%chk=000223542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223542

0 1
O 2.740129 -0.672704 0.000331
O -2.379211 -2.489552 0.002420
O -3.832382 1.895428 -0.004127
N 0.514183 -1.357550 0.001288
N -1.554055 1.578062 -0.003282
N -3.105179 -0.304563 -0.000908
N 0.864936 0.931670 -0.001977
C 3.829554 0.383385 0.000821
C -0.756947 -0.730035 0.000083
C -0.501981 0.668217 -0.001838
C 1.449565 -0.326093 -0.000177
C -2.069565 -1.314340 0.000767
C 3.706135 1.198394 1.273278
C 5.031140 -0.557017 0.002249
C 3.708210 1.197112 -1.272656
C -2.907302 1.104362 -0.002872
C 0.742229 -2.803377 0.002715
C -1.285931 3.036155 -0.005240
C -4.526068 -0.750489 -0.000629
H 3.596511 0.558921 2.158105
H 4.582450 1.837357 1.428631
H 2.823695 1.859675 1.252512
H 5.030720 -1.213613 -0.877839
H 5.031370 -1.210309 0.884761
H 5.971482 0.005269 0.000815
H 2.825051 1.857514 -1.254464
H 4.584205 1.836845 -1.426606
H 3.601205 0.556722 -2.157136
H 1.824605 -3.023091 0.005213
H 0.274193 -3.267756 0.893311
H 0.278123 -3.269037 -0.889245
H -0.705708 3.318839 0.890690
H -2.240388 3.597703 -0.006647
H -0.704593 3.316219 -0.901271
H -4.572063 -1.856207 0.001985
H -5.048259 -0.372755 -0.896343
H -5.049260 -0.368459 0.892682


%chk=000223542-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223542

0 1
O 2.715975 -0.713858 0.000662
O -2.452204 -2.551384 0.002000
O -3.854430 1.956519 -0.003647
N 0.462543 -1.402031 0.001067
N -1.542656 1.549059 -0.002689
N -3.126888 -0.272645 -0.000908
N 0.832478 0.865873 -0.001414
C 3.812792 0.362958 0.000594
C -0.802810 -0.773522 0.000011
C -0.530122 0.602811 -0.001436
C 1.397863 -0.377087 0.000102
C -2.128462 -1.321366 0.000490
C 3.685052 1.206131 1.282788
C 5.085038 -0.498397 0.003034
C 3.687881 1.202990 -1.283945
C -2.896924 1.128620 -0.002446
C 0.732759 -2.846596 0.002376
C -1.227877 2.989404 -0.004295
C -4.549776 -0.681791 -0.000712
H 3.720281 0.560025 2.177474
H 4.531460 1.914660 1.336562
H 2.743991 1.778019 1.284591
H 5.121584 -1.142998 -0.891787
H 5.120026 -1.140336 0.899830
H 5.976253 0.153557 0.002830
H 2.746444 1.774233 -1.289551
H 4.533947 1.911972 -1.337181
H 3.725873 0.554787 -2.176996
H 1.823413 -2.991183 0.005613
H 0.287192 -3.317304 0.893630
H 0.292584 -3.318133 -0.891160
H -0.640867 3.251444 0.892235
H -2.182340 3.535682 -0.005439
H -0.639952 3.249202 -0.900873
H -4.571652 -1.781422 0.000729
H -5.058622 -0.284691 -0.894383
H -5.059049 -0.282298 0.891643


