%chk=000245310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245310

0 1
O 0.913469 2.192755 0.925867
O -3.293184 -2.068193 -1.142639
O -4.681530 -1.367278 0.452813
O 3.196223 -2.536467 -0.059551
C -1.014707 -0.140536 0.780734
C -1.596518 0.145685 -0.642263
C 0.555482 -0.145606 0.743100
C -3.151244 0.278881 -0.632575
C 1.171238 1.085973 0.032102
C -1.501918 0.945267 1.771429
C -0.977019 1.426676 -1.239948
C 0.544434 1.344011 -1.348020
C -3.621382 1.311272 0.414633
C -3.028858 1.054107 1.803549
C -1.477574 -1.515177 1.306665
C 1.111213 -1.416410 0.079570
C 2.679749 0.988795 -0.098084
C -3.710004 0.650021 -2.018856
C -3.802757 -1.075729 -0.323570
C 2.619397 -1.469221 -0.030205
C 3.352184 -0.166002 -0.129093
C 4.860547 -0.259127 -0.250855
C 5.335119 0.361041 -1.570536
C 5.538665 0.400176 0.955614
H -1.336039 -0.717775 -1.304030
H 0.908693 -0.113133 1.806619
H -1.056290 1.926398 1.498909
H -1.120303 0.728754 2.786342
H -1.252858 2.298234 -0.609494
H -1.399515 1.622623 -2.244674
H 0.840472 0.534999 -2.045210
H 0.944694 2.274749 -1.790767
H -4.728339 1.303109 0.479641
H -3.341596 2.325502 0.069920
H -3.330788 1.866013 2.492253
H -3.468687 0.123988 2.224797
H -0.837745 -1.871425 2.121973
H -2.490444 -1.470667 1.732369
H -1.484225 -2.281823 0.524602
H 0.681990 -1.541998 -0.938096
H 0.778184 -2.321292 0.634744
H 3.194517 1.949109 -0.147468
H -4.806666 0.680817 -2.020381
H -3.364596 1.637968 -2.344839
H -3.399152 -0.077183 -2.781605
H 1.126426 3.045962 0.504913
H 5.146031 -1.349123 -0.256942
H -3.728936 -2.946634 -0.988658
H 5.131883 1.435298 -1.618117
H 4.843574 -0.110484 -2.428931
H 6.415522 0.226975 -1.698282
H 5.190175 -0.043707 1.895784
H 5.338281 1.475172 1.005900
H 6.625811 0.269659 0.914746


%chk=000245310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245310

0 1
O 0.945462 2.371614 0.561381
O -3.448360 -2.171133 -1.004622
O -4.844493 -1.274517 0.603842
O 3.316049 -2.522973 0.212721
C -1.011503 -0.069787 0.758241
C -1.672332 0.105354 -0.665541
C 0.573469 -0.045020 0.647464
C -3.249883 0.229384 -0.599163
C 1.167280 1.109150 -0.209559
C -1.496055 1.071335 1.714575
C -1.069268 1.320685 -1.424372
C 0.457715 1.211304 -1.582519
C -3.681826 1.334842 0.405660
C -3.036571 1.186138 1.800523
C -1.406254 -1.428761 1.413139
C 1.166084 -1.384629 0.123334
C 2.669551 0.979398 -0.399375
C -3.863413 0.547309 -2.005438
C -3.918000 -1.100207 -0.220167
C 2.692321 -1.427637 0.064059
C 3.414355 -0.154517 -0.234371
C 4.935799 -0.220239 -0.346138
C 5.559603 0.956034 -1.127476
C 5.559432 -0.331636 1.075688
H -1.448595 -0.802168 -1.264069
H 0.957298 0.110661 1.677767
H -1.066112 2.033138 1.388528
H -1.081653 0.877389 2.724711
H -1.310169 2.263129 -0.898772
H -1.511120 1.387131 -2.434221
H 0.711615 0.319803 -2.188643
H 0.853043 2.088125 -2.135517
H -4.783768 1.328977 0.497235
H -3.396166 2.314155 -0.026338
H -3.297932 2.069880 2.414699
H -3.478997 0.313609 2.315504
H -0.756242 -1.626294 2.287005
H -2.441833 -1.420094 1.788167
H -1.314329 -2.277023 0.713544
H 0.787529 -1.600502 -0.897885
H 0.858075 -2.233744 0.751984
H 3.172062 1.914429 -0.692429
H -4.963616 0.441011 -1.975147
H -3.643832 1.588675 -2.295683
H -3.471229 -0.134629 -2.779637
H 1.337233 3.123832 0.044708
H 5.172908 -1.166424 -0.872260
H -3.957146 -2.990569 -0.757539
H 5.434453 1.915809 -0.590044
H 5.115203 1.061716 -2.134750
H 6.645229 0.790735 -1.250247
H 5.162707 -1.211291 1.609455
H 5.339974 0.574612 1.670852
H 6.657348 -0.440571 1.003038


