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282: C4H6_triplet_tmm, Optimize + Vib Freq - Gaussian

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Quantity Value
Route #N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry C4H6(3)
Symmetry D3H
Basis 6-31G(d)
UB3LYP Energy -155.927246554 Hartree
ZPE 0.080943 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -155.841437 Hartree
Enthalpy -155.840493 Hartree
Free Energy -155.872042 Hartree
Cv 18.377 cal/mol-K
Entropy 66.401 cal/mol-K
Dipole Moment 0.0000 Debye
Server localhost (1184)
CPU time 22.3 sec