%chk=000078402.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078402

0 1
 O   5.7399999E-02 -0.7252000       1.214900    
 N    2.447000      0.3640000      0.3684000    
 N   -1.085700      0.8866000     -5.2999999E-02
 C    3.609500      -1.538400     -0.7041000    
 C    4.920200      0.3448000      0.2998000    
 C    4.901400     -0.7325000     -0.7786000    
 C    2.382600     -0.6255000     -0.7164000    
 C    3.651600       1.198300      0.2555000    
 C    1.245500       1.198100      0.3720000    
 C   2.2100000E-02  0.3210000      0.5750000    
 C   -2.406300      0.3793000     -9.6100003E-02
 C   -3.382700       1.088700     -0.7754000    
 C   -2.693600     -0.8161000      0.5411000    
 C   -4.684000      0.5881000     -0.8187000    
 C   -3.994800      -1.316800      0.4978000    
 C   -4.990000     -0.6146000     -0.1821000    
 H    2.314800     -0.1236000      -1.691200    
 H    1.510000      -1.281100     -0.6387000    
 H    3.689600       1.909500       1.089700    
 H    3.635700       1.784900     -0.6726000    
 H    3.561600      -2.234800      -1.548900    
 H    3.607900      -2.144300      0.2109000    
 H    5.011100     -0.1272000       1.286400    
 H    5.800900      0.9836000      0.1688000    
 H    5.765800      -1.395500     -0.6636000    
 H    4.983700     -0.2630000      -1.766500    
 H    1.270100       1.904800       1.210200    
 H    1.164600       1.773800     -0.5583000    
 H  -0.9533000       1.771200     -0.5385000    
 H   -3.155000       2.026300      -1.274800    
 H   -1.981300      -1.417700       1.085700    
 H   -5.458900       1.134800      -1.348200    
 H   -4.234600      -2.253500      0.9929000    
 H   -6.003200      -1.004500     -0.2159000    


%chk=000078402-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078402

0 1
O -0.000430 -0.820403 1.161171
N 2.490707 0.336297 0.182488
N -1.148780 0.740044 -0.167832
C 3.824835 -1.512991 -0.821291
C 4.964235 0.337901 0.476684
C 5.108715 -0.662249 -0.692887
C 2.580051 -0.613218 -0.952903
C 3.692688 1.194393 0.308096
C 1.245229 1.100238 0.204069
C -0.006046 0.220736 0.448623
C -2.497237 0.287150 -0.084510
C -3.478807 1.023856 -0.802510
C -2.886780 -0.849071 0.675160
C -4.832260 0.633685 -0.763053
C -4.247416 -1.224744 0.705138
C -5.226741 -0.495001 -0.006902
H 2.622952 -0.062803 -1.932149
H 1.668809 -1.237325 -0.956241
H 3.560384 1.853388 1.187500
H 3.818289 1.857221 -0.591141
H 3.885321 -2.184310 -1.699336
H 3.706248 -2.144864 0.079124
H 4.891061 -0.218195 1.430770
H 5.848292 1.001447 0.537923
H 5.991207 -1.311514 -0.539629
H 5.277932 -0.103468 -1.637370
H 1.297064 1.826021 1.040986
H 1.086435 1.707645 -0.732898
H -0.998774 1.563988 -0.756947
H -3.181467 1.902709 -1.390254
H -2.128784 -1.413959 1.220252
H -5.577420 1.211144 -1.321322
H -4.541451 -2.101305 1.293460
H -6.278363 -0.798942 0.025230


