%chk=000209345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209345

0 1
O 2.503398 -0.186409 0.171892
O -3.341494 1.873505 -0.863936
O -1.547991 2.526202 0.156135
N -0.621219 -0.178063 0.319584
N -1.768511 -1.980375 -0.473654
N -2.269539 1.657530 -0.324354
C 0.441264 0.656978 0.907082
C 1.587501 0.903783 -0.082231
C -0.613803 -1.563378 0.156506
C -1.831877 0.290046 -0.255800
C -2.515127 -0.858747 -0.728293
C 0.478103 -2.441896 0.606748
C 3.678430 -0.179152 -0.685619
C 4.447079 -1.416857 -0.261564
H 0.004756 1.637095 1.239513
H 0.843807 0.147230 1.818718
H 1.261641 0.882394 -1.137257
H 2.098071 1.861258 0.129868
H -3.480378 -0.885371 -1.218701
H 1.477222 -2.000794 0.396219
H 0.425485 -2.640524 1.688871
H 0.433212 -3.421287 0.098111
H 3.352835 -0.221477 -1.739515
H 4.241874 0.752234 -0.500638
H 5.427929 -1.464153 -0.748870
H 4.609641 -1.426247 0.825630
H 3.901989 -2.336425 -0.509844


%chk=000209345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209345

0 1
O 2.378073 -0.235223 0.137215
O -2.788635 1.744516 -1.713929
O -1.122117 2.484986 -0.323286
N -0.581039 -0.255931 0.409978
N -1.595201 -2.106215 -0.455812
N -1.832963 1.530908 -0.865389
C 0.361627 0.561679 1.207280
C 1.606771 0.978020 0.417065
C -0.641335 -1.645822 0.411523
C -1.550358 0.175343 -0.523385
C -2.159747 -0.985236 -1.033635
C 0.229980 -2.523233 1.250230
C 3.541697 0.019910 -0.731023
C 4.249790 -1.313508 -0.963593
H -0.159174 1.463865 1.559479
H 0.671161 -0.043193 2.075559
H 1.317078 1.496362 -0.520121
H 2.202441 1.685587 1.035209
H -2.954075 -1.041093 -1.772870
H 1.296609 -2.299564 1.073701
H 0.026936 -2.400138 2.331284
H 0.021665 -3.569082 0.979533
H 3.195722 0.462447 -1.690637
H 4.218949 0.751956 -0.238116
H 5.131257 -1.170610 -1.614427
H 4.589338 -1.746016 -0.006553
H 3.569846 -2.033615 -1.450678


