%chk=000231014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231014

0 1
O 1.595524 -0.730654 1.608577
O -6.539698 -0.348934 -0.652177
N 2.074922 1.379510 0.883523
C 4.417028 1.195432 -0.074249
C 4.048860 0.029869 -1.013735
C 4.392281 2.524386 -0.859103
C 3.518517 1.245459 1.183447
C 4.189805 -1.340849 -0.339715
C 4.006855 -2.483286 -1.348639
C 4.979739 3.691111 -0.069585
C 4.107871 -3.848949 -0.672021
C 1.206610 0.298269 1.067318
C -0.192082 0.522302 0.618221
C -1.092514 -0.467889 0.730636
C -2.497722 -0.380997 0.328602
C -2.956787 0.588118 -0.576669
C -3.419352 -1.310478 0.865941
C -4.302297 0.650757 -0.949195
C -4.760187 -1.265921 0.518111
C -5.192136 -0.276921 -0.394481
C -7.108833 0.612531 -1.574490
H 5.462903 1.029079 0.291406
H 3.013500 0.153704 -1.384194
H 4.696819 0.069482 -1.911203
H 4.964195 2.399286 -1.801147
H 3.359366 2.763421 -1.173940
H 3.674267 0.318279 1.790111
H 3.817760 2.102862 1.827597
H 3.434087 -1.439174 0.473432
H 5.175514 -1.428981 0.152559
H 4.764716 -2.406318 -2.151702
H 3.022170 -2.388194 -1.846968
H 6.016301 3.495348 0.229089
H 4.980930 4.610742 -0.665843
H 4.409231 3.894454 0.844217
H 1.810071 2.182032 0.326149
H 3.351199 -3.960443 0.114890
H 3.957952 -4.661215 -1.390661
H 5.087118 -3.996520 -0.203747
H -0.442435 1.502408 0.222574
H -0.780548 -1.433188 1.162537
H -2.254571 1.304119 -1.006690
H -3.070503 -2.070049 1.568736
H -4.634040 1.405898 -1.653164
H -5.483530 -1.969085 0.925981
H -6.987686 1.628190 -1.187448
H -6.665015 0.495531 -2.567164
H -8.166678 0.317167 -1.579425


%chk=000231014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231014

0 1
O 1.477523 -0.900236 1.370080
O -6.820938 -0.218113 -0.693087
N 2.031379 1.271486 0.714332
C 4.438091 1.134370 -0.094150
C 4.266848 -0.143477 -0.958539
C 4.353952 2.407818 -0.981851
C 3.446325 1.174687 1.104892
C 4.575116 -1.471185 -0.228564
C 4.543776 -2.691500 -1.177686
C 4.625540 3.738675 -0.244782
C 4.830023 -4.022258 -0.448838
C 1.126737 0.225180 0.880900
C -0.266312 0.535283 0.452963
C -1.252394 -0.404063 0.580183
C -2.669940 -0.284463 0.225687
C -3.246570 0.886192 -0.342479
C -3.533303 -1.397736 0.460055
C -4.615531 0.954178 -0.663662
C -4.899760 -1.348316 0.147563
C -5.449633 -0.169181 -0.416909
C -7.444438 0.972882 -1.278084
H 5.454075 1.108721 0.360347
H 3.229840 -0.177591 -1.352402
H 4.933708 -0.055875 -1.842428
H 5.088958 2.298869 -1.804192
H 3.359085 2.444642 -1.473900
H 3.537723 0.252716 1.702653
H 3.696468 2.028642 1.763603
H 3.835410 -1.632481 0.578775
H 5.576345 -1.407358 0.249510
H 5.282381 -2.545386 -1.993329
H 3.547613 -2.744176 -1.662549
H 5.608076 3.715721 0.263622
H 4.632921 4.588240 -0.952284
H 3.860459 3.956544 0.523926
H 1.693586 2.151874 0.322282
H 4.084600 -4.198729 0.348882
H 4.795360 -4.882442 -1.143150
H 5.830717 -4.008766 0.023974
H -0.469865 1.534496 0.043175
H -0.929204 -1.365823 1.006487
H -2.617900 1.761904 -0.539359
H -3.114320 -2.312146 0.896651
H -5.021749 1.871429 -1.100399
H -5.560576 -2.201170 0.328346
H -7.355771 1.845980 -0.602956
H -7.000771 1.215785 -2.262983
H -8.504165 0.707856 -1.404032


