%chk=000221269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221269

0 1
O 0.101729 1.039824 -2.269251
O -1.497912 0.090044 -3.504198
O 1.344605 4.363065 1.133788
O 0.281854 2.747265 2.253689
C -2.337263 -0.047929 -0.380301
C -1.138719 -0.651810 -1.163106
C -1.383663 -2.127941 -1.513169
C -1.583426 -2.975714 -0.237319
C -1.939095 1.306658 0.239186
C -2.835234 -1.001992 0.674037
C -2.523260 -2.298490 0.729365
C -3.158058 2.137844 0.657803
C -0.935433 0.132192 -2.438736
C -0.261279 -3.223025 0.448214
C -2.725897 3.474091 1.278947
C 0.545247 -4.248811 0.162113
C 1.871841 -4.443513 0.837967
C 3.048569 -4.032603 -0.064891
C 2.916439 -2.619148 -0.648374
C 2.901628 -1.520586 0.423817
C -3.922096 4.271724 1.791754
C 2.397413 -0.193939 -0.157107
C 2.201067 0.867447 0.931047
C 1.697863 2.181807 0.320396
C 1.027182 3.037155 1.346405
H -3.182820 0.112137 -1.103080
H -0.202624 -0.575126 -0.533656
H -2.281093 -2.216742 -2.159256
H -0.538371 -2.530078 -2.103364
H -2.037841 -3.953179 -0.546975
H -1.278219 1.144847 1.118065
H -1.330664 1.885784 -0.484155
H -3.508149 -0.548750 1.404773
H -2.920228 -2.950048 1.506800
H -3.772182 1.571168 1.384839
H -3.814807 2.322256 -0.213532
H 0.005460 -2.477651 1.199375
H -2.168311 4.072785 0.533579
H -2.011564 3.286413 2.110203
H 0.298258 -4.993903 -0.592597
H 1.988197 -5.506670 1.132161
H 1.918529 -3.869593 1.786807
H 3.989600 -4.114386 0.512889
H 3.140286 -4.755650 -0.899413
H 1.988148 -2.563751 -1.253141
H 3.747382 -2.436821 -1.356763
H 3.913120 -1.394641 0.852537
H 2.254267 -1.829048 1.269141
H -3.604336 5.226780 2.224457
H -4.465685 3.725749 2.571421
H -4.634516 4.494453 0.989620
H 0.272621 1.581310 -3.083983
H 1.426147 -0.358779 -0.683241
H 3.098633 0.172552 -0.930309
H 3.147359 1.041957 1.478353
H 1.475709 0.501722 1.689406
H 2.527199 2.732755 -0.173113
H 0.961852 1.971688 -0.499280
H 0.905945 4.974644 1.781857


%chk=000221269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221269

0 1
O 0.325036 1.236405 -1.901772
O -1.788978 1.473164 -2.820783
O 3.498344 4.525095 -0.120496
O 3.822928 3.456287 1.914055
C -2.895869 0.100395 -0.454712
C -1.445942 -0.133059 -0.961615
C -1.301740 -1.534544 -1.634046
C -1.593823 -2.683765 -0.625163
C -2.966592 1.348734 0.475438
C -3.430303 -1.147021 0.231299
C -2.858225 -2.378002 0.167465
C -4.400651 1.829574 0.791130
C -1.049956 0.927481 -1.971565
C -0.423111 -2.954259 0.314103
C -4.424020 3.106855 1.662364
C 0.359530 -4.065181 0.285615
C 1.548552 -4.315381 1.190528
C 2.907504 -4.310471 0.424166
C 3.206960 -2.991311 -0.329493
C 3.330626 -1.746474 0.578626
C -5.855297 3.587769 1.983975
C 3.464565 -0.433649 -0.224665
C 3.555834 0.818748 0.674876
C 3.492618 2.117013 -0.151195
C 3.625657 3.374347 0.682287
H -3.527117 0.321446 -1.343355
H -0.738085 -0.076339 -0.113085
H -2.023827 -1.596201 -2.471496
H -0.284647 -1.654635 -2.050098
H -1.762297 -3.607530 -1.216922
H -2.429745 1.128028 1.421487
H -2.422285 2.182981 -0.013584
H -4.347504 -1.019768 0.822241
H -3.297666 -3.213663 0.728312
H -4.968740 1.032710 1.312478
H -4.937074 2.025956 -0.160321
H -0.218811 -2.176649 1.067265
H -3.870226 3.913354 1.139958
H -3.875343 2.913967 2.606791
H 0.149163 -4.843957 -0.466936
H 1.437235 -5.300768 1.687705
H 1.569727 -3.556480 1.995193
H 3.719816 -4.519741 1.149944
H 2.910586 -5.148614 -0.302402
H 2.401570 -2.811475 -1.070422
H 4.145240 -3.112519 -0.908848
H 4.199028 -1.864909 1.259914
H 2.434524 -1.667009 1.225868
H -5.845579 4.505407 2.600412
H -6.418865 2.814002 2.539031
H -6.416157 3.809542 1.056328
H 0.538688 1.892558 -2.621420
H 2.585748 -0.336162 -0.895844
H 4.358548 -0.488097 -0.881259
H 4.487698 0.798028 1.271490
H 2.723445 0.813582 1.404960
H 4.289971 2.138364 -0.920944
H 2.535122 2.171389 -0.705137
H 3.595622 5.332251 0.454775


