%chk=000072016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072016

0 1
 O  -0.2265000      0.6764000     -0.8235000    
 N    2.705900     -0.5733000      0.9319000    
 N    2.012400     -0.5520000      -1.235500    
 C   0.5313000      0.5309000      0.4032000    
 C  -0.2783000     -0.2917000       1.423600    
 C   0.8952000       1.920900      0.9175000    
 C    1.777100     -0.2080000      5.2999998E-03
 C   -1.590500     -0.3325000      0.7399000    
 C   -1.482500      0.2194000     -0.5248000    
 C    3.769700      -1.295800      0.3027000    
 C    3.332100      -1.252400      -1.169100    
 C    1.583900       2.746900     -0.1531000    
 C   -2.794100     -0.8473000       1.188200    
 C   -2.558400      0.2806000      -1.390000    
 C   -3.897600     -0.7912000      0.3331000    
 C   -3.780000     -0.2308000     -0.9491000    
 H  -0.3438000      0.1990000       2.399900    
 H   0.1048000      -1.308900       1.558700    
 H    1.538900       1.859100       1.802800    
 H  -1.5400000E-02   2.455000       1.216500    
 H    2.658000     -0.3994000       1.928200    
 H    3.825400      -2.323700      0.6728000    
 H    4.735200     -0.8035000      0.4506000    
 H    4.061300     -0.7074000      -1.778200    
 H    3.231200      -2.263300      -1.577900    
 H    2.535800       2.307100     -0.4657000    
 H   0.9552000       2.881300      -1.038700    
 H    1.804800       3.745300      0.2401000    
 H   -2.883800      -1.287100       2.175700    
 H   -2.463100      0.7121000      -2.380200    
 H   -4.854900      -1.187400      0.6604000    
 H   -4.647400     -0.1973000      -1.602600    


%chk=000072016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072016

0 1
O -0.370700 1.118784 -0.612120
N 2.767203 -0.379829 0.824751
N 1.595073 -0.825605 -1.110965
C 0.529096 0.762766 0.539969
C -0.374500 -0.033859 1.557862
C 1.061145 2.096782 1.112065
C 1.640535 -0.146382 0.012492
C -1.616883 -0.347523 0.739223
C -1.543179 0.355135 -0.484758
C 3.725757 -1.239103 0.087181
C 2.847775 -1.660874 -1.151911
C 1.896840 2.915858 0.107219
C -2.742585 -1.138759 1.021704
C -2.561486 0.304615 -1.450364
C -3.787363 -1.213466 0.062697
C -3.692783 -0.496743 -1.155118
H -0.615445 0.597459 2.435916
H 0.143638 -0.937298 1.922602
H 1.644822 1.889652 2.033514
H 0.179763 2.684292 1.431450
H 3.058507 0.240175 1.578605
H 4.046539 -2.105199 0.693027
H 4.627042 -0.669483 -0.217208
H 3.368780 -1.501008 -2.111573
H 2.559602 -2.727283 -1.099509
H 2.799020 2.364360 -0.215291
H 1.298243 3.135069 -0.792674
H 2.220415 3.872698 0.554779
H -2.817602 -1.691416 1.965337
H -2.471369 0.852742 -2.392099
H -4.669820 -1.829995 0.264470
H -4.504179 -0.565562 -1.888571


