%chk=000297056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297056

0 1
O -2.543833 -0.823826 0.916411
O 4.226069 -0.951302 -2.486274
O -3.763482 -1.892384 -0.680365
N 0.845204 -0.838431 0.105383
C -1.909527 0.164506 0.008060
C -0.855616 0.789225 0.969191
C -1.255247 -0.554537 -1.174685
C 0.216627 -0.261669 1.339454
C -0.186859 -1.554531 -0.713682
C -2.986670 1.165601 -0.377111
C -0.222860 2.040028 0.360846
C 1.980363 -1.749164 0.472343
C 2.904590 -1.966065 -0.734321
C -3.962542 1.513048 0.571443
C -3.013147 1.771267 -1.640162
C 3.446854 -0.642066 -1.304232
C -3.453788 -1.754703 0.477035
C -4.953448 2.445123 0.257461
C -4.005940 2.705754 -1.952510
C -3.949647 -2.508623 1.687025
C 4.406588 0.049365 -0.362668
C -4.977420 3.043991 -1.006652
C -4.011325 -4.002532 1.401542
C 3.914687 1.001846 0.541860
C 5.774075 -0.255520 -0.384536
C 4.789668 1.636851 1.426850
C 6.645446 0.386519 0.499542
C 6.154546 1.329955 1.407841
H -1.388204 1.073308 1.912651
H -2.027379 -1.080508 -1.778424
H -0.790568 0.198854 -1.843940
H 1.013374 0.226478 1.940743
H -0.253595 -1.038773 1.982698
H 0.315093 -1.994741 -1.601994
H -0.669753 -2.392288 -0.163724
H -0.975923 2.775904 0.055909
H 0.444127 2.531629 1.077674
H 0.383204 1.788745 -0.520787
H 1.641190 -2.733642 0.860716
H 2.566070 -1.272455 1.292145
H 2.375774 -2.516456 -1.535302
H 3.753786 -2.613869 -0.437531
H -3.944965 1.044623 1.555946
H -2.263632 1.519417 -2.389807
H 2.613032 0.034966 -1.604427
H -5.708344 2.705524 0.997142
H -4.021726 3.167848 -2.938264
H -3.305414 -2.298523 2.567794
H -4.957454 -2.117406 1.948486
H -5.750633 3.769183 -1.252635
H 3.640532 -1.217552 -3.216455
H -3.012532 -4.431433 1.254614
H -4.486292 -4.543826 2.228450
H -4.592048 -4.211930 0.490292
H 2.851162 1.244460 0.550958
H 6.147463 -0.982809 -1.108016
H 4.409139 2.375424 2.129166
H 7.708031 0.152502 0.478420
H 6.833914 1.827822 2.096109


%chk=000297056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297056

0 1
O -2.462812 -0.962402 0.947860
O 4.465619 -1.232117 -2.482317
O -3.843262 -1.837377 -0.737205
N 0.952914 -0.794819 0.181260
C -1.866597 0.133361 0.057354
C -0.818852 0.782005 1.021654
C -1.139265 -0.505310 -1.145027
C 0.276062 -0.251392 1.389217
C -0.029431 -1.475184 -0.700932
C -2.997193 1.105181 -0.301284
C -0.202435 2.076759 0.443720
C 2.097609 -1.665387 0.557859
C 3.035351 -2.012323 -0.616407
C -3.836759 1.591339 0.735922
C -3.217839 1.567146 -1.621111
C 3.630983 -0.777264 -1.347072
C -3.448906 -1.819568 0.450005
C -4.868169 2.513001 0.461337
C -4.247910 2.493954 -1.898912
C -3.975591 -2.701612 1.576234
C 4.526133 0.064064 -0.448897
C -5.076806 2.972404 -0.860243
C -4.716563 -3.948565 1.059054
C 3.986731 1.161497 0.266764
C 5.897537 -0.256410 -0.292232
C 4.802314 1.923172 1.134418
C 6.713912 0.506928 0.571832
C 6.169483 1.597152 1.291030
H -1.359615 1.036837 1.954629
H -1.863516 -1.026251 -1.792168
H -0.671585 0.307594 -1.730766
H 1.040044 0.245586 2.017083
H -0.182285 -1.069702 1.996729
H 0.490118 -1.848869 -1.601213
H -0.482120 -2.363680 -0.189979
H -0.978903 2.796321 0.132322
H 0.422343 2.564583 1.214391
H 0.446677 1.857119 -0.421730
H 1.743960 -2.619941 1.027730
H 2.681233 -1.126210 1.327103
H 2.499277 -2.638378 -1.360365
H 3.870868 -2.626859 -0.228855
H -3.688388 1.232397 1.761013
H -2.599564 1.198541 -2.445009
H 2.792762 -0.152252 -1.716682
H -5.509040 2.872573 1.274419
H -4.406228 2.836366 -2.927748
H -3.134313 -2.966625 2.241817
H -4.658246 -2.073941 2.184518
H -5.876876 3.689002 -1.076813
H 3.930658 -1.855651 -3.036154
H -4.030216 -4.627160 0.522863
H -5.167519 -4.505288 1.899313
H -5.515142 -3.660815 0.354982
H 2.927474 1.415396 0.137921
H 6.316276 -1.082272 -0.875642
H 4.375278 2.773517 1.678637
H 7.775959 0.257478 0.679266
H 6.805164 2.190556 1.958204


