%chk=000203279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203279

0 1
O -0.116835 0.270812 -0.051836
O -1.769700 2.050508 1.180142
O -3.017092 -1.990752 -1.319367
C -2.477498 -0.041884 0.088069
C -1.112587 -0.679613 0.438315
C -2.371544 1.505790 0.004012
C -2.935403 -0.560900 -1.299255
C -3.491012 -0.426653 1.171692
C 1.218888 -0.067127 0.075723
C 2.098824 0.982076 -0.302024
C 1.689266 -1.304543 0.518182
C 3.470251 0.739898 -0.219285
C 1.563906 2.297455 -0.758232
C 3.073927 -1.510616 0.589268
C 3.959008 -0.498288 0.224881
H -0.963886 -0.790254 1.525269
H -0.975543 -1.649348 -0.076117
H -3.368306 1.982444 -0.013816
H -1.784930 1.817509 -0.879783
H -3.906740 -0.133941 -1.599650
H -2.177181 -0.353359 -2.081041
H -4.510992 -0.135176 0.898103
H -3.258860 0.098350 2.112467
H -3.491984 -1.500466 1.382020
H -0.810869 1.797032 1.203714
H -3.727097 -2.299972 -0.720398
H 1.011725 -2.104774 0.796990
H 4.173089 1.523264 -0.502011
H 0.563494 2.195460 -1.206526
H 1.471267 2.998370 0.084404
H 2.209626 2.769322 -1.509984
H 3.453164 -2.472512 0.931840
H 5.032425 -0.662812 0.281736


%chk=000203279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203279

0 1
O -0.104838 0.370956 0.021038
O -1.934536 1.952268 1.626280
O -2.917341 -1.750278 -1.623339
C -2.513372 -0.023595 0.171543
C -1.118844 -0.569948 0.545954
C -2.568167 1.521143 0.375382
C -2.804251 -0.314180 -1.326357
C -3.553282 -0.716037 1.086432
C 1.256901 0.006854 0.119200
C 2.168960 0.916894 -0.490990
C 1.707748 -1.160475 0.777646
C 3.546780 0.612472 -0.416246
C 1.656684 2.158437 -1.192919
C 3.093682 -1.435713 0.833326
C 4.017528 -0.551651 0.238107
H -1.010307 -0.640882 1.646238
H -0.977101 -1.568966 0.089880
H -3.618549 1.850233 0.457041
H -2.099160 2.030767 -0.490891
H -3.722772 0.227154 -1.642205
H -1.959008 0.028982 -1.946485
H -4.583799 -0.525229 0.729118
H -3.473962 -0.316253 2.112761
H -3.399720 -1.810977 1.135074
H -0.955229 1.850752 1.495812
H -3.753309 -2.096370 -1.221426
H 1.000383 -1.851403 1.244481
H 4.261720 1.300933 -0.882560
H 0.934841 1.897607 -1.988676
H 1.121943 2.827990 -0.492603
H 2.486930 2.726733 -1.645378
H 3.442965 -2.340507 1.342874
H 5.091285 -0.762417 0.279393


