%chk=000271149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271149

0 1
O -4.375562 -0.748485 -0.646845
O -2.849939 0.946284 0.772277
O -0.956033 1.576921 -1.240016
O -2.663787 -3.599474 0.983455
O 1.897017 -0.291878 0.431190
O -0.247533 3.668240 -1.579520
O 3.562686 0.981993 1.261650
C -2.954766 -0.689160 -1.048009
C -2.126751 -0.095038 0.117343
C -3.580515 -1.977221 -0.560436
C -1.969073 -1.260667 1.171513
C -3.131007 -2.255237 0.879289
C -0.762586 0.492878 -0.281227
C -2.680588 -0.337497 -2.462208
C -0.017019 1.106651 0.935386
C -0.573886 -1.838952 1.147933
C 1.014360 0.136435 1.522269
C 0.408323 -1.160959 2.075645
C 0.521538 2.408542 0.404394
C -0.211817 2.704949 -0.866407
C -0.198142 -2.843967 0.355271
C 1.465370 3.192611 0.914027
C 3.175182 0.228028 0.392039
C 3.918397 -0.274585 -0.791237
C 3.139088 -1.055640 -1.793063
C 5.227640 0.026844 -0.878160
C 6.123717 -0.376885 -1.990793
H -3.902049 -2.797224 -1.190673
H -2.158545 -0.812684 2.181144
H -3.969838 -2.094963 1.592041
H -0.139433 -0.255235 -0.827487
H -3.551524 -0.530865 -3.106069
H -2.438543 0.739932 -2.570839
H -1.827225 -0.897782 -2.867473
H -0.765426 1.352785 1.742837
H 1.634431 0.645342 2.301382
H -0.068372 -0.951320 3.055626
H 1.243610 -1.860717 2.306058
H -3.822401 0.879560 0.568480
H -3.409418 -4.201928 1.189590
H -0.879021 -3.364810 -0.307424
H 0.806069 -3.240043 0.331645
H 2.024790 2.950887 1.813340
H 1.765754 4.128769 0.452096
H 3.784587 -1.666054 -2.439111
H 2.418662 -1.733377 -1.306236
H 2.556681 -0.384754 -2.443218
H 5.709489 0.622681 -0.090353
H 6.338985 0.483377 -2.645767
H 5.695808 -1.164928 -2.628812
H 7.089818 -0.746877 -1.616840


%chk=000271149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271149

0 1
O -4.474840 -0.759942 -0.704435
O -3.018018 0.984802 0.717475
O -1.090875 1.678717 -1.214974
O -2.976831 -3.526424 1.430833
O 1.897185 -0.156481 0.231651
O -0.270063 3.833320 -1.522711
O 3.781435 0.432776 1.483580
C -2.971526 -0.788533 -1.038038
C -2.204103 -0.081898 0.130431
C -3.625448 -1.999902 -0.454517
C -1.989121 -1.229062 1.216056
C -3.243687 -2.146095 1.028676
C -0.864032 0.542037 -0.278589
C -2.630921 -0.598373 -2.492993
C -0.058110 1.112522 0.927175
C -0.610860 -1.894983 1.121771
C 1.024426 0.130929 1.410069
C 0.478647 -1.215549 1.953876
C 0.453669 2.445652 0.407473
C -0.295080 2.791195 -0.845592
C -0.331453 -2.987633 0.365201
C 1.416680 3.256034 0.908358
C 3.283211 0.043339 0.395990
C 4.019851 -0.270825 -0.867007
C 3.215990 -0.691969 -2.079796
C 5.382032 -0.138105 -0.810848
C 6.379206 -0.375547 -1.911516
H -3.910155 -2.878890 -1.044407
H -2.055215 -0.732622 2.201815
H -4.075440 -1.723833 1.631346
H -0.250514 -0.194237 -0.823526
H -3.356230 -1.141707 -3.122099
H -2.642697 0.470410 -2.760405
H -1.619264 -0.987269 -2.711081
H -0.759735 1.302865 1.763592
H 1.660721 0.598806 2.184284
H 0.084206 -1.017307 2.971780
H 1.343043 -1.893088 2.071758
H -3.963518 0.782585 0.470638
H -3.838267 -3.975499 1.623591
H -1.102481 -3.527358 -0.191138
H 0.683338 -3.401930 0.333460
H 1.992404 3.004606 1.805618
H 1.649118 4.198031 0.398572
H 3.864664 -0.914087 -2.942097
H 2.608744 -1.588469 -1.859685
H 2.507878 0.103185 -2.376186
H 5.797180 0.184009 0.155972
H 6.952289 0.550781 -2.114138
H 5.921800 -0.708870 -2.856783
H 7.121966 -1.135610 -1.598785


