Problems with negative frequencies


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Forum Vet
Sophia
If you look at the frequencies output, you will find the section " Negative Nuclear Hessian Mode 1 "
If you use as new geometry the one as listed under
" Geometry after -100.0% step for mode 1;"
C     -0.09310508     1.34795637     0.00258095
C 0.00214260 -0.18798365 0.00404920
H 0.67531313 1.77100773 0.72045709
H -1.12474372 1.70215805 0.27599438
H 0.16807654 1.71637592 -1.03984743
O 1.16957720 -0.66899511 0.02412262
O -1.06729404 -0.85799128 -0.02636247

Then, if you re-run the calculation with this new geometry, all frequencies will be positive