%chk=000014424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014424

0 1
 O   -2.800300      0.2472000      -1.020400    
 O    1.168000       2.934000      0.7196000    
 N   -3.161600      -4.469600      1.9400001E-02
 N  -0.3940000       1.407100     -0.1536000    
 C   -2.982200      -2.089200     -0.5253000    
 C   -3.787300      -3.164900      0.1966000    
 C   -3.600100     -0.7099000     -0.3399000    
 C   -3.910200      -5.502400      0.7381000    
 C   -1.770800      -4.441000      0.4758000    
 C   -2.790600       1.519700     -0.5108000    
 C   -1.603400       2.102000     -7.9000004E-02
 C   -3.990600       2.219400     -0.4327000    
 C   -1.616200       3.398200      0.4364000    
 C   -4.003300       3.515500      8.2699999E-02
 C   -2.816200       4.104800      0.5172000    
 C   0.8782000       1.846400      0.2351000    
 C    1.919400      0.8012000     -7.6000001E-03
 C    4.308600      9.6699998E-02  8.5699998E-02
 C    3.203000       1.048900      0.2922000    
 C    4.025400      -1.253000     -4.7200002E-02
 C    5.609700      0.5695000      2.8600000E-02
 C    5.071700      -2.154500     -0.2422000    
 C    6.655900     -0.3320000     -0.1667000    
 C    6.386900      -1.694100     -0.3021000    
 H   -1.955300      -2.012200     -0.1513000    
 H   -2.903400      -2.314600      -1.596600    
 H   -4.803100      -3.184300     -0.2174000    
 H   -3.874400      -2.909400       1.261100    
 H   -4.611600     -0.6910000     -0.7615000    
 H   -3.662200     -0.4761000      0.7311000    
 H   -3.478400      -6.492100      0.5516000    
 H   -3.921100      -5.328100       1.820200    
 H   -4.946500      -5.542500      0.3843000    
 H   -1.120600      -3.910400     -0.2267000    
 H   -1.664100      -4.006400       1.476500    
 H   -1.362100      -5.458500      0.5145000    
 H   -4.921400       1.776700     -0.7756000    
 H  -0.7442000       3.926700      0.7936000    
 H  -0.4698000      0.4684000     -0.5404000    
 H   -4.937100       4.066600      0.1437000    
 H   -2.827500       5.114400      0.9178000    
 H    1.587100     -0.1304000     -0.4506000    
 H    3.492200       2.010500      0.7098000    
 H    3.020900      -1.659300      1.5100000E-02
 H    5.835300       1.627700      0.1310000    
 H    4.863400      -3.215800     -0.3425000    
 H    7.680200      2.6300000E-02 -0.2133000    
 H    7.201700      -2.396100     -0.4529000    


%chk=000014424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014424

0 1
O -2.336248 0.035694 0.068231
O 1.402182 3.268458 -0.027571
N -3.634861 -4.726873 0.048203
N -0.166053 1.512696 -0.005859
C -2.954721 -2.300674 0.103380
C -4.095649 -3.332248 0.240084
C -3.497793 -0.869780 0.107013
C -4.769794 -5.657797 -0.128108
C -2.712687 -5.189020 1.106300
C -2.575640 1.426940 0.087671
C -1.386800 2.223942 0.050803
C -3.847736 2.027540 0.139466
C -1.502765 3.635223 0.071910
C -3.949158 3.440097 0.158776
C -2.782850 4.233380 0.125984
C 1.136029 2.022972 -0.044193
C 2.181253 0.963691 -0.106413
C 4.664631 0.402258 -0.204612
C 3.505207 1.302377 -0.140804
C 4.553737 -1.018836 -0.253059
C 5.969360 0.975242 -0.220203
C 5.703357 -1.829476 -0.314089
C 7.121481 0.163969 -0.280897
C 6.993661 -1.243331 -0.328193
H -2.232695 -2.398049 0.934974
H -2.411085 -2.494542 -0.838849
H -4.857671 -3.128275 -0.538405
H -4.602932 -3.195774 1.233896
H -4.139144 -0.679138 -0.778158
H -4.088370 -0.667146 1.025003
H -4.387366 -6.669673 -0.351582
H -5.430790 -5.730974 0.773441
H -5.390484 -5.332431 -0.982093
H -1.804957 -4.563111 1.129279
H -3.173123 -5.173359 2.128044
H -2.398582 -6.225168 0.889113
H -4.754805 1.416925 0.164445
H -0.590230 4.233273 0.045931
H -0.283995 0.494572 -0.019084
H -4.938050 3.908945 0.199389
H -2.861711 5.325420 0.141698
H 1.853685 -0.084801 -0.124331
H 3.716636 2.382029 -0.117332
H 3.564684 -1.490448 -0.244376
H 6.070367 2.066834 -0.184065
H 5.599955 -2.919754 -0.351556
H 8.114779 0.625865 -0.291829
H 7.885738 -1.877563 -0.375974


