%chk=000269048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269048

0 1
O 2.893986 -1.762489 0.357018
O -6.343079 0.312739 -1.778482
O -7.683596 -0.203390 0.111331
O 4.748109 -2.909844 0.549157
N -1.365293 0.391922 -0.097202
C 2.874212 0.638412 -0.079123
C 4.330634 0.662627 -0.108355
C 2.215126 -0.587049 0.149616
C 5.029113 -0.546384 0.102305
C 2.064523 1.780522 -0.273679
C 0.816745 -0.705557 0.197463
C 0.053184 0.447977 -0.005477
C 5.070156 1.842466 -0.338381
C 4.321567 -1.804839 0.346403
C 0.682971 1.698282 -0.238185
C 6.439360 -0.568317 0.081217
C -5.537387 0.121159 -0.662416
C -3.596331 -0.043309 0.692384
C -6.347104 -0.188871 0.472706
C -4.167382 0.201290 -0.586756
C 6.459520 1.808467 -0.356700
C 7.150880 0.602020 -0.146636
C -4.394242 -0.347077 1.802187
C -5.801237 -0.426711 1.715377
C -2.128447 0.015953 0.878070
C -7.720189 0.110874 -1.323049
H 2.544719 2.745173 -0.456371
H 0.365477 -1.682273 0.363876
H 4.546273 2.783406 -0.503730
H 0.066609 2.581733 -0.402653
H 6.958249 -1.517600 0.246373
H -3.541229 0.438476 -1.449124
H 7.023746 2.725521 -0.536030
H 8.239434 0.590085 -0.164016
H -6.413194 -0.663092 2.581411
H -3.932045 -0.531080 2.773278
H -1.776407 -0.267953 1.887155
H -8.126190 -0.764242 -1.847546
H -8.259944 1.059275 -1.444517


%chk=000269048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269048

0 1
O 2.864756 -1.626540 0.701437
O -6.543014 0.789860 -1.538733
O -7.743583 -0.355036 0.198284
O 4.791260 -2.772615 1.160423
N -1.388783 0.572631 -0.202672
C 2.895934 0.700324 -0.148018
C 4.363018 0.684872 -0.124179
C 2.192773 -0.464444 0.270411
C 5.036538 -0.498273 0.322246
C 2.104488 1.804010 -0.581202
C 0.789661 -0.543561 0.281004
C 0.023199 0.574444 -0.141091
C 5.160341 1.795508 -0.522532
C 4.294818 -1.703521 0.755534
C 0.706178 1.744665 -0.593220
C 6.454688 -0.555085 0.363962
C -5.645542 0.303946 -0.555940
C -3.578042 -0.148797 0.584242
C -6.360280 -0.370682 0.466024
C -4.263652 0.434322 -0.531521
C 6.563536 1.730848 -0.478278
C 7.220395 0.552813 -0.033663
C -4.303052 -0.824075 1.606052
C -5.714867 -0.947768 1.563436
C -2.117724 -0.058890 0.688416
C -7.897922 0.380735 -1.091017
H 2.594931 2.720292 -0.923388
H 0.319688 -1.483682 0.585092
H 4.681632 2.716232 -0.868923
H 0.106241 2.589934 -0.942064
H 6.923573 -1.480743 0.712512
H -3.695122 0.949953 -1.308586
H 7.154834 2.598896 -0.790022
H 8.313749 0.510172 -0.001645
H -6.274659 -1.465593 2.345514
H -3.755031 -1.261112 2.448677
H -1.666826 -0.535526 1.584632
H -8.337255 -0.301634 -1.838288
H -8.509580 1.281422 -0.914015


