%chk=000252726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252726

0 1
O 4.541177 2.420185 -1.181824
O 3.564179 3.122923 0.708802
N 0.139797 3.798057 -1.579882
C 0.086262 0.615028 -0.181170
C 1.081627 1.813321 -0.151100
C 0.650597 -0.554757 0.605740
C -1.296640 0.976649 0.336815
C 1.224158 -1.681166 -0.085852
C -2.435653 0.214290 -0.112270
C 2.470240 1.424937 -0.692170
C 0.623535 -0.540479 1.982543
C -1.479842 2.007141 1.231889
C 1.745200 -2.760963 0.675356
C -3.728710 0.573073 0.354389
C 1.299093 -1.759330 -1.514383
C -2.325054 -0.899543 -1.005656
C 0.549831 2.922201 -0.949709
C 1.148595 -1.626027 2.738420
C -2.778322 2.356596 1.699100
C 1.695457 -2.711666 2.104535
C -3.879023 1.663554 1.269052
C 3.514959 2.413399 -0.266687
C 2.319245 -3.887661 0.002009
C -4.873304 -0.163422 -0.090978
C 1.854957 -2.847811 -2.136703
C -3.436078 -1.593458 -1.414978
C 2.373205 -3.930172 -1.367623
C -4.731217 -1.218632 -0.955446
H -0.027060 0.317625 -1.264071
H 1.201455 2.164481 0.917527
H 2.463949 1.315373 -1.800211
H 2.772805 0.416141 -0.315203
H 0.186610 0.300122 2.524195
H -0.638812 2.593423 1.603453
H 0.899077 -0.931371 -2.104637
H -1.337523 -1.204116 -1.352687
H 1.102768 -1.574740 3.826126
H -2.874128 3.187377 2.397603
H 2.097402 -3.549574 2.672647
H -4.878447 1.926496 1.612328
H 2.710544 -4.708507 0.602510
H -5.856453 0.133055 0.272282
H 1.909297 -2.903970 -3.223355
H -3.345439 -2.440969 -2.092831
H 2.807889 -4.783196 -1.886893
H -5.595984 -1.783538 -1.299809
H 5.269778 3.054922 -0.939795


%chk=000252726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252726

0 1
O 4.686567 2.409323 -1.078012
O 3.495852 3.260161 0.725533
N 0.269775 3.933539 -1.583066
C 0.078780 0.652613 -0.221142
C 1.110010 1.842048 -0.147202
C 0.635768 -0.574097 0.531378
C -1.322901 1.035371 0.289581
C 1.233441 -1.699729 -0.159219
C -2.463407 0.224819 -0.092857
C 2.526052 1.445115 -0.646826
C 0.578941 -0.585563 1.932109
C -1.528281 2.130945 1.137916
C 1.741813 -2.814027 0.625316
C -3.781466 0.580146 0.400679
C 1.354862 -1.783791 -1.590348
C -2.356829 -0.927901 -0.943692
C 0.629378 3.006065 -0.924407
C 1.092420 -1.673898 2.697644
C -2.826358 2.474135 1.626160
C 1.661020 -2.772869 2.054891
C -3.935126 1.714162 1.263844
C 3.568688 2.471012 -0.241513
C 2.327574 -3.941690 -0.041166
C -4.917701 -0.208309 0.020628
C 1.930883 -2.894477 -2.210607
C -3.481290 -1.677850 -1.297365
C 2.422297 -3.988230 -1.431861
C -4.777025 -1.316858 -0.814681
H -0.020878 0.407301 -1.293830
H 1.222423 2.162858 0.906727
H 2.557436 1.299771 -1.739203
H 2.815169 0.482671 -0.184080
H 0.104148 0.252865 2.453780
H -0.691564 2.770797 1.435275
H 0.997462 -0.962490 -2.220251
H -1.380062 -1.244398 -1.318847
H 1.027890 -1.642447 3.790374
H -2.938544 3.345310 2.280049
H 2.051095 -3.619173 2.632433
H -4.935883 1.973168 1.629034
H 2.703312 -4.772070 0.568589
H -5.905217 0.078798 0.401432
H 2.008639 -2.928792 -3.302740
H -3.369708 -2.552740 -1.947214
H 2.871352 -4.854002 -1.929996
H -5.651187 -1.912201 -1.099861
H 5.366380 3.069909 -0.771989


