%chk=000287557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287557

0 1
O -0.016683 1.020810 -0.876237
O -1.879240 2.377918 -0.536059
O 3.883034 0.437444 -0.164408
O -2.944736 -1.443061 0.035617
O 2.457656 -1.277657 0.235774
O -2.033944 -0.380023 1.812207
C 0.331929 0.716598 0.491335
C -2.842360 1.394669 -0.989203
C 1.807004 1.035052 0.728465
C -3.499592 0.827410 0.270752
C -0.580083 2.300614 -1.118869
C 2.685399 -0.090924 0.258112
C -2.731943 -0.341377 0.824793
C 4.918534 -0.483688 -0.632707
C -2.203010 -2.670229 0.348242
C 5.589934 -1.149878 0.550025
C -0.841587 -2.612488 -0.306055
H -0.336983 1.247838 1.192859
H 0.125617 -0.383972 0.550496
H -3.567742 1.961464 -1.600083
H -2.353256 0.609753 -1.595489
H 1.999430 1.210654 1.809715
H 2.091398 1.981709 0.218272
H -4.546919 0.528335 0.055463
H -3.547348 1.626857 1.048538
H -0.041825 3.123640 -0.622769
H -0.613076 2.353926 -2.219630
H 5.582564 0.211001 -1.178548
H 4.454031 -1.210107 -1.323113
H -2.868411 -3.433851 -0.093468
H -2.148080 -2.782087 1.446040
H 6.463828 -1.734013 0.238954
H 5.925171 -0.413952 1.291740
H 4.899524 -1.837180 1.062473
H -0.300356 -3.560788 -0.203380
H -0.910317 -2.379186 -1.376329
H -0.195564 -1.830828 0.144573


%chk=000287557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287557

0 1
O -0.061231 0.481320 -0.214018
O -1.608265 2.283527 -0.741935
O 3.691548 0.429224 -0.203401
O -2.903419 -1.314986 -0.247329
O 2.641688 -1.111968 1.202218
O -2.371379 -0.492326 1.878529
C 0.384706 0.875178 1.143344
C -2.859851 1.556637 -1.037738
C 1.881994 1.238016 1.156517
C -3.508475 0.951693 0.226980
C -0.381100 1.592821 -1.090975
C 2.744863 0.052496 0.753850
C -2.853283 -0.323961 0.734839
C 4.624568 -0.642909 -0.674608
C -2.237787 -2.623653 0.050958
C 5.830463 -0.765571 0.261040
C -1.006725 -2.778288 -0.843758
H -0.229442 1.718645 1.510206
H 0.187280 -0.007066 1.770293
H -3.539028 2.318720 -1.459363
H -2.682717 0.765346 -1.792006
H 2.155729 1.524199 2.191633
H 2.107845 2.097319 0.503444
H -4.563394 0.716920 -0.016169
H -3.497743 1.694787 1.040768
H 0.392825 2.382259 -1.054439
H -0.446447 1.136583 -2.096997
H 4.914295 -0.307140 -1.683153
H 4.063471 -1.592197 -0.733378
H -3.007996 -3.385311 -0.159701
H -1.974601 -2.639796 1.122767
H 6.548492 -1.499526 -0.149960
H 6.349342 0.203061 0.365142
H 5.517007 -1.114046 1.259321
H -0.517300 -3.748365 -0.636062
H -1.287709 -2.754103 -1.911542
H -0.286225 -1.967134 -0.647220


