%chk=000005300.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005300

0 1
 O    1.772000     -0.9069000     -0.8461000    
 O    1.723700       2.601900     -1.0600000E-02
 O    2.504600       1.095600       2.161100    
 O   0.3964000     -0.5060000      -2.709200    
 O    4.065700      -2.204800     -8.2199998E-02
 O   -2.456400       1.886300     -0.3638000    
 O   -3.859000      -2.321400      0.8618000    
 N  -0.9693000      0.1332000     -0.3414000    
 N   -3.227100     -0.2068000      0.2653000    
 N   -2.895400      -1.643300      0.4894000    
 C   0.8895000       1.527500      0.4283000    
 C   0.1608000      0.9268000     -0.7796000    
 C    1.716800      0.4614000       1.161200    
 C    2.588600     -0.3465000      0.1891000    
 C    1.124300      8.9500003E-02  -1.637500    
 C    3.295800      -1.508400      0.8807000    
 C   -2.233300      0.6884000     -0.1603000    
 C   -4.597600      0.2334000      0.4939000    
 H   0.1724000       1.974800       1.127500    
 H  -0.2279000       1.734800      -1.412800    
 H    1.025900     -0.2261000       1.665900    
 H    3.351300      0.2939000     -0.2737000    
 H    1.887300      0.7404000      -2.083000    
 H    2.572300      -2.218100       1.294500    
 H    3.955800      -1.168400       1.684300    
 H  -0.7891000     -0.8326000     -9.2100002E-02
 H    2.204800       2.932200      0.7672000    
 H    1.898600       1.565400       2.759000    
 H    1.028700     -0.6646000      -3.430600    
 H    4.732200      -1.588000     -0.4300000    
 H   -4.708700       1.302600      0.2957000    
 H   -4.866300      4.0800001E-02   1.536900    
 H   -5.266800     -0.3179000     -0.1735000    


%chk=000005300-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005300

0 1
O 1.706234 -0.909761 -0.855036
O 1.822079 2.549775 -0.289550
O 2.533860 1.259389 2.048644
O 0.370057 -0.584826 -2.733569
O 4.324751 -2.087357 0.243459
O -2.293890 1.897070 0.397022
O -4.019362 -2.344902 -0.017307
N -1.023414 0.150147 -0.513182
N -3.240070 -0.255213 0.229722
N -3.022713 -1.564824 -0.201862
C 0.862795 1.598285 0.286254
C 0.111624 0.988250 -0.923633
C 1.636234 0.540306 1.111703
C 2.546680 -0.322726 0.210099
C 1.101282 0.122154 -1.724604
C 3.202798 -1.481804 0.968086
C -2.148148 0.691896 0.042360
C -4.516015 0.169670 0.828651
H 0.135318 2.127352 0.932792
H -0.237454 1.831930 -1.548097
H 0.924099 -0.110562 1.657435
H 3.321357 0.337737 -0.239085
H 1.907739 0.763304 -2.136677
H 2.472634 -2.299759 1.084286
H 3.518550 -1.118407 1.967100
H -1.054722 -0.819164 -0.852343
H 2.450941 2.790728 0.442524
H 2.029150 1.518295 2.860074
H 0.968681 -1.250126 -3.158637
H 5.068449 -1.434462 0.196674
H -4.427857 1.239521 1.063590
H -4.719548 -0.417091 1.740984
H -5.341518 -0.005727 0.117524


