%chk=000229132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229132

0 1
O -0.434825 -0.698046 0.002925
O -1.465426 -2.703662 0.002687
O -6.370978 1.393192 0.018539
C 4.333070 0.332596 -0.004688
C 5.767884 -0.211851 -0.008628
C 3.303353 -0.805216 -0.004642
C 6.798130 0.925296 -0.008925
C 1.871886 -0.257464 -0.000404
C 8.234227 0.382522 -0.013022
C 0.857406 -1.395243 -0.000813
C 9.264148 1.509994 -0.013369
C -1.562263 -1.494777 0.004401
C -2.784734 -0.674245 0.008103
C -4.031472 -1.338247 0.009993
C -2.732867 0.727612 0.009753
C -5.210398 -0.610727 0.013485
C -3.907427 1.480302 0.013267
C -5.135698 0.801716 0.015097
C -6.438624 2.841754 0.020536
H 4.179161 0.980648 0.879903
H 4.175522 0.983851 -0.886279
H 5.922797 -0.859770 -0.893003
H 5.926535 -0.862693 0.872938
H 3.462827 -1.455817 0.877752
H 3.458942 -1.452356 -0.890268
H 6.641797 1.577131 -0.889857
H 6.645677 1.574075 0.874941
H 1.700237 0.395568 -0.879840
H 1.703967 0.391628 0.882656
H 8.389332 -0.265212 -0.898053
H 8.393229 -0.268224 0.869106
H 0.901514 -2.030493 0.899801
H 0.898143 -2.026844 -0.904143
H 9.159316 2.152489 -0.894985
H 10.285504 1.113122 -0.016614
H 9.163600 2.149107 0.871198
H -4.051891 -2.433377 0.008663
H -1.759517 1.228833 0.008256
H -6.184749 -1.095283 0.015007
H -3.856740 2.563546 0.014518
H -7.523622 3.013255 0.023165
H -5.980200 3.244157 -0.887284
H -5.976171 3.241852 0.927330


%chk=000229132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229132

0 1
O -0.473425 -0.529630 -0.010409
O -1.481009 -2.630187 0.107757
O -6.643297 1.274288 0.039144
C 4.451103 0.369248 0.032005
C 5.880108 -0.209418 -0.073621
C 3.348995 -0.709650 -0.060363
C 6.985053 0.864429 0.043095
C 1.922072 -0.116484 0.009241
C 8.414240 0.287185 -0.075865
C 0.853604 -1.208789 -0.029457
C 9.512614 1.365339 0.046885
C -1.588583 -1.377317 0.054895
C -2.869122 -0.624907 0.051992
C -4.084213 -1.361313 0.133617
C -2.921481 0.788614 -0.034287
C -5.320213 -0.701164 0.128708
C -4.158145 1.464752 -0.042019
C -5.361733 0.716086 0.039295
C -6.756117 2.733442 -0.059140
H 4.346890 0.917256 0.991625
H 4.299387 1.119166 -0.772312
H 5.988828 -0.742908 -1.041194
H 6.026349 -0.972609 0.719430
H 3.487895 -1.443783 0.760630
H 3.469331 -1.275261 -1.007724
H 6.835798 1.633529 -0.743776
H 6.884023 1.391608 1.015008
H 1.763419 0.578839 -0.837715
H 1.804251 0.474071 0.938392
H 8.515362 -0.236496 -1.048495
H 8.561609 -0.483649 0.708111
H 0.915850 -1.888176 0.840944
H 0.917802 -1.823511 -0.947250
H 9.406846 2.130882 -0.745097
H 10.523669 0.926573 -0.040543
H 9.451986 1.883239 1.022801
H -4.030343 -2.452816 0.198963
H -1.985960 1.351491 -0.096399
H -6.264426 -1.249860 0.191048
H -4.175092 2.556274 -0.110627
H -7.836354 2.937826 -0.043113
H -6.318765 3.106303 -1.005195
H -6.268202 3.232184 0.800217


