%chk=000122647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122647

0 1
 O   0.9810000     -0.7054000      0.8497000    
 O    3.801900       2.055900     -0.4287000    
 O    3.870700     -0.6868000      -1.416500    
 O  -0.3150000      0.7560000     -0.4982000    
 O    2.303700       1.637400       1.860100    
 O    1.057200      -3.370700      0.2506000    
 N   -5.730200     -0.3489000      0.1189000    
 C    2.669000       1.193900     -0.4941000    
 C    3.094700     -0.2624000     -0.2989000    
 C    1.666400       1.615400      0.5816000    
 C    1.857500      -1.161900     -0.1838000    
 C   0.5012000      0.6304000      0.6614000    
 C    2.241200      -2.601100      0.1485000    
 C   -1.648600      0.4840000     -0.3452000    
 C   -2.050100     -0.7769000      8.2599998E-02
 C   -2.588600       1.471000     -0.6206000    
 C   -3.408300      -1.054200      0.2366000    
 C   -3.947000       1.193500     -0.4664000    
 C   -4.356700     -6.9100000E-02 -3.7799999E-02
 H    2.231800       1.323300      -1.491100    
 H    3.724800     -0.3429000      0.5957000    
 H    1.303300       2.629200      0.3763000    
 H    1.300600      -1.175900      -1.130200    
 H  -8.5800000E-02  0.8733000       1.557800    
 H    2.757600      -2.653800       1.112800    
 H    2.873700      -3.043800     -0.6260000    
 H    4.295800       1.847900      0.3823000    
 H    4.322200      -1.511200      -1.169800    
 H    2.956200       2.357800       1.848400    
 H    1.323400      -4.279900      0.4694000    
 H   -1.332000      -1.564800      0.2842000    
 H   -2.273500       2.455600     -0.9545000    
 H   -3.715300      -2.043100      0.5675000    
 H   -4.676400       1.969800     -0.6832000    
 H   -6.418200      0.3648000     -8.1100002E-02
 H   -6.028200      -1.264400      0.4285000    


%chk=000122647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122647

0 1
O 0.996681 -0.698171 0.990063
O 3.876943 2.088030 -0.264806
O 3.914690 -0.484800 -1.419316
O -0.291307 1.016047 -0.149763
O 2.524188 1.651979 2.081180
O 0.880628 -3.333667 -0.440890
N -5.741369 -0.543400 -0.094282
C 2.682769 1.234596 -0.340741
C 3.075507 -0.245970 -0.226634
C 1.776981 1.668812 0.823544
C 1.796661 -1.116939 -0.187837
C 0.588467 0.699221 0.972629
C 2.071666 -2.603985 0.005372
C -1.646015 0.570497 -0.079902
C -2.066512 -0.566217 0.647733
C -2.580848 1.323540 -0.822833
C -3.430033 -0.926840 0.646247
C -3.939017 0.952804 -0.833857
C -4.389508 -0.177399 -0.091047
H 2.152806 1.381645 -1.303046
H 3.656131 -0.404470 0.706385
H 1.381724 2.682688 0.617516
H 1.212171 -0.969036 -1.117634
H 0.073775 0.840240 1.939643
H 2.294420 -2.785645 1.077149
H 2.952778 -2.907018 -0.605170
H 4.536449 1.719279 -0.907675
H 4.377062 -1.355563 -1.341468
H 3.392206 2.095519 1.882528
H 0.890527 -4.250582 -0.069492
H -1.333259 -1.181895 1.175817
H -2.233835 2.197596 -1.383166
H -3.750692 -1.811377 1.210438
H -4.657180 1.545068 -1.414093
H -6.422641 -0.013457 -0.628350
H -6.063013 -1.349129 0.432557


