%chk=000100756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100756

0 1
 O    2.477800       2.416800     -0.9640000    
 O    3.665400     -0.4034000      0.8172000    
 O    5.414300     -0.9202000     -0.5858000    
 N    1.994700      0.1615000      -1.098700    
 N    1.118000     -0.8657000     -0.9468000    
 N  -0.3692000       4.250900      1.0000000E-03
 C  -0.6029000      0.7763000     -0.2538000    
 C  -7.8199998E-02 -0.5865000     -0.5489000    
 C   -2.004500       1.014400      0.1412000    
 C   0.2789000       1.778200     -0.4087000    
 C   -1.008100      -1.719700     -0.3771000    
 C    1.678400       1.486200     -0.8445000    
 C    3.321300     -0.2364000      -1.540400    
 C   -2.974900       1.220900     -0.8364000    
 C   -2.351700       1.031100       1.489900    
 C   -1.793100      -2.134600      -1.447100    
 C   -1.090500      -2.361800      0.8533000    
 C    4.256800     -0.5594000     -0.3990000    
 C   -4.300100       1.445400     -0.4633000    
 C   -3.676800       1.255600       1.863200    
 C   -2.672100      -3.205400      -1.284400    
 C   -1.969400      -3.432700       1.016000    
 C   -4.651000       1.462800      0.8866000    
 C   -2.760200      -3.854500     -5.2900001E-02
 C  -7.8699999E-02   3.143000     -0.1825000    
 C    4.489900     -0.6923000       1.951200    
 C    3.686100     -0.4705000       3.214700    
 H    3.231100      -1.118100      -2.183900    
 H    3.765800      0.5849000      -2.112000    
 H   -2.716600       1.210100      -1.892500    
 H   -1.603600      0.8705000       2.262200    
 H   -1.730900      -1.636200      -2.410700    
 H  -0.4782000      -2.040700       1.691700    
 H   -5.058600       1.606300      -1.223700    
 H   -3.950200       1.268600       2.914200    
 H   -3.288000      -3.533700      -2.116500    
 H   -2.038200      -3.937900       1.974900    
 H   -5.682800       1.637300       1.177200    
 H   -3.444700      -4.688100      7.3799998E-02
 H    4.824000      -1.734700       1.903300    
 H    5.362300     -2.9500000E-02   1.946500    
 H    4.286700     -0.6832000       4.103400    
 H    3.329300      0.5634000       3.267500    
 H    2.799200      -1.112800       3.224400    


%chk=000100756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100756

0 1
O 2.643156 2.350822 -0.586176
O 3.723501 -0.466759 0.703792
O 5.463485 -0.537258 -0.848842
N 1.858136 0.208452 -1.102542
N 0.943450 -0.803805 -1.068182
N -0.135165 4.254114 0.661184
C -0.661773 0.763608 -0.063090
C -0.279094 -0.558687 -0.547368
C -2.061588 1.069098 0.356521
C 0.320333 1.770872 -0.079157
C -1.162241 -1.763233 -0.498104
C 1.686747 1.524839 -0.569289
C 3.179392 -0.145084 -1.637713
C -3.146003 0.762003 -0.510082
C -2.329930 1.703674 1.598202
C -1.148674 -2.680924 -1.581992
C -1.962565 -2.055257 0.638443
C 4.254172 -0.392216 -0.569726
C -4.466992 1.090152 -0.143396
C -3.654998 2.015336 1.970161
C -1.930818 -3.853962 -1.540127
C -2.740423 -3.231789 0.680659
C -4.727380 1.713173 1.099920
C -2.732675 -4.133370 -0.408788
C 0.053409 3.120782 0.329831
C 4.708567 -0.675812 1.816688
C 3.912560 -0.650540 3.115828
H 3.062511 -1.062371 -2.236065
H 3.551868 0.670445 -2.278390
H -2.951906 0.277021 -1.472376
H -1.505757 1.942757 2.278810
H -0.517194 -2.467074 -2.450264
H -1.969899 -1.373960 1.494798
H -5.291730 0.859601 -0.826067
H -3.846692 2.499841 2.933314
H -1.915139 -4.548350 -2.387297
H -3.349069 -3.445601 1.565969
H -5.754930 1.963139 1.385760
H -3.341580 -5.043549 -0.375144
H 5.217013 -1.641246 1.643358
H 5.460205 0.131181 1.758957
H 4.594776 -0.802475 3.971975
H 3.404161 0.319860 3.245391
H 3.153575 -1.451250 3.130416


