%chk=000268707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268707

0 1
O 1.785202 1.608967 -0.604933
O -3.774544 2.151150 -1.224399
O -3.167712 2.653276 0.801616
O -5.113564 0.219878 0.564805
O -4.897004 -1.905171 0.218111
N 1.134075 -0.582756 -0.388515
N 3.433251 -0.007826 -0.869093
N 1.417224 -1.934041 -0.295406
N -3.207033 1.938161 -0.174922
N -4.459980 -0.770113 0.303793
C -0.253229 -0.362545 -0.252347
C 5.312495 1.007630 0.450277
C 4.565624 0.958242 -0.887707
C -0.845270 -1.657727 -0.065332
C 6.147889 -0.251100 0.716684
C -1.028070 0.814615 -0.274522
C 2.160953 0.453617 -0.607037
C -2.226922 -1.772020 0.104786
C -2.392351 0.666301 -0.107677
C -2.998236 -0.607317 0.090007
C 0.267271 -2.593262 -0.104054
C 6.935780 -0.132841 2.018563
H 4.599029 1.173201 1.282830
H 5.971714 1.900819 0.456060
H 5.244533 0.651230 -1.716882
H 4.177336 1.973944 -1.147009
H 6.845885 -0.428210 -0.125748
H 5.492073 -1.142510 0.762312
H -0.538049 1.789019 -0.416621
H 3.670097 -0.997307 -0.756684
H -2.700124 -2.753300 0.246682
H 0.208365 -3.668921 0.003253
H 6.275881 0.011323 2.882343
H 7.525937 -1.037523 2.207984
H 7.634374 0.711919 1.997080


%chk=000268707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268707

0 1
O 1.794633 1.791863 -0.615969
O -4.298992 1.779296 -1.009684
O -2.930319 2.921215 0.424408
O -4.994278 0.061178 1.110434
O -4.960136 -1.963232 0.048326
N 1.132687 -0.455171 -0.444095
N 3.397737 0.066621 -0.750165
N 1.497293 -1.816548 -0.432562
N -3.293318 1.865692 -0.212638
N -4.413614 -0.854335 0.416409
C -0.240639 -0.291000 -0.287539
C 5.430617 1.021642 0.398760
C 4.583720 0.931328 -0.891981
C -0.785178 -1.617084 -0.171308
C 6.048668 -0.323727 0.842960
C -1.052527 0.865837 -0.252304
C 2.142088 0.580378 -0.609538
C -2.175227 -1.793924 0.016612
C -2.426987 0.658783 -0.085699
C -2.984339 -0.650793 0.069119
C 0.348539 -2.504721 -0.267363
C 6.935661 -0.180211 2.098361
H 4.805685 1.437579 1.213040
H 6.242827 1.754121 0.216289
H 5.200640 0.538682 -1.723139
H 4.219773 1.932665 -1.179006
H 6.649932 -0.743311 0.009939
H 5.241330 -1.055210 1.051834
H -0.632065 1.866540 -0.368822
H 3.488112 -0.953951 -0.710241
H -2.633366 -2.778582 0.141377
H 0.371356 -3.592118 -0.225559
H 6.352546 0.210630 2.952971
H 7.367912 -1.151387 2.400018
H 7.772128 0.520055 1.915055


