%chk=000251506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251506

0 1
O 2.322656 0.729103 0.233351
O 5.667856 0.397645 -0.627582
O -4.466960 0.081936 -0.803574
O 1.454931 -1.237902 1.037934
O 6.792853 0.756276 1.303977
O -7.739804 -1.170330 -0.890081
O -6.886354 0.697840 -1.592291
N 0.133839 0.436953 -0.022779
N -1.020184 -0.268565 0.067475
N -6.813555 -0.394668 -1.063591
C 3.671654 0.380511 0.746989
C 4.570765 1.227038 -0.165740
C 3.737857 0.754002 2.208688
C 1.313989 -0.176346 0.495708
C -3.333570 -0.551340 -0.272193
C 6.759474 0.239774 0.213773
C -3.657711 -1.792579 0.244525
C -5.511850 -0.834114 -0.588411
C -5.060066 -1.976313 0.041744
C -2.128395 0.248897 -0.399885
C 7.760440 -0.619034 -0.469117
H 3.829051 -0.710105 0.574137
H 4.062538 1.499406 -1.112611
H 4.968183 2.130248 0.330386
H 3.172876 0.049933 2.835904
H 4.783930 0.747192 2.566169
H 3.337763 1.757385 2.402323
H -2.980145 -2.489673 0.711978
H -5.646206 -2.837216 0.325677
H 0.205619 1.370876 -0.451626
H -2.265744 1.229094 -0.884986
H 8.719767 -0.087559 -0.583207
H 7.432862 -0.937857 -1.472912
H 7.964639 -1.528306 0.120348


%chk=000251506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251506

0 1
O 2.297780 0.308482 0.054713
O 5.970767 0.094162 -0.371453
O -4.609258 0.322795 -0.637740
O 1.330038 -1.746344 0.715856
O 6.606040 2.117718 0.620165
O -8.041057 -0.709825 -0.602246
O -7.077370 1.281400 -1.244006
N 0.066539 0.101933 -0.081538
N -1.146528 -0.521914 0.022597
N -7.018885 0.072189 -0.789176
C 3.665343 -0.194493 0.418430
C 4.581242 0.590662 -0.534775
C 3.934820 0.051223 1.904956
C 1.238172 -0.584034 0.283186
C -3.512342 -0.468720 -0.233198
C 6.902767 0.971969 0.219044
C -3.967516 -1.729386 0.185705
C -5.739905 -0.480228 -0.455323
C -5.389298 -1.734372 0.043430
C -2.219409 0.162001 -0.335135
C 8.272206 0.333342 0.262560
H 3.696458 -1.275530 0.190010
H 4.309835 0.392934 -1.584032
H 4.545594 1.672622 -0.318256
H 3.205791 -0.498413 2.523664
H 4.942946 -0.316802 2.165421
H 3.884520 1.127096 2.144090
H -3.329894 -2.532436 0.547034
H -6.084102 -2.538641 0.270175
H 0.173498 1.069886 -0.420190
H -2.205518 1.200386 -0.712686
H 8.919992 0.816123 -0.491269
H 8.219371 -0.744157 0.051084
H 8.730360 0.510575 1.249403


