%chk=000219356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219356

0 1
O 1.799888 1.907625 0.638319
O 1.560882 -1.608809 0.611322
O 1.177370 0.872872 -1.272113
O 0.049944 -2.355566 -0.896776
C -1.481631 1.601772 0.279025
C -2.080900 -0.915064 0.401723
C -0.242371 0.792193 0.765526
C -0.598935 -0.715155 0.833844
C -1.924291 1.099640 -1.109998
C -2.624642 1.382911 1.294518
C -2.287180 -0.393833 -1.034468
C -2.976737 -0.115488 1.372658
C 0.944612 1.133332 -0.116332
C 0.308265 -1.634662 0.035226
C 3.015732 2.416464 0.006832
C 2.621169 -2.404611 -0.007175
C 2.682555 3.603601 -0.873290
C 2.457602 -3.863530 0.365196
H -1.219982 2.681925 0.230644
H -2.333583 -1.998029 0.447601
H 0.009167 1.126562 1.808885
H -0.495910 -1.033031 1.906416
H -1.111036 1.252856 -1.847917
H -2.782566 1.691957 -1.470362
H -3.509310 1.969020 0.986294
H -2.336462 1.767213 2.288380
H -1.658529 -0.979978 -1.736996
H -3.331362 -0.559329 -1.349917
H -4.038459 -0.274110 1.110322
H -2.860412 -0.489281 2.404490
H 3.615631 2.685705 0.895037
H 3.490064 1.592036 -0.554443
H 2.589184 -2.236628 -1.099107
H 3.517647 -1.937244 0.438490
H 3.589193 4.093499 -1.246681
H 2.091149 3.293222 -1.748178
H 2.093522 4.354527 -0.332295
H 3.313292 -4.461144 0.030880
H 2.357417 -3.995374 1.449500
H 1.555211 -4.289767 -0.099978


%chk=000219356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219356

0 1
O 1.761466 2.040527 0.542600
O 1.536265 -1.763680 0.703293
O 1.246648 0.553254 -1.177059
O 0.030721 -2.587598 -0.878381
C -1.358922 1.617811 0.619512
C -2.081321 -0.832421 0.071632
C -0.148980 0.646106 0.884018
C -0.674792 -0.831652 0.732335
C -1.820540 1.517212 -0.859045
C -2.532816 1.191569 1.541428
C -2.059281 0.015503 -1.226360
C -3.077930 -0.203657 1.081022
C 1.002031 1.018928 -0.038974
C 0.294663 -1.800197 0.056979
C 2.878531 2.594506 -0.282926
C 2.604416 -2.643538 0.139352
C 2.372382 3.710987 -1.200794
C 2.547503 -4.039607 0.766464
H -1.039055 2.648848 0.860416
H -2.366407 -1.872469 -0.167394
H 0.205344 0.816231 1.915074
H -0.782236 -1.225628 1.764763
H -1.073415 1.967095 -1.537334
H -2.750977 2.106075 -0.972959
H -3.328616 1.958423 1.493923
H -2.188176 1.154953 2.593441
H -1.261437 -0.356623 -1.891291
H -3.018665 -0.107414 -1.762390
H -4.065257 -0.095673 0.593423
H -3.221482 -0.873503 1.950431
H 3.594965 2.966741 0.466869
H 3.326015 1.768982 -0.864016
H 2.475439 -2.686798 -0.955991
H 3.538295 -2.115080 0.391207
H 3.224182 4.170755 -1.735738
H 1.670420 3.312106 -1.952487
H 1.864930 4.499420 -0.618283
H 3.394759 -4.648930 0.399593
H 2.615938 -3.980739 1.866726
H 1.610591 -4.552526 0.492022


