%chk=000276321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276321

0 1
O -0.071462 0.287750 1.018706
O 2.920920 -0.427246 -1.614168
O 2.610280 1.768912 0.813479
O 1.711216 -2.500114 0.500390
O -1.083918 -1.067657 -0.586673
O -1.179229 3.164265 0.312333
O 4.787753 -1.327971 -0.707326
O 3.909702 2.864858 -0.683797
O 2.229082 -3.683091 -1.363388
O -2.352424 2.644472 2.181508
C 2.291160 -0.314853 -0.303114
C 1.830415 1.154023 -0.254848
C 1.195609 -1.393776 -0.290861
C 0.347311 1.338232 0.108168
C -0.092946 -1.006493 0.465732
C 0.042559 2.623105 0.881836
C 4.189575 -0.986950 -1.698517
C 3.677337 2.589158 0.466223
C -2.426415 -0.887087 -0.283314
C 2.243940 -3.603254 -0.161369
C 4.576089 -1.057024 -3.128868
C 4.365741 3.004836 1.714331
C -2.352335 3.047303 1.044608
C 2.771447 -4.539865 0.861910
C -3.286628 -1.374135 -1.284416
C -2.904618 -0.241690 0.859666
C -4.657049 -1.201906 -1.120282
C -4.285226 -0.090619 1.007709
C -3.483670 3.502921 0.195985
C -5.171790 -0.564963 0.027672
C -6.627892 -0.404278 0.168980
C -7.280504 -0.447938 1.331538
H 3.044070 -0.518623 0.505891
H 2.073292 1.665610 -1.225663
H 0.968993 -1.743001 -1.336014
H -0.285723 1.265323 -0.814115
H -0.353459 -1.666399 1.320422
H 0.787444 3.419822 0.713927
H -0.081091 2.424139 1.968519
H 4.355497 -2.059827 -3.537437
H 5.654263 -0.874121 -3.258667
H 4.025541 -0.331239 -3.750836
H 5.376925 2.564929 1.763426
H 4.486287 4.099137 1.755025
H 3.827373 2.685133 2.622921
H -2.872037 -1.870000 -2.159331
H -2.223289 0.157492 1.616940
H 2.425223 -4.297003 1.880381
H 2.480689 -5.578132 0.636841
H 3.875757 -4.503665 0.880715
H -5.339561 -1.573796 -1.884858
H -4.671146 0.412610 1.896461
H -3.148057 4.001695 -0.727473
H -4.104410 2.639213 -0.104702
H -4.136554 4.198829 0.744904
H -7.164825 -0.252061 -0.772121
H -8.351608 -0.330285 1.411025
H -6.801023 -0.612405 2.286382


%chk=000276321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276321

0 1
O -0.081710 0.605210 0.675142
O 3.501259 -0.647442 -0.977817
O 2.846448 1.938102 0.644617
O 1.420436 -2.550392 -0.253526
O -1.238225 -0.910454 -0.819808
O -1.200352 3.227529 -0.136615
O 4.579916 -1.564751 0.890748
O 3.470753 3.578597 -0.899358
O 1.646229 -3.129450 -2.514212
O -1.712902 3.326905 2.146153
C 2.322413 -0.271452 -0.165771
C 2.056189 1.227864 -0.401007
C 1.131790 -1.145880 -0.608351
C 0.544120 1.537380 -0.294584
C -0.154797 -0.747632 0.149537
C 0.222735 2.955008 0.168313
C 4.569907 -1.308347 -0.329491
C 3.551541 3.093085 0.249961
C -2.571507 -0.899528 -0.337527
C 1.662187 -3.459076 -1.312576
C 5.647421 -1.625504 -1.340056
C 4.372867 3.614673 1.403992
C -2.086654 3.342612 0.954876
C 1.921945 -4.832830 -0.741480
C -3.548314 -1.350871 -1.252748
C -2.947507 -0.461434 0.957729
C -4.900399 -1.375136 -0.865267
C -4.305736 -0.502180 1.329394
C -3.506295 3.464403 0.453117
C -5.312518 -0.958755 0.433531
C -6.748044 -1.014079 0.778841
C -7.332170 -0.674250 1.961731
H 2.546309 -0.448206 0.902141
H 2.431656 1.544507 -1.391553
H 0.975325 -1.078284 -1.701178
H 0.081802 1.370259 -1.289555
H -0.324392 -1.390869 1.030915
H 0.808418 3.690008 -0.407606
H 0.401120 3.066322 1.251678
H 5.228779 -2.234719 -2.159650
H 6.470811 -2.164505 -0.850440
H 6.028549 -0.693076 -1.791608
H 5.079741 2.839579 1.746779
H 4.923630 4.513413 1.092680
H 3.716620 3.854990 2.258586
H -3.232669 -1.679593 -2.247384
H -2.204474 -0.058030 1.651193
H 1.011222 -5.209008 -0.243032
H 2.209604 -5.522921 -1.547257
H 2.715995 -4.784070 0.022789
H -5.655127 -1.729328 -1.578038
H -4.582128 -0.159726 2.332537
H -3.542431 4.011741 -0.501448
H -3.912156 2.450358 0.280165
H -4.128042 3.963997 1.211106
H -7.401762 -1.376267 -0.028844
H -8.414801 -0.758663 2.099909
H -6.760023 -0.307535 2.822023


