%chk=000239627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239627

0 1
O -3.699274 0.293139 -2.326594
O -6.643048 -1.392322 0.809068
N -1.687260 0.661144 -0.000007
N -4.578901 -0.748551 1.594262
N -5.164925 -0.556062 -0.766353
N -2.263063 0.023228 2.145326
N -0.056561 1.082614 1.848187
N 1.064860 0.704358 1.119096
N 6.994609 -0.063019 -1.377563
C -2.999232 0.148908 -0.044658
C -3.326545 -0.218923 1.292819
C -3.896929 0.003208 -1.162136
C -1.272541 0.557519 1.320636
C -5.544815 -0.933389 0.555304
C -0.924881 1.120293 -1.162404
C -4.913762 -1.126809 2.988430
C -6.189786 -0.783229 -1.822910
C 5.823400 0.071516 -0.589610
C 3.450919 0.593290 0.867412
C 2.243967 0.879533 1.655249
C 5.873531 0.717495 0.672281
C 4.559375 -0.316115 -1.098693
C 4.706225 0.973558 1.379469
C 3.398606 -0.052207 -0.381495
C 8.300357 -0.050289 -0.664319
C 6.967460 -1.071160 -2.471473
H -1.582747 1.183132 -2.056373
H -0.486423 2.117441 -0.966518
H -0.092463 0.425707 -1.386988
H -4.213759 -1.899728 3.352660
H -4.836072 -0.246534 3.651161
H -5.945873 -1.524005 3.037486
H -7.191885 -0.497535 -1.456553
H -6.214575 -1.847704 -2.111133
H -5.946016 -0.179710 -2.717463
H -0.021694 1.002573 2.883768
H 2.429148 1.240208 2.680490
H 6.827199 1.031783 1.090578
H 4.482968 -0.813257 -2.063216
H 4.769327 1.477624 2.344755
H 2.431508 -0.354929 -0.790475
H 8.450720 -0.919737 -0.004958
H 8.384836 0.869650 -0.058412
H 9.121543 -0.022902 -1.399876
H 6.890689 -2.109678 -2.112358
H 7.881463 -0.978359 -3.081345
H 6.114417 -0.867464 -3.143551


%chk=000239627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239627

0 1
O -3.815258 -0.465444 -2.395407
O -7.060529 -0.363914 1.027839
N -1.699044 -0.152017 -0.090873
N -4.811199 -0.181994 1.674766
N -5.420016 -0.409072 -0.647105
N -2.389983 -0.006995 2.102452
N -0.044293 0.097217 1.733941
N 1.083266 0.076607 0.931390
N 7.274791 0.139589 -1.232237
C -3.115965 -0.232793 -0.079590
C -3.485674 -0.139704 1.272399
C -4.061939 -0.375178 -1.147454
C -1.325865 -0.019146 1.236811
C -5.836502 -0.320675 0.707115
C -0.867308 -0.206632 -1.311516
C -5.162667 -0.085073 3.103357
C -6.510877 -0.553100 -1.637263
C 6.049853 0.155962 -0.563733
C 3.513397 0.181499 0.811547
C 2.251511 0.193442 1.541673
C 5.979919 0.298168 0.860566
C 4.810319 0.029452 -1.279271
C 4.741424 0.309011 1.520239
C 3.582958 0.042516 -0.606464
C 8.527036 0.271550 -0.475715
C 7.318482 -0.010999 -2.693494
H -1.553756 -0.315884 -2.165624
H -0.274716 0.715972 -1.414176
H -0.174864 -1.061743 -1.266559
H -4.688967 -0.906995 3.666201
H -4.808901 0.874427 3.517084
H -6.257657 -0.151822 3.179892
H -7.195879 0.308395 -1.574675
H -7.089724 -1.469009 -1.433464
H -6.042621 -0.604393 -2.631083
H 0.012204 0.192740 2.758161
H 2.315949 0.303731 2.643557
H 6.894156 0.398842 1.451393
H 4.813889 -0.079683 -2.367298
H 4.722924 0.417883 2.612557
H 2.649548 -0.056245 -1.170573
H 8.652243 -0.550080 0.258538
H 8.575195 1.232687 0.075302
H 9.380504 0.237351 -1.170484
H 6.859532 -0.965170 -3.022331
H 8.366811 -0.006629 -3.030154
H 6.792391 0.817651 -3.209235


