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	hartrees
Energy at 0K	-336.790909
Energy at 298.15K
HF Energy	-336.790909
Nuclear repulsion energy	136.294152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3308	2995	53.25	54.98	0.20	0.34
2	A₁	1266	1147	129.73	3.62	0.02	0.03
3	A₁	773	700	18.37	1.23	0.28	0.44
4	E	1567	1419	89.83	2.30	0.75	0.86
4	E	1567	1419	89.83	2.30	0.75	0.86
5	E	1326	1200	255.47	2.42	0.75	0.86
5	E	1326	1200	255.47	2.42	0.75	0.86
6	E	559	506	4.04	0.62	0.75	0.86
6	E	559	506	4.04	0.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.330
H2	0.000	0.000	1.410
F3	0.000	1.226	-0.126
F4	1.062	-0.613	-0.126
F5	-1.062	-0.613	-0.126

	C1	H2	F3	F4	F5
C1		1.0795	1.3082	1.3082	1.3082
H2	1.0795		1.9650	1.9650	1.9650
F3	1.3082	1.9650		2.1237	2.1237
F4	1.3082	1.9650	2.1237		2.1237
F5	1.3082	1.9650	2.1237	2.1237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.403	H2	C1	F4	110.403
H2	C1	F5	110.403	F3	C1	F4	108.524
F3	C1	F5	108.524	F4	C1	F5	108.524

All results from a given calculation for CHF₃ (Methane, trifluoro-)

using model chemistry: HF/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.466
2	H	0.117
3	F	-0.194
4	F	-0.194
5	F	-0.194

	x	y	z	Total
	0.000	0.000	1.583	1.583
CHELPG
AIM
ESP

<r²>	56.385
(<r²>)^1/2	7.509

All results from a given calculation for CHF3 (Methane, trifluoro-)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for CHF₃ (Methane, trifluoro-)