| 6:56:39 AM PDT - Sat, Aug 17th 2019 |
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Hi.
I have a negative frequency that y cant solve.
My input is
start
memory total 32000 Mb
charge 0
geometry noautosym noautoz
C -0.03086481 0.37334317 -0.00331307
C 1.19453718 -0.30977697 -0.09613883
C 1.21343328 -1.71106251 -0.09338888
C 0.00438925 -2.42652823 0.00282934
C -1.22015303 -1.74278929 0.09600490
C -1.23742657 -0.34114812 0.09320969
O -0.04904388 -3.80046450 0.01075484
C -0.01451322 1.87195830 -0.00175138
H 2.13163827 0.24824619 -0.17137739
H 2.16626207 -2.24555626 -0.16632298
H -2.14558421 -2.31907633 0.16934396
H -2.18698872 0.19221398 0.16492478
H 0.85119965 -4.15067549 -0.05811071
F -1.25894077 2.41183149 0.04730210
F 0.59444423 2.37325038 -1.11519018
F 0.67756653 2.36986597 1.06410786
end
basis spherical
* library aug-cc-pvdz
end
driver
tight
clear
maxiter 2000
end
SCF
direct
END
MP2
tight
END
task mp2 optimize
task mp2 freq
And the value of the frequency that i obtain is -5.78
I have used the Negative Nuclear Hessian Mode geometry and it does not solve my problem.
Can someone please help me?
Thanks in advance
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