%chk=000094796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094796

0 1
 O    2.683200     -0.5443000       1.210200    
 O    2.802300     -0.6989000      -1.079500    
 O   -2.560000      -1.452100      9.7000003E-03
 N  -9.6600004E-02 -0.2307000     -1.3300000E-02
 N   -1.253000      0.4666000     -9.8000001E-03
 N   -3.542900      0.6234000      4.1999999E-03
 C    1.000800      0.4565000     -3.1700000E-02
 C    1.149400       1.951000     -4.3400001E-02
 C    2.269200     -0.3449000     -4.8300002E-02
 C   -2.452300     -0.2267000      2.0000001E-03
 H    2.206400       2.231300     -5.4000001E-02
 H   0.6717000       2.362200     -0.9368000    
 H   0.6861000       2.375000      0.8516000    
 H   -1.224000       1.479400     -1.8300001E-02
 H   -4.491000      0.2625000      1.2500000E-02
 H   -3.431000       1.631700     -2.2000000E-03
 H    3.521000      -1.053000       1.249700    


%chk=000094796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094796

0 1
O 2.250989 -1.492252 0.580690
O 3.490927 0.416676 0.126330
O -2.518321 -1.434383 0.527414
N -0.035777 -0.143133 0.230484
N -1.225058 0.504006 0.065054
N -3.565147 0.589097 0.021053
C 1.073482 0.563814 0.070653
C 1.140973 2.036697 -0.281407
C 2.368720 -0.145298 0.253483
C -2.451198 -0.221547 0.229963
H 2.194338 2.344563 -0.358164
H 0.650755 2.248109 -1.253347
H 0.657033 2.664994 0.493509
H -1.258842 1.505944 -0.174992
H -4.474984 0.145738 0.122431
H -3.525734 1.575131 -0.229394
H 3.167144 -1.869157 0.678839


