%chk=000258519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258519

0 1
O -2.502705 0.091426 0.980474
O 2.502828 0.196138 -0.993289
O -3.736457 -1.321359 -0.342660
O 3.740051 -1.339634 0.181206
N -4.075724 1.005252 -0.351609
N 4.074027 0.975070 0.423915
C -5.437835 0.974378 -0.947154
C 5.436409 0.887686 1.013187
C -6.538362 1.107138 0.100745
C 6.536269 1.127330 -0.016254
C -3.497573 -0.199343 0.047286
C 3.498533 -0.184659 -0.094006
C -1.551462 -0.979110 1.268341
C 1.553893 -0.842197 -1.387160
C -0.455138 -0.926302 0.335029
C 0.457582 -0.885659 -0.453355
H -5.488726 1.809040 -1.683837
H -5.558339 0.023409 -1.521628
H 5.485712 1.644371 1.829854
H 5.559217 -0.115833 1.489371
H -6.520213 0.274240 0.816380
H -6.457957 2.036044 0.676538
H -7.529678 1.101512 -0.370040
H 6.519788 0.370289 -0.811740
H 6.453525 2.109063 -0.496072
H 7.527755 1.076867 0.451491
H -3.833273 1.844337 0.178324
H 3.829424 1.862617 -0.018927
H -1.242017 -0.723838 2.305877
H -2.080707 -1.959107 1.240121
H 1.243757 -0.484846 -2.393895
H 2.085296 -1.818920 -1.457314


%chk=000258519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258519

0 1
O -2.612120 0.208719 0.968173
O 2.628278 0.314973 -1.007211
O -3.940256 -1.299581 -0.289302
O 3.928471 -1.302546 0.138468
N -4.456822 0.989729 -0.103202
N 4.452199 0.992633 0.165342
C -5.719576 0.950424 -0.858280
C 5.698225 0.883132 0.941066
C -6.967409 1.013165 0.048391
C 6.965918 1.015889 0.070259
C -3.710808 -0.138041 0.134416
C 3.709446 -0.107440 -0.185449
C -1.634114 -0.891922 1.199972
C 1.652976 -0.757701 -1.352976
C -0.487137 -0.817634 0.290636
C 0.503165 -0.779259 -0.444255
H -5.726754 1.788334 -1.580943
H -5.716131 0.009871 -1.434739
H 5.692255 1.657007 1.731937
H 5.679620 -0.102651 1.435894
H -6.984812 0.154925 0.742214
H -6.987020 1.943475 0.645468
H -7.886698 0.982248 -0.564939
H 6.995997 0.219129 -0.692978
H 7.001864 1.993190 -0.445425
H 7.871312 0.928576 0.698667
H -4.139058 1.860610 0.324144
H 4.144636 1.898726 -0.190176
H -1.315305 -0.763325 2.247734
H -2.161230 -1.857299 1.080418
H 1.337930 -0.522256 -2.383107
H 2.180856 -1.729701 -1.331016


