%chk=000251452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251452

0 1
O 0.921790 -0.866290 -1.623537
O -2.733385 -0.263200 -0.607817
O 2.405698 0.639820 -2.438364
O -2.258127 1.162374 -2.348298
N -0.757558 0.823474 -0.583494
N 3.523049 -0.395425 4.097692
C 0.394330 1.436329 -1.272732
C 1.145297 2.380078 -0.309401
C 1.774464 1.672544 0.856565
C 1.381779 0.406594 -1.844518
C 3.088629 1.184597 0.760836
C 1.062934 1.502478 2.053252
C 3.686587 0.538301 1.838175
C 1.643201 0.852519 3.140849
C 2.960924 0.360711 3.036415
C -1.937039 0.621455 -1.308707
C 1.721712 -1.984974 -2.118522
C 2.480564 -2.630139 -0.993428
C -4.111315 -0.415211 -1.082292
C -4.970972 0.673920 -0.508135
C 2.351656 -2.193583 0.329620
C 3.327133 -3.709447 -1.296105
C -5.741645 0.436404 0.638465
C -5.004428 1.933793 -1.124881
C 3.067186 -2.831021 1.348540
C 4.035593 -4.344289 -0.274104
C 3.907041 -3.906795 1.049452
C -6.550940 1.451644 1.157222
C -5.812751 2.945331 -0.601469
C -6.588623 2.704814 0.537792
H 0.011703 2.037166 -2.156200
H 1.918611 2.932141 -0.889539
H 0.434729 3.158079 0.047734
H -0.537233 0.182500 0.185353
H 3.645931 1.305200 -0.172123
H 0.043805 1.883456 2.138056
H 4.700014 0.154789 1.745943
H 1.076790 0.719062 4.058526
H 2.393997 -1.628166 -2.925263
H 0.939963 -2.654005 -2.530376
H -4.112459 -0.421389 -2.189690
H -4.349258 -1.423556 -0.693145
H 1.698434 -1.351875 0.564857
H 3.435222 -4.052152 -2.322859
H 4.533139 -0.432745 4.124229
H 3.134480 -0.223698 5.014989
H -5.709010 -0.534661 1.129613
H -4.385993 2.120972 -2.008545
H 2.968498 -2.479529 2.377580
H 4.690892 -5.181393 -0.508406
H 4.460574 -4.403910 1.843034
H -7.150718 1.265633 2.046303
H -5.837327 3.922367 -1.081507
H -7.219869 3.493709 0.942866


%chk=000251452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251452

0 1
O 1.744315 -0.958890 -1.949539
O -2.695515 -0.218870 -1.603005
O 2.995972 0.822302 -2.801199
O -2.130388 1.910883 -2.470719
N -0.507242 0.328653 -1.875926
N 2.360417 0.468849 4.060628
C 0.631855 1.175341 -2.237265
C 0.884113 2.349498 -1.215366
C 1.264826 1.889821 0.179880
C 1.912758 0.354693 -2.385985
C 2.622689 1.848879 0.592378
C 0.281878 1.467164 1.114350
C 2.993219 1.392213 1.873818
C 0.634791 1.003794 2.396600
C 2.001480 0.950411 2.796168
C -1.792040 0.778833 -2.022344
C 2.960448 -1.841792 -1.925252
C 2.878904 -2.738054 -0.711826
C -4.140577 0.186213 -1.606838
C -4.554497 0.771685 -0.273044
C 2.743681 -2.177519 0.584309
C 2.966660 -4.144315 -0.853149
C -5.136351 -0.050379 0.724945
C -4.361081 2.152566 -0.004627
C 2.697133 -3.013638 1.720002
C 2.931328 -4.982076 0.285498
C 2.795257 -4.418439 1.574631
C -5.516543 0.493136 1.972678
C -4.738021 2.696401 1.243225
C -5.317283 1.868811 2.234422
H 0.426363 1.653035 -3.215063
H 1.680980 2.980013 -1.649013
H -0.048226 2.942499 -1.206636
H -0.329874 -0.600616 -1.490068
H 3.404097 2.183784 -0.101195
H -0.778797 1.505943 0.838575
H 4.051374 1.377463 2.163845
H -0.148550 0.682847 3.094525
H 3.842249 -1.174935 -1.914055
H 2.958518 -2.418629 -2.866075
H -4.287678 0.905614 -2.430928
H -4.664020 -0.759022 -1.820395
H 2.663923 -1.091458 0.704555
H 3.061054 -4.587198 -1.852569
H 3.325949 0.509587 4.373987
H 1.646849 0.228280 4.742576
H -5.289287 -1.118011 0.523825
H -3.908451 2.785875 -0.776158
H 2.584543 -2.565495 2.713800
H 3.001969 -6.068917 0.165545
H 2.761789 -5.067748 2.456892
H -5.969017 -0.150570 2.735465
H -4.586011 3.763401 1.441162
H -5.614233 2.292888 3.200456


