617 1.237093 0.000403
C 2.696457 -1.211243 -0.000136
C -5.343242 0.597589 0.000333
C -5.217704 -0.839977 0.002109
C 4.954614 -0.039723 -0.000375
H -1.210706 2.297099 -0.002227
H -4.323896 2.517755 -0.002031
H 0.929815 2.291193 0.001257
H 0.676167 -2.048207 0.000118
H -3.875191 -2.560160 0.004246
H 3.425200 2.146231 0.000586
H 3.205303 -2.178686 -0.000448
H -6.346021 1.038504 -0.000171
H -6.129615 -1.447403 0.002921
H 6.472859 -1.285752 -0.001613


