%chk=000225730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225730

0 1
O -4.244449 -0.297956 1.422151
O 6.421789 -0.489596 -0.832053
C -1.921582 -0.156860 0.785489
C -1.178868 0.890523 -0.104191
C 0.291966 1.017911 0.315138
C -3.405825 0.050822 0.304606
C 0.973355 -0.361345 0.088632
C -1.279218 -1.529989 0.523608
C -2.075786 2.139156 -0.042625
C 0.225938 -1.483794 0.843250
C -3.513638 1.584006 0.045391
C 2.465074 -0.316616 0.515836
C 1.025292 2.089805 -0.505224
C -1.862904 0.160908 2.287596
C -3.813101 -0.801348 -0.909911
C 2.485502 2.200936 -0.059791
C 3.202987 0.879279 -0.052366
C 3.161198 -1.636331 0.113972
C -5.250528 -0.532335 -1.376292
C 4.668445 -1.590341 0.352629
C 4.486086 0.809665 -0.449415
C 5.300336 -0.417024 -0.374095
C -5.693258 -1.521965 -2.449518
H -1.195716 0.523415 -1.162746
H 0.350683 1.288223 1.395738
H 0.933057 -0.589380 -1.005000
H -1.423875 -1.842261 -0.526342
H -1.771163 -2.303054 1.143663
H -1.942779 2.781442 -0.926594
H -1.838234 2.762033 0.836298
H 0.363657 -1.355042 1.935347
H 0.675041 -2.464432 0.595144
H -4.068347 2.054084 0.876178
H -4.080035 1.803738 -0.872511
H 2.512928 -0.213184 1.632110
H 0.524523 3.069693 -0.389309
H 0.976373 1.851800 -1.585450
H -0.848528 0.085917 2.687985
H -2.241404 1.165192 2.505443
H -2.503784 -0.537026 2.846601
H -3.709350 -1.873147 -0.644688
H -3.109190 -0.623287 -1.744782
H 2.537562 2.629167 0.965950
H 3.012791 2.934014 -0.705827
H 2.964786 -1.850235 -0.956567
H 2.720785 -2.480876 0.678980
H -5.176363 -0.399097 1.139122
H -5.333102 0.503508 -1.764486
H -5.939923 -0.587442 -0.506942
H 5.147515 -2.535588 0.026619
H 4.900713 -1.503242 1.433307
H 5.018141 1.670795 -0.856045
H -5.043792 -1.479170 -3.331711
H -5.676209 -2.554768 -2.082018
H -6.715270 -1.311902 -2.785783


%chk=000225730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225730

0 1
O -4.360045 -0.462131 1.464878
O 6.371146 -0.639745 -1.211080
C -1.972875 -0.141574 0.901317
C -1.228870 0.897353 0.004435
C 0.269503 1.029058 0.344713
C -3.458963 0.035486 0.396457
C 0.952306 -0.365213 0.182522
C -1.312921 -1.525531 0.689595
C -2.126288 2.160607 0.064226
C 0.212178 -1.475975 0.980683
C -3.580072 1.596702 0.215177
C 2.479080 -0.318966 0.544314
C 0.982639 2.070812 -0.543932
C -1.926685 0.234510 2.409827
C -3.771860 -0.749325 -0.909122
C 2.481535 2.176453 -0.174923
C 3.186919 0.832967 -0.171559
C 3.167057 -1.680035 0.256123
C -5.204906 -0.583723 -1.472603
C 4.707046 -1.604864 0.310742
C 4.422529 0.690152 -0.751883
C 5.250035 -0.526106 -0.625851
C -5.417182 -1.418314 -2.755671
H -1.269985 0.512626 -1.039921
H 0.374809 1.358094 1.401798
H 0.883620 -0.625677 -0.899293
H -1.449054 -1.852416 -0.360236
H -1.793256 -2.288325 1.332889
H -2.016792 2.788735 -0.837666
H -1.854250 2.789155 0.933578
H 0.389626 -1.324579 2.064313
H 0.643783 -2.463121 0.730981
H -4.075237 2.014099 1.110408
H -4.204043 1.860945 -0.656929
H 2.541510 -0.112625 1.639694
H 0.507476 3.063663 -0.430121
H 0.878230 1.780019 -1.609714
H -0.895286 0.245099 2.801388
H -2.369415 1.226451 2.604647
H -2.512673 -0.498616 2.987347
H -3.609694 -1.826275 -0.710516
H -3.052878 -0.452816 -1.698682
H 2.548798 2.602030 0.850775
H 3.008299 2.880634 -0.844722
H 2.858157 -2.022249 -0.753002
H 2.814133 -2.440271 0.975634
H -5.291527 -0.411262 1.132474
H -5.417686 0.480802 -1.691547
H -5.954576 -0.908511 -0.719481
H 5.174646 -2.570788 0.051009
H 5.037154 -1.351520 1.340379
H 4.880846 1.524119 -1.299806
H -4.713464 -1.106937 -3.550440
H -5.248371 -2.494001 -2.561412
H -6.443901 -1.301682 -3.147713


