%chk=000216668.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216668

0 1
O 6.501508 -0.701145 0.025382
O -6.372712 -1.123462 0.376833
O 6.386004 1.586185 -0.486480
O -6.436284 1.153686 -0.186903
C 0.660724 0.334859 0.340626
C -0.620319 0.093596 -0.469333
C 1.912699 0.177356 -0.532629
C -1.872242 0.249736 0.404244
C 3.193649 0.419467 0.277547
C -3.153254 0.009134 -0.406289
C 4.438467 0.259675 -0.598071
C -4.397908 0.164723 0.470321
C 5.726426 0.496215 0.184147
C -5.685992 -0.068630 -0.312649
C 7.866688 -0.611502 0.519852
C -7.731936 -1.365273 -0.081729
C 8.573352 0.557262 -0.184334
C -8.535603 -0.061190 0.039725
C 7.734384 1.827183 -0.037063
C -7.790765 1.068203 -0.672973
C 8.463171 -1.968858 0.181411
C -8.231843 -2.469421 0.836807
H 0.704914 -0.370063 1.193279
H 0.637927 1.347703 0.787363
H -0.664966 0.799344 -1.321316
H -0.597115 -0.918776 -0.917046
H 1.935873 -0.835651 -0.979383
H 1.868422 0.881972 -1.385820
H -1.827956 -0.456174 1.256322
H -1.895348 1.262087 0.852566
H 3.170815 1.435067 0.719838
H 3.237488 -0.287658 1.129324
H -3.198176 0.719365 -1.255487
H -3.129525 -1.004766 -0.852286
H 4.477695 -0.755754 -1.050425
H 4.409785 0.962686 -1.459643
H -4.369607 -0.542234 1.328616
H -4.436521 1.178122 0.927361
H 5.625703 0.733440 1.259523
H -5.584360 -0.329008 -1.382569
H 7.814523 -0.446288 1.618951
H -7.672994 -1.704090 -1.139920
H 9.592271 0.701977 0.211627
H 8.686592 0.319169 -1.262464
H -8.649684 0.198728 1.112714
H -9.555376 -0.184274 -0.361318
H 7.704004 2.195932 1.002639
H 8.066232 2.635519 -0.713480
H -7.769657 0.935812 -1.768376
H -8.193471 2.066216 -0.422243
H 8.375116 -2.181328 -0.893409
H 9.519618 -2.030430 0.457865
H 7.921767 -2.772415 0.698190
H -8.147068 -2.173169 1.891881
H -9.275807 -2.726028 0.635340
H -7.623328 -3.376434 0.723145


%chk=000216668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216668

0 1
O 6.940465 -0.503801 -0.673533
O -6.827104 -0.605062 0.955486
O 5.880469 1.423908 0.341409
O -5.921336 0.625209 -0.924852
C 0.701317 -0.130925 0.409312
C -0.621763 -0.392969 -0.344906
C 1.959423 -0.371983 -0.454320
C -1.873161 -0.226340 0.545984
C 3.276014 -0.075332 0.297317
C -3.198674 -0.453577 -0.213867
C 4.527049 -0.373837 -0.557146
C -4.431604 -0.362763 0.711791
C 5.829479 -0.029796 0.154203
C -5.749722 -0.526654 -0.033500
C 8.253971 -0.190779 -0.046391
C -8.152679 -0.761169 0.296367
C 8.352218 1.333937 0.186029
C -8.379101 0.423992 -0.669249
C 7.139190 1.814188 1.007190
C -7.199589 0.522227 -1.657329
C 9.324637 -0.750064 -0.981369
C -9.186121 -0.859879 1.416764
H 0.744815 -0.783115 1.307139
H 0.708371 0.913725 0.784572
H -0.692906 0.295542 -1.212592
H -0.606816 -1.421025 -0.764491
H 1.963665 -1.424863 -0.807579
H 1.908419 0.260998 -1.364719
H -1.809755 -0.935393 1.398415
H -1.876338 0.791484 0.988874
H 3.298233 0.986077 0.610073
H 3.308493 -0.681579 1.227511
H -3.300672 0.292295 -1.025053
H -3.173425 -1.451719 -0.700638
H 4.564269 -1.445770 -0.828992
H 4.497867 0.204800 -1.499413
H -4.386271 -1.144708 1.493220
H -4.457105 0.616436 1.225719
H 5.909528 -0.511108 1.162823
H -5.778760 -1.454898 -0.660193
H 8.292445 -0.708691 0.941737
H -8.130201 -1.707991 -0.294785
H 9.293330 1.579696 0.716455
H 8.359278 1.845482 -0.794058
H -8.446928 1.357607 -0.080950
H -9.329265 0.289060 -1.222874
H 7.167464 1.375049 2.030682
H 7.099213 2.912063 1.089691
H -7.174875 -0.374931 -2.317407
H -7.252877 1.426988 -2.283618
H 9.258387 -0.264004 -1.970634
H 10.334099 -0.573685 -0.567116
H 9.184863 -1.835752 -1.121310
H -9.180808 0.062927 2.023144
H -10.199641 -1.003306 0.999765
H -8.953476 -1.709823 2.081011


