%chk=000298252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298252

0 1
O -0.379558 1.242048 0.910615
O -0.221545 -1.970336 -0.729752
O 2.592829 0.204922 0.133323
O -3.218807 -0.993688 -0.011597
O 2.515092 0.021047 2.830426
O -1.019694 2.569347 -0.804061
O 0.179117 -1.364210 -2.870641
O 3.245817 -1.847582 -0.566065
O -3.716344 0.965828 1.008893
C 0.224593 0.301431 -0.015354
C -0.874955 -0.699216 -0.458477
C 1.394660 -0.345906 0.741008
C -1.908205 -1.040410 0.617892
C 1.468584 -0.000399 2.235409
C -1.015251 2.373991 0.383175
C 0.311140 -2.188481 -2.002670
C 3.486319 -0.666415 -0.466339
C -4.038393 0.087464 0.241804
C -1.609312 3.134243 1.505183
C 1.006435 -3.495581 -1.994873
C 4.662948 0.111504 -0.926569
C -5.285254 -0.064356 -0.550786
H 0.610853 0.864740 -0.906828
H -1.372682 -0.334014 -1.393406
H 1.387688 -1.466942 0.615553
H -1.873107 -0.349616 1.484436
H -1.825959 -2.096104 0.945427
H 0.492658 0.193868 2.708643
H -1.712963 4.201372 1.256388
H -2.628904 2.742723 1.721474
H -1.034393 3.045453 2.438972
H 1.091856 -3.912380 -3.009443
H 2.038818 -3.372145 -1.596341
H 0.513922 -4.238443 -1.349036
H 4.557012 1.193256 -0.731932
H 4.828540 -0.022566 -2.007928
H 5.577620 -0.225650 -0.409395
H -5.336084 -1.030765 -1.080591
H -5.361931 0.731372 -1.311642
H -6.175559 0.016794 0.093405


%chk=000298252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298252

0 1
O -0.214897 1.395591 0.877514
O -0.339368 -1.955413 -0.796601
O 2.726511 0.186083 0.569372
O -3.202744 -1.295501 0.391518
O 2.150288 -0.135995 3.250154
O -0.573988 2.571126 -1.108121
O -0.226575 -1.047088 -2.945076
O 3.156532 -1.607346 -0.860413
O -3.642781 0.991420 0.537488
C 0.305505 0.250091 0.091665
C -0.892628 -0.676022 -0.281555
C 1.422504 -0.422021 0.913882
C -1.824018 -1.027746 0.883265
C 1.231035 -0.324384 2.429866
C -0.696292 2.506425 0.129933
C 0.007341 -1.997581 -2.172321
C 3.523348 -0.527080 -0.341976
C -4.025659 -0.165801 0.248809
C -1.370268 3.492611 1.044942
C 0.699009 -3.297159 -2.490180
C 4.832207 0.183022 -0.582312
C -5.373794 -0.554962 -0.307649
H 0.730500 0.629011 -0.856102
H -1.449522 -0.172587 -1.092789
H 1.452689 -1.496622 0.626318
H -1.860252 -0.193052 1.603673
H -1.523052 -1.970170 1.365536
H 0.177417 -0.487455 2.762732
H -1.413157 4.481268 0.564992
H -2.401186 3.133930 1.222676
H -0.853364 3.554262 2.015410
H 0.690520 -3.470539 -3.576041
H 1.745713 -3.219905 -2.141822
H 0.224295 -4.138212 -1.960105
H 4.855752 1.155100 -0.070789
H 4.983599 0.319040 -1.666500
H 5.659586 -0.446631 -0.210158
H -5.667655 -1.558714 0.035594
H -5.318964 -0.576887 -1.411686
H -6.126584 0.192093 -0.014842


