%chk=000259604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259604

0 1
O 5.254344 -0.275020 -1.186717
O 2.918236 2.436521 1.510751
O -2.058502 2.184927 -0.695849
O -0.122952 1.518607 -1.748193
N 2.367648 1.128112 -0.282635
N 5.347892 1.196761 0.540051
N -0.106429 2.990567 0.064257
C 3.215328 -0.012308 0.140255
C 2.746791 -1.313059 -0.531741
C 1.562049 -1.902117 0.180708
C 4.684608 0.284166 -0.265840
C 0.259532 -1.513544 -0.165676
C 1.759521 -2.842692 1.203521
C 2.252726 2.262804 0.497788
C 1.312987 3.357616 -0.038778
C -0.833795 -2.065046 0.507190
C 0.661613 -3.390929 1.871494
C -0.636596 -3.003336 1.525067
C -3.468290 0.225715 -0.827987
C -2.856729 1.355311 -1.604722
C -0.690308 2.157693 -0.878261
C -3.814673 -0.958130 -1.496585
C -3.730044 0.359248 0.542255
C -4.426836 -1.998977 -0.793244
C -4.335134 -0.688563 1.241746
C -4.687175 -1.866390 0.575066
H 3.163192 -0.121423 1.261979
H 3.595887 -2.035690 -0.558538
H 2.526916 -1.144771 -1.608874
H 1.767224 0.982378 -1.109838
H 0.095088 -0.781369 -0.958159
H 2.767279 -3.148707 1.477134
H 1.493784 4.285942 0.558642
H 1.584243 3.599863 -1.096570
H -1.846045 -1.761113 0.237034
H 0.818821 -4.121498 2.663119
H -1.490849 -3.430378 2.045154
H 6.290050 1.473823 0.310632
H 4.864974 1.754161 1.241928
H -0.650003 3.372923 0.833831
H -2.228906 1.014250 -2.452528
H -3.621843 2.076228 -1.957930
H -3.608287 -1.072041 -2.559677
H -3.453368 1.280598 1.055948
H -4.698885 -2.917190 -1.312588
H -4.534386 -0.584986 2.307597
H -5.163697 -2.679838 1.119785


%chk=000259604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259604

0 1
O 4.386239 -0.889535 -2.246912
O 3.557239 2.204039 1.103279
O -2.093016 2.414896 -0.023733
O -0.326910 1.895524 -1.506532
N 2.184545 0.934943 -0.289432
N 5.135551 0.847349 -0.878056
N 0.050334 2.888743 0.577677
C 3.043077 -0.269596 -0.243037
C 2.219548 -1.548369 -0.517448
C 1.301612 -1.903612 0.643342
C 4.245566 -0.141753 -1.234401
C -0.090534 -1.646543 0.588699
C 1.835767 -2.484737 1.823912
C 2.476841 2.060827 0.430307
C 1.462838 3.218698 0.334125
C -0.930342 -1.954129 1.684592
C 1.002754 -2.794131 2.921258
C -0.385736 -2.527228 2.855924
C -3.441391 0.490231 -0.930003
C -3.094109 1.956144 -1.054675
C -0.751151 2.355619 -0.402577
C -2.869609 -0.459032 -1.814668
C -4.372610 0.052223 0.046852
C -3.221221 -1.824626 -1.723401
C -4.721367 -1.312880 0.143080
C -4.146643 -2.254198 -0.744022
H 3.468637 -0.310077 0.778546
H 2.941127 -2.360822 -0.715313
H 1.647816 -1.417878 -1.454745
H 1.358548 0.949867 -0.909264
H -0.527349 -1.209165 -0.316762
H 2.910099 -2.704198 1.879361
H 1.781866 3.969185 1.073653
H 1.554947 3.666271 -0.674724
H -2.004540 -1.748977 1.615499
H 1.432410 -3.246603 3.822444
H -1.034083 -2.768727 3.705959
H 5.946943 1.016004 -1.472736
H 4.947627 1.430846 -0.048497
H -0.385200 3.147657 1.463320
H -2.680663 2.190664 -2.049983
H -3.959550 2.601592 -0.835046
H -2.147442 -0.122350 -2.567440
H -4.824149 0.782684 0.729379
H -2.774953 -2.550827 -2.411426
H -5.443887 -1.641793 0.898240
H -4.418473 -3.313120 -0.672610


