%chk=000221476.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221476

0 1
O 4.536589 -0.277017 -0.501429
O 5.084099 -1.278176 1.478970
C -4.234164 -0.149661 -0.070436
C -5.675424 0.344718 0.112580
C -3.217876 0.958988 0.235249
C -6.691578 -0.764023 -0.193149
C -1.778439 0.462531 0.051314
C -8.132749 -0.269973 -0.010062
C -0.757727 1.570531 0.357343
C -9.150317 -1.378240 -0.315484
C 0.647605 1.068588 0.171163
C -10.586689 -0.892005 -0.135036
C 1.272631 1.169688 -1.085040
C 1.339693 0.487179 1.243381
C 2.571388 0.702570 -1.270951
C 2.644656 0.011813 1.083329
C 3.236973 0.129759 -0.174384
C 6.643642 -1.236047 -0.420019
C 7.864983 -1.255543 0.508280
C 5.384255 -0.973906 0.355748
C 9.133370 -1.624498 -0.252319
H -4.090930 -0.517192 -1.104950
H -4.049230 -1.021522 0.586555
H -5.861038 1.216270 -0.544325
H -5.819262 0.711426 1.147232
H -3.403830 1.830714 -0.421407
H -3.361697 1.325425 1.270086
H -6.506313 -1.635668 0.463822
H -6.548152 -1.131022 -1.227729
H -1.589125 -0.409442 0.707595
H -1.630953 0.095291 -0.983035
H -8.319807 0.601509 -0.666373
H -8.277896 0.097073 1.024094
H -0.902320 1.942449 1.392099
H -0.945121 2.448415 -0.293665
H -9.007517 -1.745266 -1.350695
H -8.965757 -2.250077 0.342273
H -10.773108 -0.556146 0.891353
H -10.815051 -0.051931 -0.800700
H -11.305220 -1.689446 -0.354800
H 0.737137 1.615555 -1.922560
H 0.859193 0.400342 2.217821
H 3.071859 0.773212 -2.233698
H 3.179043 -0.441070 1.921748
H 6.537720 -2.209013 -0.949458
H 6.771523 -0.480047 -1.226098
H 7.985807 -0.264511 0.991144
H 7.692235 -1.974233 1.337624
H 9.066467 -2.623673 -0.698752
H 9.346060 -0.915813 -1.061400
H 10.004158 -1.625986 0.415348


%chk=000221476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221476

0 1
O 4.642958 -0.188184 -0.524681
O 5.407289 -0.910885 1.585534
C -4.307934 -0.163549 -0.008575
C -5.771337 0.318925 0.110178
C -3.273352 0.950606 0.268243
C -6.807883 -0.795275 -0.159358
C -1.811565 0.476429 0.113627
C -8.271117 -0.308153 -0.059903
C -0.779424 1.602755 0.402789
C -9.307792 -1.423453 -0.326845
C 0.659115 1.149016 0.209422
C -10.766940 -0.927347 -0.232265
C 1.262929 1.176437 -1.075789
C 1.426463 0.649411 1.290460
C 2.581059 0.721521 -1.271085
C 2.751998 0.185833 1.123597
C 3.318561 0.228127 -0.171541
C 6.857727 -1.059578 -0.415319
C 8.032076 -1.489168 0.486552
C 5.594521 -0.731377 0.364270
C 9.281244 -1.859310 -0.340031
H -4.139982 -0.574622 -1.026099
H -4.139783 -1.003879 0.696887
H -5.939283 1.154687 -0.601199
H -5.938800 0.737115 1.124980
H -3.456743 1.800784 -0.422267
H -3.425904 1.346425 1.294419
H -6.648527 -1.625888 0.559909
H -6.632453 -1.221911 -1.169386
H -1.618819 -0.376119 0.795721
H -1.651401 0.093654 -0.914776
H -8.432206 0.519931 -0.781837
H -8.448202 0.121147 0.948690
H -0.928804 1.961523 1.440100
H -0.998722 2.459229 -0.265701
H -9.127104 -1.854370 -1.333021
H -9.148958 -2.248895 0.397011
H -10.983448 -0.522106 0.774347
H -10.959681 -0.121484 -0.965614
H -11.486761 -1.743039 -0.429857
H 0.696645 1.564608 -1.931068
H 0.984618 0.623471 2.294202
H 3.054609 0.745166 -2.257299
H 3.326802 -0.190649 1.969870
H 6.609011 -1.862336 -1.138698
H 7.125478 -0.179094 -1.030327
H 8.270937 -0.670020 1.190606
H 7.717790 -2.346082 1.110570
H 9.070802 -2.698724 -1.029612
H 9.628991 -1.003300 -0.948766
H 10.115098 -2.165107 0.317131


