%chk=000138628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138628

0 1
 O    3.215800     -0.7065000      8.9199997E-02
 O    3.674100       1.538600     -0.1303000    
 N   0.7743000       1.970300     -0.1892000    
 N  -0.5660000       1.869900     -0.1874000    
 C  -0.7750000      0.5550000     -5.9400000E-02
 C   -2.108400      2.4599999E-02 -1.5200000E-02
 C    1.416800      0.7732000     -6.8099998E-02
 C   0.4281000     -0.1763000      1.9700000E-02
 C   -2.364900      -1.259000     -0.4974000    
 C   -3.147600      0.7928000      0.5099000    
 C    2.833800      0.6115000     -4.4000000E-02
 C   -3.660400      -1.774100     -0.4548000    
 C   -4.443100      0.2775000      0.5527000    
 C   -4.699500      -1.006000      7.0400000E-02
 C    4.616900     -0.9985000      0.1273000    
 C    4.805200      -2.493100      0.2767000    
 H   0.5632000      -1.243300      0.1312000    
 H    1.184900       2.891700     -0.2772000    
 H   -1.578800      -1.878300     -0.9221000    
 H   -2.978000       1.793100      0.9011000    
 H   -3.861000      -2.772600     -0.8324000    
 H   -5.252200      0.8746000      0.9631000    
 H    5.083900     -0.6549000     -0.8020000    
 H    5.072300     -0.4785000      0.9771000    
 H   -5.708200      -1.407000      0.1035000    
 H    5.867100      -2.752200      0.3093000    
 H    4.325000      -2.852200       1.192900    
 H    4.336400      -3.025700     -0.5574000    


%chk=000138628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138628

0 1
O 3.333647 -0.764518 0.050576
O 3.664671 1.551239 0.204693
N 0.820918 1.890209 0.196210
N -0.548074 1.818139 0.177060
C -0.823570 0.462379 0.086995
C -2.219292 -0.013096 0.042073
C 1.432590 0.646700 0.123048
C 0.390939 -0.295304 0.051552
C -2.515962 -1.399872 -0.043017
C -3.294905 0.916268 0.084300
C 2.897092 0.552435 0.131749
C -3.853778 -1.846859 -0.084876
C -4.630301 0.467480 0.042460
C -4.917704 -0.916075 -0.042299
C 4.819255 -0.958017 0.054792
C 5.063981 -2.459414 -0.041896
H 0.517346 -1.372007 -0.016693
H 1.294068 2.791499 0.259728
H -1.702590 -2.133582 -0.076096
H -3.064987 1.984375 0.149951
H -4.066030 -2.919870 -0.150478
H -5.448712 1.195368 0.075931
H 5.241727 -0.400837 -0.800749
H 5.220952 -0.518946 0.985816
H -5.956211 -1.263769 -0.074686
H 6.150823 -2.659986 -0.040680
H 4.612353 -2.989102 0.814091
H 4.636454 -2.870237 -0.972354


