%chk=000179470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179470

0 1
O 1.649955 -1.333225 -1.003085
O 0.186553 0.466724 -0.808319
O 3.652668 2.261741 -0.431117
O 3.863794 0.174928 1.544579
O 2.798352 0.809293 -3.111938
O 0.774829 -2.956570 1.016919
O -3.715671 0.544665 1.760972
O -3.289901 -2.631490 -1.840209
O 0.043059 1.260705 1.823205
C 3.340478 0.892920 -0.707855
C 2.823266 0.201473 0.574078
C 2.257220 0.946306 -1.805406
C 2.302722 -1.218303 0.294283
C 1.193877 -0.170662 -1.641749
C 1.282932 -1.666288 1.355148
C -1.020630 -0.128393 -0.581584
C -1.731993 0.451789 0.498926
C -1.536695 -1.170284 -1.355383
C -3.031410 -0.031465 0.729159
C -2.832428 -1.617440 -1.055829
C -1.066093 1.460931 1.370929
C -3.609903 -1.062263 -0.027725
C -1.828956 2.717424 1.645284
H 4.273192 0.418185 -1.088638
H 2.033745 0.838178 1.078137
H 1.780808 1.964276 -1.829014
H 3.122114 -1.966598 0.188702
H 0.768878 -0.538400 -2.600643
H 0.447427 -0.943341 1.462508
H 1.763728 -1.815059 2.341567
H 3.931412 2.364481 0.513232
H 4.612037 -0.394056 1.261859
H 3.400265 0.034289 -3.174706
H 0.355163 -2.919505 0.123706
H -0.980385 -1.633419 -2.164837
H -4.608497 -1.418618 0.178909
H -1.249059 3.412921 2.268746
H -2.773968 2.504978 2.171982
H -2.094062 3.239156 0.715582
H -4.604798 0.126311 1.910890
H -4.205225 -2.928295 -1.593164


%chk=000179470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179470

0 1
O 1.637595 -1.317392 -1.084696
O 0.173351 0.581165 -0.735471
O 3.934299 2.159638 -0.443788
O 3.920783 0.156067 1.567023
O 2.813011 0.894717 -3.177941
O 0.944524 -3.146901 0.998473
O -3.915335 0.560620 1.774513
O -3.207165 -2.736729 -1.798785
O -0.104458 1.465704 1.921403
C 3.385337 0.842945 -0.736060
C 2.844373 0.182163 0.551229
C 2.288588 0.991703 -1.813374
C 2.330849 -1.241342 0.255468
C 1.164439 -0.055516 -1.619221
C 1.385928 -1.791312 1.334347
C -1.059078 -0.048592 -0.503969
C -1.845086 0.540183 0.535234
C -1.518930 -1.139399 -1.269019
C -3.141115 0.001987 0.742414
C -2.808372 -1.650082 -1.011259
C -1.252556 1.620043 1.415630
C -3.635700 -1.084821 -0.016353
C -2.045750 2.896161 1.630427
H 4.187298 0.171912 -1.138362
H 2.060605 0.806258 1.012756
H 1.855462 2.001103 -1.745400
H 3.182683 -1.941133 0.127240
H 0.721728 -0.307146 -2.599563
H 0.533502 -1.101345 1.482409
H 1.933422 -1.880817 2.287350
H 4.379230 2.095318 0.444364
H 4.612216 -0.502599 1.290366
H 3.376122 0.081381 -3.251202
H 0.510021 -3.102329 0.107044
H -0.918578 -1.608255 -2.049838
H -4.636725 -1.490973 0.181174
H -1.508063 3.554660 2.330068
H -3.054464 2.665972 2.011516
H -2.172600 3.415074 0.660441
H -4.760845 0.062003 1.893833
H -4.111749 -3.052091 -1.552318


