%chk=000251209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251209

0 1
O -2.631456 0.672020 0.516174
O -2.146431 -1.394627 -0.266080
C 2.076311 -0.053765 -0.323640
C 2.501157 1.019044 0.699671
C 3.124265 -1.186019 -0.370950
C 3.893712 1.574426 0.370894
C 4.517857 -0.633779 -0.700014
C 4.938742 0.452240 0.299869
C 0.691606 -0.638754 0.017527
C -0.435258 0.371302 -0.220284
C -1.780013 -0.269985 -0.021942
C -4.018869 0.289965 0.765227
C -4.804966 0.375239 -0.540909
C -6.299752 0.215464 -0.291072
H 2.028811 0.420132 -1.334369
H 2.502142 0.587526 1.718522
H 1.764019 1.842267 0.716812
H 2.833589 -1.941435 -1.124086
H 3.151929 -1.715522 0.600141
H 4.190581 2.318105 1.133602
H 3.863350 2.118890 -0.592256
H 4.524906 -0.220405 -1.726792
H 5.257104 -1.456351 -0.696499
H 5.922104 0.868721 0.014011
H 5.074353 0.004108 1.302850
H 0.671592 -0.987263 1.068563
H 0.503405 -1.545828 -0.595844
H -0.387506 0.777128 -1.254643
H -0.324856 1.253990 0.447202
H -4.321871 1.049140 1.507571
H -4.038720 -0.720872 1.207866
H -4.595873 1.342420 -1.040062
H -4.445442 -0.409380 -1.240050
H -6.691673 1.001499 0.364719
H -6.861882 0.266191 -1.231770
H -6.532567 -0.751332 0.171939


%chk=000251209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251209

0 1
O -2.707171 0.685029 0.644092
O -2.125580 -1.377205 -0.282810
C 2.109621 -0.079653 -0.310566
C 2.569467 1.084166 0.607510
C 3.166681 -1.215695 -0.299132
C 3.981698 1.596789 0.235675
C 4.578788 -0.708172 -0.675064
C 5.021682 0.451923 0.247827
C 0.716519 -0.634223 0.076404
C -0.421356 0.405342 -0.037069
C -1.801500 -0.221317 0.076978
C -4.126797 0.230433 0.755452
C -4.903225 0.527537 -0.535259
C -6.394676 0.152207 -0.388336
H 2.047751 0.313004 -1.351539
H 2.574795 0.724553 1.659103
H 1.847905 1.923023 0.560404
H 2.853476 -2.022935 -0.990950
H 3.199017 -1.662881 0.717551
H 4.288703 2.401740 0.931844
H 3.949794 2.046785 -0.778779
H 4.571804 -0.353485 -1.726935
H 5.307865 -1.540259 -0.623068
H 6.014694 0.832063 -0.062042
H 5.132148 0.070866 1.284624
H 0.753502 -1.024879 1.114030
H 0.466911 -1.495835 -0.572283
H -0.368920 0.899460 -1.030194
H -0.336637 1.206161 0.716171
H -4.522368 0.805254 1.609596
H -4.136938 -0.851074 0.983252
H -4.803473 1.602433 -0.777714
H -4.450859 -0.043638 -1.366787
H -6.875672 0.722863 0.428354
H -6.946449 0.368845 -1.320168
H -6.516799 -0.924723 -0.168274


