%chk=000079343.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079343

0 1
 O    4.263200     -0.7467000     -6.2000002E-03
 O   -2.232000      -1.176200      2.0300001E-02
 N   -1.046100      0.8561000      8.3999997E-03
 N   -5.650000     -0.5504000     -3.5300002E-02
 C   0.2896000      0.4533000      5.2000000E-03
 C    1.306400       1.408100     -2.4000001E-03
 C   0.6081000     -0.9048000      8.2999999E-03
 C    2.960300     -0.3532000     -3.8999999E-03
 C    2.641600       1.004800     -7.0000002E-03
 C    1.943400      -1.308200      3.7000000E-03
 C   -2.197400      5.0299998E-02  1.5900001E-02
 C   -3.458400      0.8979000      1.7000001E-02
 C    5.252100      0.2819000     -1.1900000E-02
 C   -4.680700      8.7099999E-02 -1.2200000E-02
 H    1.071700       2.469600     -4.9999999E-03
 H  -0.1212000      -1.702500      1.4100000E-02
 H    3.380900       1.798500     -1.2800000E-02
 H    2.186800      -2.367200      6.5000001E-03
 H   -1.194500       1.863100      5.7999999E-03
 H   -3.450100       1.526300      0.9148000    
 H   -3.431900       1.559600     -0.8562000    
 H    5.202500      0.8929000      0.8957000    
 H    5.198000      0.8870000     -0.9233000    
 H    6.230200     -0.2102000     -1.2800000E-02


%chk=000079343-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079343

0 1
O 4.326310 -0.544181 0.263041
O -2.193154 -1.270984 1.184513
N -1.230813 0.514970 -0.012796
N -3.739437 2.635426 -1.177964
C 0.167168 0.224993 0.072981
C 1.058913 1.120599 -0.565722
C 0.685950 -0.906182 0.761794
C 2.964916 -0.222779 0.157544
C 2.452228 0.906135 -0.528828
C 2.073989 -1.119760 0.798074
C -2.284605 -0.202547 0.513778
C -3.703868 0.382552 0.238408
C 5.284551 0.355156 -0.383974
C -3.753246 1.623383 -0.543437
H 0.668059 1.996677 -1.099128
H 0.001573 -1.598220 1.255195
H 3.114481 1.616278 -1.031833
H 2.491305 -1.984643 1.322387
H -1.469032 1.364854 -0.534420
H -4.282285 -0.408600 -0.273034
H -4.182795 0.538954 1.222421
H 5.232961 1.374903 0.045201
H 5.116938 0.402848 -1.477771
H 6.272393 -0.082729 -0.179732


