%chk=000244982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244982

0 1
O -0.779868 -0.927099 0.437123
O -7.013340 0.093211 -0.134017
O 3.193752 1.082439 1.830309
O 1.344893 -1.562106 0.823557
O 7.168442 -0.917083 0.178770
C -1.416148 0.145610 -0.230429
C 0.841333 0.511790 -0.481766
C -2.864795 0.099702 -0.185287
C -0.509069 0.999476 -0.772685
C 2.004935 1.046332 -0.882331
C 3.336383 0.537072 -0.551404
C 0.646636 -0.742491 0.312167
C -3.627775 1.119049 -0.797781
C -3.518789 -0.961599 0.467997
C 3.862901 0.561505 0.759210
C 4.149437 0.018399 -1.580227
C -5.012810 1.080884 -0.758603
C -4.910624 -1.019295 0.519137
C -5.646102 0.004555 -0.095926
C 5.151338 0.091358 1.058359
C 5.424644 -0.464321 -1.323712
C 5.905647 -0.424259 0.002028
C -7.784751 -0.952533 0.509507
H -0.700971 1.892020 -1.335726
H 2.002221 1.935260 -1.527785
H -3.123135 1.942798 -1.305734
H -2.919808 -1.748552 0.939766
H 3.758697 -0.008695 -2.600169
H -5.621709 1.854162 -1.222895
H -5.399484 -1.844512 1.026885
H 5.512179 0.129031 2.080922
H 6.053874 -0.875234 -2.109149
H 2.263827 1.352120 1.610813
H -7.573516 -0.974326 1.582459
H -7.589261 -1.917010 0.032107
H -8.813694 -0.619489 0.317389
H 7.456509 -0.886968 1.127518


%chk=000244982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244982

0 1
O -0.987992 -0.858484 1.004737
O -7.204467 0.218841 -0.479005
O 3.433376 -0.484157 1.946598
O 1.123225 -1.442065 1.748847
O 7.683626 0.173513 -0.176861
C -1.533158 -0.049684 -0.060938
C 0.774068 0.090592 -0.206147
C -2.983895 -0.000172 -0.143704
C -0.500578 0.508629 -0.782303
C 2.019161 0.428554 -0.755064
C 3.423645 0.258786 -0.452600
C 0.419778 -0.780172 0.927656
C -3.631874 0.765311 -1.160036
C -3.790861 -0.712115 0.784836
C 4.067667 -0.166154 0.785030
C 4.309475 0.645113 -1.529403
C -5.028664 0.815304 -1.241363
C -5.197351 -0.668715 0.711495
C -5.821627 0.097939 -0.304859
C 5.485556 -0.186852 0.866615
C 5.697796 0.608800 -1.447624
C 6.288516 0.186367 -0.223536
C -8.075319 -0.496886 0.459504
H -0.606315 1.165339 -1.644444
H 1.889284 0.976886 -1.701469
H -3.035023 1.323902 -1.889209
H -3.303354 -1.302022 1.566531
H 3.850807 0.980461 -2.467455
H -5.534557 1.399146 -2.015923
H -5.788440 -1.228892 1.441658
H 5.918677 -0.504787 1.821782
H 6.338506 0.900787 -2.282876
H 2.469868 -0.886153 1.872232
H -7.918664 -0.146461 1.497815
H -7.909749 -1.590071 0.405385
H -9.099314 -0.259302 0.137165
H 8.010170 -0.129923 0.707332


