%chk=000240662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240662

0 1
O 0.919304 1.648692 -0.741147
O -1.150287 1.702954 0.022407
O 3.896988 -2.182213 -0.805505
O -3.935604 -2.352861 0.550019
O 6.827181 2.128191 1.144226
O -6.705760 2.332859 -0.890521
O 6.814295 2.126277 -1.099098
O -6.978241 1.811429 1.273954
N 2.392621 -0.444662 -0.426327
N -2.466547 -0.552650 0.409571
C -0.054933 -0.449984 -0.101476
C 1.178249 -1.162932 -0.255446
C -1.238210 -1.223005 0.172869
C 1.202607 -2.564988 -0.209221
C -1.181664 -2.623980 0.210317
C 0.028709 -3.281051 0.010243
C -0.189429 0.991342 -0.233811
C 3.668880 -0.999414 -0.701107
C -3.735948 -1.160110 0.585688
C 4.722628 0.055194 -0.873816
C -4.820319 -0.159052 0.853175
C 5.279344 0.695565 0.153219
C -5.267524 0.693877 -0.067591
C 6.355766 1.690655 -0.070136
C -6.381826 1.622538 0.240792
H 2.143037 -3.113535 -0.346960
H -2.088423 -3.214105 0.396266
H 0.060317 -4.374703 0.034596
H 2.340815 0.591795 -0.390091
H -2.436660 0.495531 0.456893
H 5.027271 0.217334 -1.918418
H -5.245989 -0.224558 1.865681
H 0.761759 2.632191 -0.820732
H 5.005077 0.532399 1.202510
H -4.867639 0.767489 -1.086348
H 7.563021 2.795748 1.052037
H -7.453965 2.974642 -0.738410


%chk=000240662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240662

0 1
O 1.077286 1.478523 -0.359370
O -1.195152 1.470779 -0.123593
O 4.040272 -2.453284 -0.563810
O -4.046615 -2.519740 0.476021
O 5.629443 3.235842 0.317366
O -5.671208 3.271425 0.170354
O 7.028054 1.735403 -0.792255
O -7.177062 1.531663 0.541296
N 2.432185 -0.715873 -0.390479
N -2.483593 -0.766736 0.173426
C -0.032860 -0.691926 -0.109588
C 1.222870 -1.420274 -0.206752
C -1.260889 -1.457102 0.077995
C 1.229693 -2.835138 -0.117361
C -1.214074 -2.871924 0.163563
C 0.021966 -3.532319 0.065666
C -0.135019 0.770645 -0.189937
C 3.729298 -1.222668 -0.527466
C -3.770512 -1.284823 0.356672
C 4.804821 -0.186724 -0.634359
C -4.874194 -0.276076 0.410202
C 4.757647 1.079787 -0.132006
C -4.780480 1.076778 0.266203
C 5.923751 1.987678 -0.257358
C -6.000837 1.918285 0.346543
H 2.180925 -3.361448 -0.197793
H -2.146352 -3.419069 0.305027
H 0.046807 -4.625120 0.132949
H 2.324808 0.307498 -0.452723
H -2.380844 0.262320 0.094319
H 5.729581 -0.545846 -1.102717
H -5.860064 -0.726103 0.581738
H 0.871136 2.449575 -0.409818
H 3.891300 1.484708 0.402483
H -3.844560 1.618353 0.087853
H 6.420136 3.834031 0.228775
H -6.498766 3.821798 0.227236


