%chk=000209458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209458

0 1
O -0.637015 1.349575 2.207239
N -0.281760 0.425041 0.154307
N -3.025656 0.659754 -0.325085
C 1.026708 -1.677604 0.553401
C 0.037132 -2.172635 1.626819
C 2.441265 -2.217907 0.844982
C 1.053084 -0.121801 0.514629
C 0.035566 -3.704519 1.714218
C 2.440176 -3.750190 0.927705
C 1.444513 -4.250821 1.983052
C 2.057166 0.416723 -0.491675
C -1.045899 1.125458 1.076454
C 3.003528 1.363812 -0.073724
C 2.042876 -0.002419 -1.830220
C -2.398016 1.680161 0.562024
C 3.929927 1.879592 -0.984299
C 2.969643 0.517074 -2.738120
C -3.260764 2.090426 1.756095
C 3.915406 1.457412 -2.317334
C -4.053398 1.244494 -1.242628
C -4.683127 0.115789 -2.076222
C -5.681740 0.670867 -3.086859
H 0.695141 -2.063852 -0.439606
H -0.982890 -1.809712 1.402126
H 0.299995 -1.738128 2.611338
H 2.818734 -1.792896 1.794620
H 3.146574 -1.886283 0.059206
H 1.309176 0.253882 1.549328
H -0.654093 -4.031573 2.514617
H -0.359443 -4.134333 0.774081
H 2.186915 -4.179665 -0.060334
H 3.457552 -4.111915 1.167019
H 1.779706 -3.938274 2.990780
H 1.427047 -5.355920 1.993695
H -0.654807 0.188024 -0.763881
H 3.014788 1.704384 0.961480
H 1.312806 -0.736659 -2.165312
H -2.151699 2.592243 -0.048536
H 4.662738 2.613909 -0.653786
H 2.954659 0.188138 -3.775652
H -3.447043 -0.083638 0.244871
H -3.582391 1.226888 2.350411
H -2.686992 2.729488 2.447202
H -4.151151 2.643772 1.445694
H 4.636717 1.860167 -3.025109
H -4.844342 1.809883 -0.704486
H -3.541999 1.969858 -1.913747
H -5.184403 -0.617418 -1.414723
H -3.885017 -0.448776 -2.600590
H -6.129706 -0.134999 -3.680593
H -5.205433 1.364817 -3.789556
H -6.501655 1.209105 -2.597522


%chk=000209458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209458

0 1
O -0.582744 1.441167 2.415436
N -0.429330 0.288758 0.379380
N -2.951423 0.729478 -0.335529
C 1.019956 -1.737356 0.713905
C 0.133697 -2.202177 1.897826
C 2.479588 -2.222556 0.917495
C 0.959841 -0.186579 0.537969
C 0.198034 -3.734229 2.097121
C 2.550153 -3.755359 1.117433
C 1.654745 -4.217654 2.290651
C 1.814716 0.333715 -0.623718
C -1.076686 1.072448 1.302452
C 2.767469 1.359132 -0.405561
C 1.648553 -0.167566 -1.941407
C -2.496809 1.517527 0.846292
C 3.539498 1.872017 -1.473020
C 2.414865 0.343353 -3.011815
C -3.475338 1.501170 2.044034
C 3.365465 1.365780 -2.781342
C -3.829782 1.445230 -1.296924
C -4.210890 0.533623 -2.480210
C -5.130662 1.243327 -3.496722
H 0.629221 -2.213713 -0.214091
H -0.912635 -1.881829 1.733448
H 0.476201 -1.691963 2.822008
H 2.901568 -1.717085 1.812452
H 3.106875 -1.924204 0.056565
H 1.316458 0.273941 1.480585
H -0.422820 -4.027841 2.966035
H -0.236382 -4.238854 1.208177
H 2.217683 -4.259715 0.185740
H 3.599588 -4.064550 1.289575
H 2.053168 -3.800545 3.238795
H 1.685495 -5.320658 2.386478
H -0.980658 0.115626 -0.476982
H 2.898896 1.760630 0.606564
H 0.920759 -0.965637 -2.136241
H -2.378125 2.566194 0.505599
H 4.272569 2.664652 -1.284661
H 2.274286 -0.054826 -4.023407
H -3.394124 -0.151756 -0.030671
H -3.644198 0.465598 2.395917
H -3.049344 2.072613 2.885167
H -4.448983 1.941365 1.761940
H 3.961732 1.761989 -3.611021
H -4.762898 1.832834 -0.820233
H -3.272931 2.324222 -1.675709
H -4.719236 -0.374560 -2.094027
H -3.282305 0.191076 -2.975813
H -5.384696 0.575164 -4.339043
H -4.641497 2.142604 -3.915673
H -6.077482 1.564780 -3.023425


