%chk=000248278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248278

0 1
O -1.010216 0.163636 -2.248986
O -2.038803 -2.614724 -0.081161
N -0.318147 -1.365667 0.751486
N 3.733064 -1.460282 -2.285836
C -2.284920 0.843495 -0.356075
C -2.496935 -0.308829 0.412780
C -0.176753 2.090500 -1.116963
C -1.147700 0.940528 -1.335081
C 0.631706 1.880176 0.130928
C -1.627703 -1.533102 0.298278
C 0.667416 -2.459904 0.599019
C -3.169449 1.925525 -0.240575
C -3.582791 -0.373718 1.297323
C 1.734327 -2.109290 -0.410927
C -4.251127 1.858478 0.641186
C -4.456141 0.710257 1.413398
C 0.112602 2.251358 1.381193
C 1.905786 1.298346 0.050471
C 0.866439 2.044220 2.539029
C 2.654223 1.094039 1.212814
C 3.089794 -2.185681 -0.061325
C 1.390178 -1.715061 -1.710560
C 2.137215 1.465419 2.457838
C 4.054304 -1.855800 -1.026885
C 2.415055 -1.399083 -2.614684
H -0.720643 3.057101 -1.075909
H 0.488041 2.175775 -2.007210
H 0.137266 -3.395989 0.272341
H 1.106420 -2.682263 1.598954
H -3.024423 2.818388 -0.848709
H -3.750457 -1.281364 1.881918
H 0.052733 -0.455692 1.019452
H -4.938815 2.700314 0.723013
H -5.301923 0.656339 2.099217
H -0.877360 2.700139 1.450430
H 2.314706 0.999785 -0.916337
H 0.462925 2.337077 3.507702
H 3.644183 0.642892 1.143826
H 3.396412 -2.495842 0.933488
H 0.342476 -1.647295 -2.020682
H 2.723738 1.308655 3.361322
H 5.124967 -1.904567 -0.797718
H 2.187429 -1.085391 -3.640986


%chk=000248278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248278

0 1
O -0.806063 0.370427 -2.003599
O -2.138830 -2.763388 -0.113860
N -0.329640 -1.419903 0.466570
N 4.021928 -2.065781 -2.279503
C -2.328785 0.898955 -0.203310
C -2.586477 -0.416744 0.293069
C -0.391682 2.511072 -0.923235
C -1.172055 1.198131 -1.122265
C 0.572641 2.321695 0.251004
C -1.665102 -1.615060 0.158077
C 0.626568 -2.536445 0.459784
C -3.266574 1.932598 0.067881
C -3.788936 -0.665790 0.998874
C 1.802234 -2.342917 -0.489101
C -4.453405 1.674368 0.783183
C -4.719455 0.365560 1.244685
C 0.274306 2.839453 1.537504
C 1.768887 1.578105 0.070109
C 1.160023 2.630397 2.619291
C 2.653494 1.366095 1.151988
C 3.104577 -2.755616 -0.115524
C 1.633881 -1.784292 -1.781164
C 2.352205 1.892824 2.430122
C 4.170398 -2.602474 -1.031542
C 2.758486 -1.669367 -2.628158
H -1.066553 3.359064 -0.720675
H 0.159858 2.709625 -1.857572
H 0.037240 -3.425843 0.162488
H 1.002321 -2.717780 1.485824
H -3.093866 2.938715 -0.328191
H -3.980108 -1.686672 1.343726
H 0.016764 -0.486455 0.702295
H -5.170585 2.482123 0.963085
H -5.643151 0.149313 1.791765
H -0.649041 3.410714 1.691966
H 2.008668 1.170048 -0.918496
H 0.921604 3.043656 3.605643
H 3.574507 0.794599 0.992780
H 3.292763 -3.191744 0.872796
H 0.653541 -1.432004 -2.116837
H 3.039795 1.733506 3.267963
H 5.186881 -2.915562 -0.765611
H 2.655838 -1.244308 -3.633033


