WebMO Job Summary

506979: O2 oxygen (triplet), Optimize + Vib Freq - Gaussian

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Calculated Quantities

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Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	O2(3)
Symmetry	D*H
Basis	6-31G(d)
UB3LYP Energy	-150.320040194 Hartree
ZPE	0.003779 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-150.313898 Hartree
Enthalpy	-150.312954 Hartree
Free Energy	-150.336240 Hartree
Cv	5.011 cal/mol-K
Entropy	49.010 cal/mol-K
Dipole Moment	0.0000 Debye
Server	batch (520023)
CPU time	9.2 sec

Geometry Sequence Energies

Step	Energy
0	-150.320037300
1	-150.320040131
2	-150.320040194
3	-150.320040194
4	-150.320040194
Animation speed
Loop	None Loop Cycle

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.0000000	0.00000000000
b	42.8394524	1.42897031786
c	42.8394524	1.42897031786

Vibrational Modes

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	SGG	1658.9592	0.0000
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

Quote

A DANDELION FROM A LOVER MEANS MORE THAN AN ORCHID FROM A FRIEND.