%chk=000183804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183804

0 1
O -6.197956 0.402636 1.071690
O 6.198520 0.400276 -1.073172
O -2.650927 -1.915652 -1.157675
O 2.651802 -1.912113 1.163060
O -7.824378 1.236118 -0.206850
O -7.485403 1.965366 1.838721
O 7.824904 1.237629 0.202885
O 7.485629 1.961072 -1.844696
N -3.476605 -0.747761 0.619241
N 3.477226 -0.749036 -0.617132
N 0.000173 1.789942 -0.002298
N -7.286454 1.291999 0.868821
N 7.286995 1.290269 -0.872957
C -1.198596 -0.311225 -0.125371
C 1.199205 -0.310739 0.126391
C -4.801517 -1.394425 0.542747
C 4.802223 -1.395323 -0.538939
C 0.000350 -1.024480 0.001463
C -2.477864 -1.065563 -0.302362
C 2.478574 -1.064433 0.305394
C -5.854072 -0.460563 -0.062599
C 5.854726 -0.459622 0.063650
C -1.158393 1.096115 -0.135464
C 1.158827 1.096618 0.132723
H -4.730976 -2.322501 -0.083962
H -5.115329 -1.708073 1.567800
H 4.731857 -2.321632 0.090397
H 5.115974 -1.711835 -1.563133
H 0.000417 -2.120792 0.002928
H -3.358273 -0.035660 1.333494
H 3.358749 -0.038943 -1.333357
H -6.758172 -0.999585 -0.399072
H -5.473329 0.170758 -0.884264
H 6.758874 -0.997592 0.401674
H 5.473962 0.174073 0.883476
H -2.069114 1.698319 -0.258212
H 2.069473 1.699261 0.253861


%chk=000183804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183804

0 1
O -6.064917 0.776425 0.821574
O 6.065423 0.774901 -0.823709
O -2.578007 -2.484958 -0.192716
O 2.578898 -2.484048 0.199459
O -7.793238 1.164641 -0.767969
O -7.171874 2.808426 0.711065
O 7.793752 1.167600 0.764727
O 7.172212 2.807283 -0.718779
N -3.571221 -0.637945 0.818440
N 3.571870 -0.639711 -0.816796
N 0.000149 1.623047 -0.002322
N -7.121547 1.670811 0.181535
N 7.121990 1.671117 -0.186137
C -1.214975 -0.503017 0.123955
C 1.215594 -0.503177 -0.122687
C -4.877569 -1.289981 0.954909
C 4.878291 -1.291980 -0.951450
C 0.000362 -1.214131 0.001622
C -2.496044 -1.289576 0.229672
C 2.496774 -1.289845 -0.226225
C -5.981564 -0.566172 0.174491
C 5.982192 -0.565937 -0.172975
C -1.162347 0.916197 0.088129
C 1.162753 0.916121 -0.090808
H -4.768164 -2.313783 0.553907
H -5.162213 -1.362838 2.020859
H 4.768980 -2.314694 -0.547654
H 5.162971 -1.367714 -2.017188
H 0.000444 -2.308464 0.003132
H -3.459571 0.295745 1.216220
H 3.460123 0.292864 -1.217158
H -6.950745 -1.086545 0.273533
H -5.724315 -0.448637 -0.892107
H 6.951431 -1.086473 -0.270573
H 5.724895 -0.445528 0.893292
H -2.074039 1.526429 0.103879
H 2.074348 1.526449 -0.108247


