%chk=000029128.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029128

0 1
 O    4.430500     -0.3404000       0.000000    
 O    3.056700       1.444500     -1.0000000E-03
 N   0.3277000      0.6939000      8.9999998E-04
 N  -8.7399997E-02  -1.489600      3.0000001E-04
 N    2.208400     -0.7568000      1.9999999E-04
 C   -1.039000      0.5812000      3.9999999E-04
 C   -1.273000     -0.7912000     -9.9999997E-05
 C   0.8507000     -0.5691000      1.0000000E-03
 C   -2.059500       1.532700      3.9999999E-04
 C   -2.597600      -1.260100     -6.9999998E-04
 C   -3.371700       1.048400       0.000000    
 C   -3.638100     -0.3228000     -6.9999998E-04
 C    3.192300      0.2291000     -6.9999998E-04
 H   0.8494000       1.560100      1.1000000E-03
 H   -1.850200       2.596400      8.9999998E-04
 H   -2.815000      -2.323300     -1.2000001E-03
 H   -4.199500       1.753300     -9.9999997E-05
 H   -4.668600     -0.6688000     -1.2000001E-03
 H    2.518100      -1.724500      1.9999999E-04
 H    5.141900      0.3352000     -1.9999999E-04


%chk=000029128-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029128

0 1
O 4.488011 -0.403507 -0.001188
O 3.031854 1.440334 -0.000925
N 0.347739 0.770472 0.001320
N -0.055239 -1.490947 0.000112
N 2.246742 -0.778997 0.001572
C -1.051752 0.632143 0.000554
C -1.286137 -0.788422 -0.000142
C 0.869012 -0.519490 0.000979
C -2.100892 1.571476 0.000482
C -2.608446 -1.285113 -0.000959
C -3.415477 1.053978 -0.000360
C -3.664613 -0.349305 -0.001075
C 3.223231 0.192574 0.001968
H 0.931530 1.611595 0.002087
H -1.917377 2.650680 0.001045
H -2.794296 -2.363186 -0.001506
H -4.263445 1.747517 -0.000461
H -4.700298 -0.705925 -0.001722
H 2.516890 -1.764838 0.001404
H 5.179063 0.307160 -0.003686


