%chk=000043768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043768

0 1
 O    3.512000       1.338800      0.7392000    
 O  -1.3800000E-02  -2.355700      2.7799999E-02
 N  -0.3708000     -0.2732000      7.0500001E-02
 N  -0.4905000      -1.436300      0.7041000    
 C   -1.468400      0.6380000      0.2417000    
 C   -2.801300      2.9200001E-02 -0.1809000    
 C   0.9074000      0.3791000      0.4212000    
 C   -3.969300       1.005900     -2.5900001E-02
 C    2.041600     -0.1875000     -0.4263000    
 C   -5.273800      0.3927000     -0.5107000    
 C    3.376400      0.4706000     -0.1215000    
 C    4.550500     -1.8000000E-03 -0.9392000    
 H   -1.543200      0.9786000       1.284300    
 H   -1.307100       1.534900     -0.3713000    
 H   -3.027900     -0.8648000      0.4136000    
 H   -2.739600     -0.2920000      -1.229100    
 H    1.128600      0.3024000       1.495700    
 H   0.8556000       1.456000      0.2059000    
 H   -3.768800       1.919300     -0.5977000    
 H   -4.073400       1.296700       1.025800    
 H    2.180300      -1.258200     -0.2450000    
 H    1.829000     -3.6800001E-02  -1.491200    
 H   -5.520200     -0.5080000      6.0500000E-02
 H   -6.095100       1.106200     -0.3907000    
 H   -5.211100      0.1222000      -1.569500    
 H    4.706700      -1.070400     -0.7727000    
 H    5.452000      0.5384000     -0.6368000    
 H    4.361400      0.1920000      -1.997900    


%chk=000043768-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043768

0 1
O 3.439148 1.485420 0.701173
O 0.302386 -2.524460 0.671621
N -0.369007 -0.394986 0.508552
N -0.699359 -1.730775 0.461935
C -1.445970 0.595808 0.277966
C -2.814640 -0.021382 -0.064028
C 1.009542 0.054163 0.808697
C -3.872297 1.082348 -0.296724
C 1.962939 -0.123821 -0.392225
C -5.259387 0.497867 -0.640048
C 3.291855 0.613547 -0.197188
C 4.420949 0.233515 -1.144693
H -1.535613 1.225137 1.187852
H -1.122880 1.267667 -0.544766
H -3.138627 -0.690637 0.753671
H -2.725587 -0.657530 -0.964114
H 1.386923 -0.539754 1.660690
H 0.973614 1.113288 1.111517
H -3.540111 1.750190 -1.118154
H -3.953063 1.716647 0.609730
H 2.146607 -1.198065 -0.578757
H 1.497281 0.274442 -1.318778
H -5.631923 -0.145415 0.178796
H -6.003527 1.297441 -0.808086
H -5.212918 -0.120280 -1.556062
H 4.850653 -0.736800 -0.826760
H 5.216893 0.993925 -1.119792
H 4.053318 0.098798 -2.178124


