%chk=000053230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053230

0 1
 O   -3.800300      -2.312500      6.9999998E-04
 O   -3.800200       2.312400     -1.1000000E-03
 O   -1.951700      -3.504300     -5.0000002E-04
 O   -1.951600       3.504300      3.0000001E-04
 N   -2.552600      -2.406700      3.9999999E-04
 N   -2.552500       2.406800     -5.0000002E-04
 C   0.3295000       0.000000      9.9999997E-05
 C    1.746600       0.000000       0.000000    
 C  -0.3773000       1.225100      1.9999999E-04
 C  -0.3773000      -1.225100       0.000000    
 C    2.453400       1.225000      9.9999997E-05
 C    2.453400      -1.225100     -1.9999999E-04
 C   -1.779700      -1.208300      9.9999997E-05
 C   -1.779700       1.208400      3.0000001E-04
 C   0.3399000       2.428900      3.0000001E-04
 C   0.3399000      -2.428900     -1.9999999E-04
 C    1.736200       2.429000      1.9999999E-04
 C    1.736200      -2.428900     -1.9999999E-04
 C   -2.474600       0.000000      1.9999999E-04
 C    3.855900       1.208300       0.000000    
 C    3.855800      -1.208400     -9.9999997E-05
 C    4.550600       0.000000     -9.9999997E-05
 H  -1.4600000E-02   3.444100      6.0000003E-04
 H  -1.4700000E-02  -3.444100     -9.9999997E-05
 H    2.263200       3.381600      3.0000001E-04
 H    2.263100      -3.381600     -1.9999999E-04
 H   -3.562000      9.9999997E-05  1.9999999E-04
 H    4.420900       2.138100      9.9999997E-05
 H    4.420900      -2.138100     -1.9999999E-04
 H    5.636900       0.000000     -9.9999997E-05


%chk=000053230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053230

0 1
O -3.956778 -2.226842 0.001220
O -3.956751 2.226904 -0.001339
O -2.157149 -3.605203 -0.000528
O -2.157110 3.605249 0.000876
N -2.678713 -2.421137 -0.000054
N -2.678682 2.421187 0.000148
C 0.347055 0.000006 0.000028
C 1.790481 -0.000006 0.000011
C -0.358616 1.273909 0.000133
C -0.358634 -1.273887 -0.000057
C 2.528039 1.237561 0.000051
C 2.528020 -1.237582 -0.000048
C -1.795478 -1.220366 -0.000021
C -1.795462 1.220406 0.000096
C 0.412429 2.496928 0.000160
C 0.412393 -2.496918 -0.000097
C 1.796312 2.473270 0.000108
C 1.796276 -2.473281 -0.000083
C -2.485609 0.000025 0.000034
C 3.950510 1.218853 0.000028
C 3.950492 -1.218896 -0.000066
C 4.657639 -0.000027 -0.000030
H -0.123054 3.444083 0.000272
H -0.123105 -3.444065 -0.000182
H 2.354248 3.416701 0.000140
H 2.354200 -3.416719 -0.000125
H -3.577508 0.000032 0.000027
H 4.493089 2.170961 0.000057
H 4.493055 -2.171012 -0.000110
H 5.752010 -0.000035 -0.000047