%chk=000231690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231690

0 1
O 2.734317 -0.063046 0.558215
O -2.133510 -1.003235 -2.158001
O -3.836892 0.430589 -2.042143
C -0.016031 0.029859 -0.529192
C 0.761671 -1.247539 -0.325614
C 0.837833 1.254276 -0.306517
C -1.207260 0.049377 0.416963
C 2.059928 -1.232863 0.204333
C 2.135599 1.148746 0.216706
C -2.535533 -0.010150 -0.036169
C 0.205159 -2.491128 -0.658082
C 0.360060 2.537439 -0.610207
C -0.967177 0.143139 1.800661
C 2.802201 -2.401847 0.427104
C 2.953149 2.264885 0.450482
C 0.925181 -3.668567 -0.446926
C 1.156056 3.662883 -0.387444
C -3.601833 0.046864 0.885559
C 2.216248 -3.623298 0.097656
C 2.446388 3.526313 0.143476
C -2.023019 0.182896 2.707612
C -3.348011 0.138786 2.250043
C -2.929736 -0.114567 -1.456767
H -0.366503 0.043988 -1.601923
H -0.802509 -2.525811 -1.084437
H -0.644947 2.654771 -1.017592
H 0.063785 0.183739 2.159288
H 3.804946 -2.337536 0.843019
H 3.952376 2.128958 0.858395
H 0.481443 -4.627778 -0.705814
H 0.772112 4.652895 -0.626322
H -4.630661 0.022033 0.516553
H 2.768944 -4.548139 0.261975
H 3.059285 4.411101 0.315535
H -1.820367 0.251437 3.777233
H -4.172784 0.178468 2.959915
H -2.418909 -1.093938 -3.108073


%chk=000231690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231690

0 1
O 2.693660 -0.069409 0.726928
O -2.178750 -0.694509 -2.346604
O -4.238925 0.197607 -1.813695
C 0.005508 -0.010503 -0.554937
C 0.817066 -1.292867 -0.345600
C 0.870144 1.233420 -0.337656
C -1.218234 0.014542 0.393091
C 2.077980 -1.271263 0.295990
C 2.132721 1.157003 0.296465
C -2.585166 -0.004214 -0.028647
C 0.311513 -2.549820 -0.759408
C 0.417122 2.512530 -0.743243
C -0.956607 0.108674 1.785675
C 2.809847 -2.451596 0.546588
C 2.916631 2.304828 0.542679
C 1.027845 -3.741841 -0.523636
C 1.184072 3.673298 -0.512002
C -3.627359 0.099494 0.941497
C 2.278858 -3.691524 0.139401
C 2.437421 3.567056 0.140193
C -1.990358 0.182841 2.737415
C -3.340608 0.186279 2.312871
C -3.086765 -0.122910 -1.430966
H -0.365313 -0.006692 -1.590766
H -0.659315 -2.578700 -1.266609
H -0.560170 2.593981 -1.234745
H 0.085045 0.131433 2.124203
H 3.780038 -2.375745 1.046762
H 3.885736 2.186501 1.036683
H 0.615689 -4.702592 -0.849563
H 0.810135 4.651320 -0.832068
H -4.661574 0.106586 0.582969
H 2.840963 -4.611815 0.331336
H 3.040316 4.461926 0.328214
H -1.746915 0.246784 3.803719
H -4.154332 0.254867 3.042135
H -2.626918 -0.740971 -3.235171


