%chk=000089245.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000089245

0 1
O 2.690970 0.952641 -0.023058
O -2.690884 0.952896 0.018535
O 0.650458 1.707743 -0.283476
O -0.650327 1.709109 0.275357
O 1.044034 0.084347 1.349041
O -1.044002 0.078003 -1.349432
C 3.755065 0.082315 0.581013
C -3.755031 0.079766 -0.581385
C 4.857279 0.209649 -0.470000
C -4.857231 0.212157 0.469018
C 4.105418 0.660263 1.936440
C -4.105364 0.651281 -1.939543
C 4.730926 -0.841392 -1.565894
C -4.730931 -0.833673 1.569893
C 1.440268 0.805104 0.472593
C -1.440194 0.802942 -0.476420
H 3.327549 -0.940669 0.656546
H -3.327573 -0.943590 -0.652055
H 4.810789 1.228325 -0.919062
H 5.850898 0.143492 0.015788
H -4.810677 1.232953 0.913234
H -5.850856 0.143751 -0.016445
H 4.381591 1.721124 1.873255
H 3.253431 0.590664 2.631455
H 4.942617 0.125034 2.400774
H -4.381489 1.712442 -1.881400
H -3.253384 0.578339 -2.634223
H -4.942590 0.113888 -2.401323
H 3.755626 -0.778216 -2.068688
H 4.836614 -1.860039 -1.175820
H 5.499567 -0.704224 -2.336107
H -3.755623 -0.768170 2.072372
H -4.836687 -1.854156 1.184665
H -5.499556 -0.692799 2.339453


%chk=000089245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089245

0 1
O 2.730676 1.016076 0.074704
O -2.730627 1.015456 -0.078832
O 0.715445 1.863981 -0.234420
O -0.715497 1.864816 0.227009
O 0.967367 0.058276 1.319763
O -0.967090 0.052712 -1.319750
C 3.760608 0.070394 0.686174
C -3.760360 0.067056 -0.686435
C 4.881572 -0.017385 -0.356234
C -4.881929 -0.015783 0.355734
C 4.187740 0.640293 2.042229
C -4.186616 0.630732 -2.045349
C 4.434935 -0.656473 -1.686924
C -4.435888 -0.647998 1.689906
C 1.445489 0.857592 0.503674
C -1.445369 0.855293 -0.506964
H 3.252241 -0.904925 0.812257
H -3.252041 -0.908900 -0.807745
H 5.279584 1.000176 -0.533059
H 5.702729 -0.609005 0.095366
H -5.280359 1.002537 0.527200
H -5.702637 -0.609918 -0.093371
H 4.627044 1.645795 1.921452
H 3.331524 0.702141 2.734980
H 4.948075 -0.019372 2.498843
H -4.625640 1.636940 -1.929525
H -3.330018 0.689061 -2.737939
H -4.946932 -0.030816 -2.499252
H 3.621470 -0.070345 -2.147591
H 4.067151 -1.688226 -1.532393
H 5.274698 -0.700540 -2.403062
H -3.622572 -0.059508 2.147797
H -4.068123 -1.680570 1.540940
H -5.275949 -0.688264 2.405918


