%chk=000227830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227830

0 1
O 0.696003 1.557527 -0.652019
O 1.837012 -2.085874 -0.467888
O 2.506233 2.433196 0.424343
O 3.967104 -1.446613 -0.258130
O -2.311925 2.927591 0.113502
C 0.665671 -0.361032 0.707730
C -0.148501 0.891714 0.336823
C 2.156739 0.052937 0.583758
C -1.531715 0.612987 -0.282513
C 0.509322 -1.472328 -0.356367
C -2.215281 -0.650437 0.368874
C 2.092669 1.313585 -0.346098
C -1.953017 -2.012061 -0.316330
C -0.523434 -2.528184 -0.016613
C 2.816407 -1.170876 -0.076319
C 2.849426 0.335072 1.903873
C -2.550923 1.751856 0.063199
C -1.478319 0.583456 -1.809237
C -3.675728 -0.243537 0.460305
C 2.833482 1.246342 -1.660869
C -2.956660 -3.077322 0.140980
C -3.853922 1.077751 0.329484
H 0.421947 -0.727663 1.724257
H -0.229738 1.594780 1.197088
H 0.328876 -1.042224 -1.378692
H -1.853416 -0.737205 1.428516
H -2.063016 -1.886902 -1.422115
H -0.431898 -2.854970 1.036826
H -0.319556 -3.444390 -0.611469
H 2.409775 1.212503 2.403381
H 2.805120 -0.515529 2.591863
H 3.911743 0.581903 1.742445
H -1.122651 1.554392 -2.195595
H -0.758477 -0.164891 -2.177383
H -2.455519 0.373758 -2.255818
H -4.439681 -0.984163 0.650350
H 2.718995 2.178085 -2.232395
H 3.912342 1.095997 -1.497578
H 2.469100 0.434611 -2.303224
H -3.972519 -2.855785 -0.206119
H -2.697884 -4.064729 -0.262976
H -2.989651 -3.176021 1.231682
H -4.765784 1.648553 0.394292
H 2.055644 3.250842 0.108275


%chk=000227830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227830

0 1
O 0.750106 1.364512 -0.926483
O 1.901500 -2.158962 -0.378633
O 2.368315 2.485604 0.430566
O 4.078778 -1.401982 -0.110621
O -2.269355 2.978101 0.207724
C 0.661500 -0.358601 0.655236
C -0.125139 0.878293 0.182502
C 2.160020 0.057659 0.585011
C -1.577526 0.618648 -0.308056
C 0.539065 -1.524387 -0.357321
C -2.238471 -0.670241 0.342348
C 2.133671 1.306628 -0.402588
C -1.978300 -2.050919 -0.342370
C -0.533345 -2.567821 -0.053077
C 2.860529 -1.187977 -0.010923
C 2.816947 0.364490 1.949090
C -2.553050 1.753181 0.146167
C -1.699095 0.628287 -1.865795
C -3.689393 -0.239097 0.536010
C 3.072637 1.281204 -1.606006
C -2.991835 -3.128909 0.112146
C -3.854080 1.113939 0.464784
H 0.386516 -0.687192 1.672230
H -0.130653 1.654771 0.972546
H 0.399525 -1.119655 -1.375677
H -1.833815 -0.767721 1.376858
H -2.087932 -1.924866 -1.437335
H -0.456580 -2.882861 1.007479
H -0.345969 -3.464458 -0.672985
H 2.312310 1.210539 2.439988
H 2.767161 -0.525545 2.602323
H 3.877373 0.630939 1.811433
H -1.415243 1.623206 -2.244542
H -1.032885 -0.104743 -2.346916
H -2.738991 0.413735 -2.170257
H -4.480346 -0.951125 0.791047
H 2.915555 2.185761 -2.220676
H 4.120902 1.251434 -1.267031
H 2.887495 0.399687 -2.241956
H -4.014632 -2.911735 -0.242652
H -2.707215 -4.117541 -0.291388
H -3.020388 -3.215549 1.215622
H -4.766662 1.682320 0.657901
H 2.195390 3.285651 -0.129623


