%chk=000042245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042245

0 1
 O   -1.749000       2.231300      0.3319000    
 O   -3.900100      -1.480700     -0.4420000    
 O   -2.620200     -0.8005000       1.311300    
 N    2.639800      4.7200002E-02 -0.6210000    
 N  -9.5799997E-02  0.7395000     -0.3345000    
 C    2.227400      0.7322000      0.6162000    
 C    1.642700      -1.031800     -0.7231000    
 C    1.892500     -0.3966000       1.598000    
 C    1.504400      -1.574500      0.7043000    
 C   0.9728000       1.551500      0.2664000    
 C   0.3286000     -0.3808000      -1.194500    
 C    4.011500     -0.4507000     -0.5635000    
 C   -1.415100       1.187400     -0.2339000    
 C   -2.470400      0.3109000     -0.8613000    
 C   -2.969000     -0.6845000      0.1459000    
 H    2.996500       1.405900       1.010300    
 H    1.929200      -1.814600      -1.434200    
 H    1.086800     -0.1306000       2.290400    
 H    2.770800     -0.6639000       2.197100    
 H    2.197900      -2.406800      0.8720000    
 H   0.4944000      -1.935200      0.9254000    
 H   0.5865000       2.054000       1.160800    
 H    1.220800       2.334300     -0.4617000    
 H   0.4383000      2.0199999E-02  -2.209500    
 H  -0.4420000      -1.155200      -1.221600    
 H    4.200400      -1.141100      0.2649000    
 H    4.710500      0.3877000     -0.4708000    
 H    4.262100     -0.9665000      -1.497100    
 H   -2.133400     -0.1770000      -1.776300    
 H   -3.310200      0.9609000      -1.136600    
 H   -4.253100      -2.151300      0.1809000    


%chk=000042245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042245

0 1
O -1.710546 2.051609 0.605135
O -4.152952 -1.017230 0.354341
O -2.044072 -1.959959 0.158924
N 2.716734 0.049279 -0.598440
N -0.064089 0.779356 -0.445960
C 2.192420 0.786131 0.600091
C 1.654645 -0.998125 -0.756862
C 1.720189 -0.322154 1.608637
C 1.378491 -1.541705 0.688442
C 1.004365 1.646249 0.119830
C 0.399643 -0.304647 -1.347869
C 4.079574 -0.502288 -0.416326
C -1.381562 1.096037 -0.165982
C -2.501203 0.262125 -0.842122
C -2.825961 -1.008931 -0.079936
H 2.971802 1.450863 1.011396
H 1.988688 -1.778119 -1.463140
H 0.843100 0.013753 2.188034
H 2.523015 -0.566815 2.326096
H 2.033919 -2.403761 0.905626
H 0.332919 -1.872369 0.799444
H 0.555869 2.228251 0.940924
H 1.363035 2.345967 -0.660223
H 0.669166 0.117746 -2.336913
H -0.395629 -1.056669 -1.464350
H 4.191348 -1.192191 0.453693
H 4.790648 0.332436 -0.283710
H 4.371940 -1.052283 -1.328582
H -2.228893 -0.011911 -1.876437
H -3.392672 0.903740 -0.866337
H -4.328331 -1.853685 0.866777


