%chk=000090626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090626

0 1
 O   0.6936000     -0.8930000      -1.825600    
 O  -0.3241000      -3.086300     -8.3899997E-02
 O  -0.2720000     -0.1454000       2.112300    
 N    2.092200      -1.626000     -0.1020000    
 C    1.475500      0.7403000     -0.4105000    
 C   0.5893000       1.295600      0.4838000    
 C    2.048800      -3.043600     -0.4540000    
 C    1.394500     -0.6510000     -0.8356000    
 C    2.491700       1.541800     -0.9312000    
 C  -0.5107000      0.4638000       1.058900    
 C   0.6647000       2.610900      0.8860000    
 C    2.905300      -1.289000       1.058100    
 C   0.8976000      -3.723300      0.2678000    
 C   -1.817200      0.3561000      0.4297000    
 C    2.594400       2.877700     -0.5431000    
 C    1.681000       3.412200      0.3654000    
 C   -2.079300       1.043500     -0.7556000    
 C   -2.808300     -0.4350000       1.010700    
 C   -3.332300      0.9400000      -1.359500    
 C   -4.061400     -0.5384000      0.4067000    
 C   -4.323300      0.1491000     -0.7784000    
 H    3.007000      -3.514300     -0.2116000    
 H    1.894400      -3.117300      -1.536400    
 H    3.209800       1.137100      -1.639800    
 H  -4.3299999E-02   3.032400       1.593200    
 H    2.543400      -1.857800       1.919700    
 H    2.893100     -0.2318000       1.321300    
 H    3.940400      -1.576800      0.8494000    
 H    1.009700      -3.658300       1.354200    
 H   0.8334000      -4.780300     -8.1000002E-03
 H    3.385600       3.501600     -0.9483000    
 H    1.761000       4.452300      0.6675000    
 H   -1.337400       1.669300      -1.242200    
 H   -2.629500     -0.9815000       1.932900    
 H   -3.536700       1.474800      -2.282500    
 H   -4.833200      -1.154600      0.8587000    
 H   -5.298900      6.8300001E-02  -1.248700    
 H  -0.4303000      -3.165700      -1.047300    


%chk=000090626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090626

0 1
O 1.058635 -0.688731 -2.022696
O -0.145999 -3.082148 -2.336727
O -0.273192 1.112715 2.706864
N 1.515917 -1.456697 0.125039
C 1.557489 0.993216 -0.378427
C 0.793999 1.653116 0.629901
C 1.325853 -2.875484 -0.309785
C 1.352776 -0.445186 -0.795935
C 2.546549 1.719884 -1.089253
C -0.302931 0.996572 1.439711
C 1.088896 3.006284 0.944673
C 2.033883 -1.266016 1.496859
C -0.071855 -3.225723 -0.890348
C -1.424215 0.272747 0.761413
C 2.811792 3.070711 -0.784377
C 2.085255 3.715207 0.244539
C -1.696201 0.415779 -0.626609
C -2.275850 -0.542836 1.559062
C -2.788151 -0.263095 -1.208267
C -3.361132 -1.221841 0.975309
C -3.617615 -1.086087 -0.412765
H 1.518740 -3.490695 0.586582
H 2.085316 -3.132514 -1.075065
H 3.101637 1.210809 -1.883769
H 0.516586 3.489835 1.742821
H 1.270520 -1.538825 2.248367
H 2.325837 -0.220656 1.665705
H 2.924538 -1.903802 1.648650
H -0.848392 -2.625028 -0.369721
H -0.272207 -4.294190 -0.693451
H 3.581230 3.614888 -1.342285
H 2.289562 4.761798 0.493792
H -1.063280 1.054403 -1.250297
H -2.065387 -0.619187 2.631211
H -2.984241 -0.158795 -2.279966
H -4.008557 -1.854672 1.592030
H -4.457636 -1.620705 -0.869770
H 0.240330 -2.177649 -2.541016


