%chk=000289975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289975

0 1
O -2.642042 -3.482202 -1.890996
O -1.901879 0.220550 -0.154389
O 2.726150 -0.900527 -0.114838
N 0.424677 -0.297084 -0.128205
N 1.187245 -2.563191 -0.613551
C -3.342727 -3.101671 0.481811
C -2.665746 -2.490254 -0.790718
C -1.229077 -2.049848 -0.601190
C -2.632813 -4.377936 0.985093
C -3.485381 -2.054495 1.610104
C -0.874329 -0.704249 -0.289550
C -0.131253 -2.930009 -0.770335
C -1.516389 1.647637 0.123464
C 1.394165 -1.254259 -0.287717
C -2.794161 2.448288 0.165373
C 3.032876 0.521977 0.172463
C 4.540342 0.677967 0.220667
C -3.401712 2.894694 -1.035717
C -3.405667 2.763281 1.404335
C -4.601088 3.638933 -0.999491
C -4.604840 3.509810 1.444882
C 5.097811 1.759016 0.948543
C 5.400972 -0.200073 -0.482323
C -5.204953 3.948907 0.242142
C 6.494669 1.970788 0.962015
C 6.798726 0.007604 -0.461395
C 7.350581 1.094631 0.255222
H -4.370712 -3.384487 0.157387
H -3.266319 -1.607064 -1.092368
H -1.641227 -4.139407 1.411667
H -3.231163 -4.862538 1.778353
H -2.486191 -5.106590 0.167595
H -2.494214 -1.775117 2.012542
H -4.083386 -2.467977 2.442722
H -3.974454 -1.130621 1.252646
H -0.313120 -3.965425 -1.069143
H -3.556957 -3.847951 -1.997632
H -0.831175 1.975394 -0.678425
H -0.969283 1.674470 1.082087
H 2.582399 1.142628 -0.626755
H 2.559659 0.816065 1.127547
H -2.934724 2.654021 -1.998341
H -2.943016 2.420456 2.337955
H 4.441053 2.437104 1.508810
H 4.969881 -1.049160 -1.020732
H -5.062015 3.979751 -1.933131
H -5.067896 3.749373 2.408449
H -6.133377 4.530214 0.271630
H 6.913412 2.810205 1.528577
H 7.456759 -0.681206 -1.003194
H 8.434708 1.253576 0.268857


%chk=000289975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289975

0 1
O -2.639907 -3.610655 -1.850996
O -1.894123 0.207653 -0.404118
O 2.699028 -0.893099 -0.310867
N 0.415597 -0.300816 -0.364505
N 1.182032 -2.590389 -0.670544
C -3.316420 -3.077165 0.497859
C -2.659251 -2.546092 -0.820663
C -1.223511 -2.085344 -0.678712
C -2.590337 -4.311524 1.076592
C -3.455389 -1.958744 1.556131
C -0.870908 -0.721541 -0.477358
C -0.126629 -2.970046 -0.790103
C -1.507443 1.647264 -0.234961
C 1.377795 -1.264115 -0.449483
C -2.770876 2.419271 0.059503
C 2.983353 0.536186 -0.064831
C 4.481559 0.699831 0.117578
C -3.239261 3.405795 -0.841711
C -3.493526 2.179602 1.256837
C -4.407709 4.147737 -0.551732
C -4.663758 2.913094 1.545338
C 5.013726 2.011364 0.210255
C 5.353730 -0.409885 0.216946
C -5.122785 3.902028 0.642166
C 6.397402 2.211478 0.406422
C 6.740030 -0.207691 0.410619
C 7.266970 1.099954 0.508023
H -4.345399 -3.388997 0.205486
H -3.269273 -1.688869 -1.173313
H -1.595596 -4.038717 1.474291
H -3.175967 -4.745685 1.907602
H -2.448612 -5.092124 0.307718
H -2.460502 -1.630209 1.910033
H -4.019896 -2.329557 2.431223
H -3.979700 -1.074980 1.150511
H -0.305489 -4.025191 -1.009776
H -3.561372 -3.961261 -1.951881
H -1.016762 1.987397 -1.164135
H -0.770467 1.703057 0.586305
H 2.608722 1.132626 -0.918650
H 2.426116 0.861593 0.835372
H -2.691876 3.591972 -1.773796
H -3.138925 1.413510 1.956649
H 4.346738 2.879758 0.128373
H 4.940401 -1.418592 0.134265
H -4.759546 4.909951 -1.255635
H -5.215289 2.720128 2.472201
H -6.029141 4.474863 0.868020
H 6.796263 3.229821 0.476252
H 7.407412 -1.073878 0.483898
H 8.341571 1.253230 0.658105


