%chk=000239347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239347

0 1
O 1.738698 0.148002 -0.327427
O -1.735936 0.143560 0.327107
O 3.430179 -1.251328 -0.971917
O -3.425367 -1.261924 0.963526
N 3.778272 0.402690 0.667678
N -3.775931 0.401093 -0.666423
C 0.002629 -1.567070 -0.005128
C 3.693759 1.880907 0.834725
C 4.962424 1.235083 0.309867
C -3.693512 1.880386 -0.824814
C -4.961213 1.229723 -0.303631
C 0.742671 -0.666523 -1.022094
C -0.738715 -0.673518 1.017047
C 0.994334 -2.442966 0.769736
C -0.987816 -2.439888 -0.785058
C 3.036435 -0.316251 -0.316723
C -3.033000 -0.322493 0.313757
H 3.057120 2.476952 0.174776
H 3.632575 2.227715 1.872793
H 5.833280 1.101285 0.963327
H 5.262633 1.359932 -0.733797
H -3.057632 2.473448 -0.161456
H -3.632930 2.233353 -1.860841
H -5.831944 1.098539 -0.957790
H -5.261503 1.348028 0.740770
H 0.076535 0.109950 -1.444171
H 1.230081 -1.248318 -1.823270
H -1.225268 -1.260664 1.814830
H -0.073714 0.101465 1.443623
H 1.631094 -1.852489 1.440335
H 1.670976 -2.977507 0.087636
H 0.482724 -3.198357 1.375785
H -1.625455 -1.846450 -1.452200
H -1.663663 -2.979376 -0.106073
H -0.475120 -3.190991 -1.395504


%chk=000239347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239347

0 1
O 1.800020 0.137135 -0.207297
O -1.797140 0.133804 0.207139
O 3.597871 -1.194587 -0.968037
O -3.593520 -1.206456 0.956265
N 3.897758 0.536966 0.598966
N -3.894623 0.535922 -0.598529
C 0.002600 -1.598413 -0.004737
C 3.961535 2.011495 0.708475
C 5.197538 1.179238 0.317962
C -3.961425 2.011168 -0.696391
C -5.196171 1.173196 -0.314270
C 0.831629 -0.707790 -0.961638
C -0.828057 -0.714375 0.956919
C 0.930884 -2.485751 0.863845
C -0.924045 -2.482872 -0.877961
C 3.149593 -0.248855 -0.273303
C -3.146069 -0.255061 0.268770
H 3.472206 2.601592 -0.074949
H 3.881003 2.419150 1.720972
H 5.986211 1.001495 1.055237
H 5.530890 1.211016 -0.726159
H -3.474464 2.596000 0.092438
H -3.880306 2.427076 -1.705478
H -5.983397 0.999645 -1.054085
H -5.531091 1.195965 0.729584
H 0.177646 0.011795 -1.481264
H 1.391082 -1.326050 -1.686174
H -1.386984 -1.337558 1.677633
H -0.175276 0.003070 1.480999
H 1.560724 -1.877390 1.538486
H 1.604037 -3.083799 0.224622
H 0.333836 -3.180158 1.483043
H -1.555078 -1.872100 -1.549289
H -1.595996 -3.085668 -0.241927
H -0.325721 -3.172847 -1.500869


