%chk=000241079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241079

0 1
O -5.739107 0.307588 0.714012
O -2.949132 2.042958 -0.282107
O 0.160332 2.175966 -2.002030
O 4.759192 -0.218673 1.829149
O 5.014733 -2.477686 0.741655
O 1.441391 2.909018 -0.286198
C -7.544997 -1.174891 0.673034
C -7.124671 0.243701 0.288696
C -9.007058 -1.442328 0.299738
C -5.116153 1.588750 0.463753
C -3.640590 1.331620 0.775613
C 3.091663 0.528636 -1.415046
C -9.431206 -2.858317 0.681865
C 2.435410 1.661112 -2.158147
C -1.519745 1.821543 -0.281691
C -1.031409 2.750252 -1.394817
C 3.595647 0.757316 -0.113514
C 3.221566 -0.719545 -2.011506
C 4.223079 -0.274290 0.565592
C 1.359529 2.317600 -1.336027
C 4.364465 -1.563038 -0.055012
C 3.864365 -1.773863 -1.331049
C 4.633096 1.037540 2.543087
C 5.192796 -3.810286 0.202323
H -7.382693 -1.326302 1.759048
H -6.873419 -1.904795 0.177772
H -7.174649 0.420857 -0.799104
H -7.702307 1.016529 0.822918
H -9.153706 -1.290379 -0.788035
H -9.666694 -0.707471 0.802278
H -5.570689 2.343361 1.125689
H -5.249365 1.883575 -0.594872
H -3.325700 1.741409 1.748493
H -3.408382 0.250478 0.723472
H -8.821396 -3.613893 0.172778
H -10.477004 -3.045052 0.413108
H -9.332898 -3.032601 1.759737
H 2.014631 1.314585 -3.130727
H 3.202014 2.428098 -2.420278
H -1.311094 0.761290 -0.514545
H -1.094858 2.082426 0.703119
H -1.738718 2.778751 -2.246828
H -0.809142 3.769085 -1.036136
H 3.465559 1.740946 0.340220
H 2.830098 -0.904775 -3.009574
H 3.955614 -2.739615 -1.819783
H 5.109103 0.792090 3.501292
H 3.578918 1.295699 2.681503
H 5.180716 1.827612 2.021861
H 5.719750 -4.309639 1.026516
H 5.813729 -3.779121 -0.697063
H 4.223385 -4.280530 0.016168


%chk=000241079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241079

0 1
O -5.789535 -0.236114 0.165782
O -2.852438 1.605589 -1.036966
O 0.571561 2.283874 -2.294302
O 4.453149 -0.312574 2.258159
O 5.089132 -2.459171 0.842936
O 1.310486 2.998258 -0.196884
C -7.903983 -1.213035 0.847998
C -7.192517 0.085916 0.460200
C -9.393783 -0.987844 1.196656
C -5.028407 0.935942 -0.274274
C -3.595466 0.457649 -0.501219
C 3.496798 0.920347 -1.175411
C -10.118800 -2.299302 1.567890
C 2.937693 2.166371 -1.865112
C -1.436342 1.301287 -1.250334
C -0.837538 2.557140 -1.892183
C 3.699746 0.914726 0.230829
C 3.824890 -0.228174 -1.920849
C 4.226315 -0.219105 0.881282
C 1.558657 2.536724 -1.334810
C 4.566501 -1.383328 0.115639
C 4.359250 -1.373406 -1.279616
C 4.102192 0.854156 3.072386
C 5.445476 -3.661373 0.088065
H -7.377767 -1.664029 1.711593
H -7.816092 -1.930956 0.009611
H -7.671082 0.543962 -0.435895
H -7.242820 0.827429 1.290277
H -9.907432 -0.513712 0.335181
H -9.472071 -0.271378 2.039844
H -5.050652 1.737211 0.495336
H -5.445214 1.346859 -1.219197
H -3.147871 0.109527 0.453350
H -3.586019 -0.385826 -1.223600
H -10.084905 -3.020864 0.730163
H -11.180539 -2.117408 1.815858
H -9.643826 -2.780340 2.443512
H 2.876942 2.007845 -2.952886
H 3.599880 3.032125 -1.673374
H -1.318663 0.429762 -1.929972
H -0.932344 1.075433 -0.287131
H -1.358836 2.802854 -2.829458
H -0.868074 3.408064 -1.191431
H 3.419874 1.802920 0.805301
H 3.668193 -0.241031 -3.005162
H 4.608996 -2.253408 -1.879467
H 4.345833 0.562871 4.104467
H 3.023774 1.092589 2.992971
H 4.697821 1.742014 2.782948
H 5.830479 -4.365056 0.840445
H 6.232023 -3.449209 -0.662874
H 4.561352 -4.099496 -0.415870


