I added autoz and the clear driver as the folllowing
echo
start ptfe1
geometry autosym units angstrom noautoz
C 0.00000000 0.00000000 0.00000000
F -0.32600000 -0.86100000 0.39000000
F -0.32600000 0.09300000 -0.94100000
F -0.32600000 0.76800000 0.55100000
C 1.50000000 0.00000000 0.00000000
F 1.87200000 -0.10300000 1.04200000
F 1.89900000 -0.85200000 -0.59200000
C 2.05200000 1.27500000 -0.56500000
F 1.70200000 1.40000000 -1.61300000
F 1.70400000 2.15400000 0.01900000
C 3.55200000 1.27100000 -0.57500000
F 3.91700000 0.41500000 -1.18200000
F 3.95100000 2.20500000 -1.02600000
F 3.96700000 1.16700000 0.451000000
end
driver
clear
end
basis
end
dft
xc b3lyp
disp vdw 3
end
task dft optimize
task dft frequencies
......................................................
and it fails to complete the job
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