%chk=000049129.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049129

0 1
 O    3.753800      2.9000000E-03  0.8736000    
 O   -5.046300     -0.7480000      0.7586000    
 O   -4.441100      0.8533000     -0.7727000    
 N  -0.6745000      -1.303700     -0.6195000    
 N   -1.425000       1.011200     -0.5340000    
 N   -2.952800     -0.7820000     -6.7199998E-02
 C   0.2654000     -0.5103000     -0.2377000    
 C  -0.1903000      0.8954000     -0.1861000    
 C   -1.814200     -0.3840000     -0.8505000    
 C    2.438200      0.1827000      0.5044000    
 C    1.647500     -0.8355000      0.1325000    
 C   0.7469000       1.942100      0.2345000    
 C    1.990500       1.560500      0.5547000    
 C    4.319300      -1.104800      0.1989000    
 C    5.812400     -0.8686000      3.1300001E-02
 C    6.099000      0.3944000     -0.7608000    
 C   -4.172600     -0.1313000     -9.2100002E-02
 C   -6.356300     -0.1742000      0.8320000    
 H   -2.103900     -0.4328000      -1.907200    
 H    1.930700      -1.879600      0.1094000    
 H   0.4205000       2.972800      0.2752000    
 H    2.710600       2.310400      0.8697000    
 H    3.916200      -1.251200     -0.8134000    
 H    4.162700      -2.015300      0.7897000    
 H    6.281700     -0.7720000       1.017400    
 H    6.267900      -1.730100     -0.4692000    
 H   -2.860200      -1.601700      0.5243000    
 H    5.731300       1.286800     -0.2447000    
 H    7.178200      0.5131000     -0.9011000    
 H    5.633000      0.3527000      -1.750500    
 H   -6.297900      0.8575000       1.191400    
 H   -6.944700     -0.7608000       1.542500    
 H   -6.843300     -0.2166000     -0.1468000    


%chk=000049129-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049129

0 1
O 3.904606 0.237565 0.276546
O -5.309961 -0.769064 0.905612
O -4.698783 -0.025912 -1.247208
N -0.906706 -0.749204 -0.349940
N -1.463731 1.585608 0.223325
N -3.149495 -0.199571 0.511637
C 0.197476 -0.041740 -0.093540
C -0.149503 1.381179 0.255346
C -2.018626 0.259838 -0.253684
C 2.535300 0.467175 0.228145
C 1.570368 -0.477204 -0.104336
C 0.906731 2.319124 0.585621
C 2.203573 1.857228 0.572519
C 4.393453 -1.124065 -0.051767
C 5.919447 -1.099054 0.049093
C 6.583865 -0.181309 -0.998375
C -4.402312 -0.301785 -0.057052
C -6.695802 -0.930002 0.416845
H -2.390327 0.440435 -1.288438
H 1.806766 -1.510888 -0.364450
H 0.661221 3.354506 0.837174
H 3.048139 2.510085 0.815825
H 4.059982 -1.384389 -1.077435
H 3.947302 -1.841460 0.666267
H 6.203403 -0.782221 1.070338
H 6.278364 -2.140073 -0.075035
H -3.029565 -0.462129 1.489796
H 6.232009 0.858513 -0.885612
H 7.682674 -0.187195 -0.886995
H 6.345724 -0.512564 -2.026699
H -7.088921 0.032619 0.048884
H -7.261574 -1.278444 1.292490
H -6.732397 -1.672303 -0.398297


