%chk=000231607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231607

0 1
O -1.564744 0.733752 1.126903
O -1.777644 0.615999 -1.187631
O 1.105777 -2.054107 1.541364
O 1.736034 -0.079193 -3.066350
O -0.799562 -2.882877 0.625032
O 2.397881 0.589022 -0.969202
N 0.553795 -0.828420 -1.303411
C -0.009020 -0.622586 0.042322
C -1.480506 -0.108658 -0.013225
C 0.008922 -1.992522 0.737168
C -2.920200 1.107620 1.523700
C -1.152549 1.924787 -1.359997
C 1.635586 -0.017723 -1.688787
C -2.707513 2.151482 2.601876
C -0.915266 2.051004 -2.852123
C 1.338825 -3.284284 2.306166
C 0.402141 -3.337079 3.493506
C 2.942414 0.498203 -3.667030
C 2.866740 2.009223 -3.653059
H 0.626777 0.100951 0.643827
H -2.241265 -0.921870 -0.027955
H -0.125823 -1.094662 -2.028034
H -3.450509 1.501757 0.639234
H -3.422991 0.199626 1.899124
H -1.891381 2.652867 -0.981169
H -0.229680 1.993495 -0.761204
H -3.659289 2.488288 3.027102
H -2.089284 1.754707 3.419905
H -2.176753 3.029314 2.209611
H -0.647716 3.076831 -3.127720
H -0.111994 1.385546 -3.201815
H -1.817382 1.774249 -3.416448
H 2.399300 -3.145735 2.587978
H 1.219345 -4.145638 1.625966
H 0.660691 -4.158075 4.172563
H 0.430383 -2.403464 4.070979
H -0.639811 -3.488607 3.172799
H 2.880594 0.063178 -4.682334
H 3.821962 0.110053 -3.123400
H 3.712595 2.457300 -4.188265
H 1.943741 2.377546 -4.117146
H 2.890781 2.395601 -2.620717


%chk=000231607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231607

0 1
O -1.454714 0.243885 1.068000
O -1.089594 1.218736 -1.118289
O 1.023524 -1.465815 1.998397
O 2.212401 -0.797708 -3.358645
O -0.060500 -2.832732 0.443338
O 2.373137 0.958350 -1.787256
N 1.009321 -0.925509 -1.441618
C 0.474008 -0.511247 -0.146972
C -0.984548 0.038786 -0.294480
C 0.435401 -1.727653 0.778648
C -2.915046 0.479530 1.155901
C -0.356551 2.423729 -0.626843
C 1.896038 -0.150324 -2.152984
C -3.253479 0.686079 2.630603
C -0.919923 3.617356 -1.395751
C 0.953231 -2.555641 3.026795
C -0.380189 -2.495403 3.775866
C 3.126076 -0.048775 -4.267137
C 2.345084 0.940881 -5.136446
H 1.123902 0.268656 0.278395
H -1.613172 -0.707803 -0.823707
H 0.702070 -1.817110 -1.836561
H -3.179027 1.366177 0.546653
H -3.445705 -0.402006 0.737050
H -0.521525 2.522724 0.463615
H 0.722619 2.289624 -0.830387
H -4.338247 0.858617 2.754058
H -2.970200 -0.201348 3.222969
H -2.712128 1.558992 3.034572
H -0.393430 4.542874 -1.098399
H -0.784106 3.475057 -2.481935
H -1.998299 3.746175 -1.195703
H 1.811328 -2.340839 3.682736
H 1.091224 -3.525820 2.517872
H -0.379617 -3.239080 4.594299
H -0.537477 -1.494371 4.212256
H -1.219741 -2.724809 3.098750
H 3.599834 -0.842374 -4.867249
H 3.885036 0.469023 -3.654591
H 3.027754 1.422160 -5.861687
H 1.547973 0.426060 -5.700253
H 1.890661 1.729797 -4.513778


