%chk=000044784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044784

0 1
 O    2.346700      0.6199000      0.2811000    
 O   -2.453700      0.4662000      0.5214000    
 O    1.870700       2.400800      -1.097800    
 O   -3.946300      -1.232100      8.8000000E-02
 N    3.016000       2.689200      0.8751000    
 N   -4.632200      0.9570000      0.2439000    
 C    1.228800     -0.1345000     -0.1763000    
 C  -6.9300003E-02  0.4624000      0.3844000    
 C    1.395800      -1.588600      0.2876000    
 C   -1.356900     -0.2495000     -5.0099999E-02
 C    2.683800      -2.264800     -0.1966000    
 C   -1.543000     -0.2933000      -1.560700    
 C    2.789100      -3.727800      0.2051000    
 C    2.365200       1.940500     -7.4000001E-02
 C   -3.694500     -4.5400001E-02  0.2688000    
 H    1.231300     -0.1121000      -1.272200    
 H  -0.1620000       1.521600      0.1143000    
 H  -2.1000000E-02  0.4807000       1.482400    
 H    1.389500      -1.621700       1.384900    
 H   0.5523000      -2.194000     -6.0699999E-02
 H   -1.369000      -1.265000      0.3610000    
 H    3.553700      -1.728700      0.2004000    
 H    2.738700      -2.195300      -1.289500    
 H  -0.7281000     -0.8331000      -2.051300    
 H   -1.584400      0.7206000      -1.974800    
 H   -2.469100     -0.7908000      -1.862200    
 H    3.725200      -4.157600     -0.1647000    
 H    1.959600      -4.307900     -0.2116000    
 H    2.770600      -3.835300       1.294200    
 H    3.408200       2.261700       1.707400    
 H    3.123600       3.692800      0.7742000    
 H   -5.611700      0.7600000      6.8700001E-02
 H   -4.374000       1.925800      0.3985000    


%chk=000044784-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044784

0 1
O 2.150559 0.701298 0.627536
O -2.669029 0.565624 0.170049
O 2.201930 2.220449 -1.184000
O -3.995256 -1.375221 -0.090809
N 3.541965 2.494295 0.723757
N -4.881296 0.658948 0.676191
C 1.089412 -0.098650 -0.069447
C -0.276517 0.504303 0.321540
C 1.304029 -1.554188 0.370948
C -1.476855 -0.179227 -0.357705
C 2.659648 -2.144057 -0.077964
C -1.478150 -0.100694 -1.890877
C 2.839660 -3.611434 0.365252
C 2.598918 1.850332 -0.049704
C -3.871725 -0.163379 0.221728
H 1.261627 0.018408 -1.156356
H -0.281194 1.574628 0.044196
H -0.401120 0.438212 1.418697
H 1.213003 -1.614404 1.474080
H 0.482909 -2.169322 -0.049394
H -1.588548 -1.230028 -0.031808
H 3.476196 -1.522346 0.334738
H 2.738935 -2.076100 -1.182369
H -0.636087 -0.680260 -2.311478
H -1.379116 0.945538 -2.229264
H -2.411999 -0.527834 -2.293700
H 3.813912 -4.014760 0.033763
H 2.045810 -4.256932 -0.056069
H 2.794642 -3.701612 1.467095
H 3.804260 2.122678 1.633254
H 3.968639 3.343287 0.364648
H -5.815343 0.272922 0.777389
H -4.690221 1.631224 0.904984


