%chk=000236295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236295

0 1
O -0.602020 -2.370778 0.511717
O 2.366957 3.478606 0.166452
O -4.331929 0.824933 0.927783
O 0.264307 -2.756585 -1.548988
O 4.474792 -0.946475 0.394967
O 0.172590 3.609284 -0.397419
O 3.176566 -2.779023 0.325094
O -3.936125 -0.344589 -0.968180
N 2.450286 0.790498 0.088345
C 0.241374 0.513642 -0.415307
C -1.182311 0.800039 -0.719387
C 0.850692 -0.763226 -0.317907
C 1.258583 1.468580 -0.163732
C 2.214511 -0.570124 0.003604
C -2.081281 0.398515 0.456473
C 0.185177 -2.055718 -0.571484
C 1.140451 2.928039 -0.162142
C 3.253629 -1.582219 0.240699
C -3.502193 0.225751 0.005361
C -1.402982 -3.600270 0.435991
C -2.821382 -3.221275 0.073051
C 2.434236 4.930789 0.202882
C -5.761501 0.733249 0.688167
H -1.325307 1.882929 -0.954336
H -1.491556 0.252697 -1.643191
H -2.010027 1.142330 1.279490
H -1.737415 -0.574193 0.900169
H 3.340376 1.227587 0.295609
H -0.941704 -4.291427 -0.294663
H -1.300398 -3.995178 1.462323
H 5.219548 -1.589316 0.553295
H -3.325511 -2.675469 0.878844
H -2.858515 -2.571803 -0.818565
H -3.425537 -4.107931 -0.157004
H 3.459051 5.111720 0.544454
H 1.690823 5.317909 0.907792
H 2.259538 5.326103 -0.803098
H -6.169514 1.493972 1.361859
H -6.097315 -0.272714 0.955149
H -5.987165 0.952942 -0.361168


%chk=000236295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236295

0 1
O -0.882246 -2.374595 0.395776
O 2.283810 3.423817 -0.052752
O -4.313002 1.311089 1.310393
O 0.868997 -3.240384 -0.892577
O 4.629055 -0.693927 0.520467
O -0.034268 3.413506 -0.406796
O 3.450699 -2.701983 0.740049
O -4.090875 -0.209734 -0.436306
N 2.431483 0.748331 0.120375
C 0.230472 0.304839 -0.269608
C -1.233923 0.491573 -0.575507
C 0.933174 -0.934369 -0.088568
C 1.198117 1.335674 -0.131092
C 2.300728 -0.628191 0.152422
C -2.077829 0.657283 0.717515
C 0.357823 -2.295691 -0.251762
C 1.038247 2.787790 -0.218078
C 3.446490 -1.479728 0.486846
C -3.562980 0.522728 0.434613
C -1.656145 -3.645834 0.210266
C -2.542760 -3.553848 -1.035006
C 2.257478 4.903300 -0.116062
C -5.786583 1.216713 1.159875
H -1.373062 1.385681 -1.206834
H -1.621328 -0.383241 -1.122976
H -1.881157 1.623375 1.210194
H -1.806544 -0.150950 1.423794
H 3.305641 1.255261 0.269942
H -0.938319 -4.481900 0.144250
H -2.248251 -3.722394 1.136271
H 5.395249 -1.277530 0.763650
H -3.196667 -2.665509 -0.990791
H -1.929144 -3.505551 -1.950976
H -3.180710 -4.455100 -1.100291
H 3.299128 5.211321 0.049667
H 1.593226 5.306670 0.666418
H 1.897546 5.235044 -1.104235
H -6.189414 1.904533 1.916195
H -6.124480 0.182402 1.341110
H -6.085875 1.521332 0.143125


