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	hartrees
Energy at 0K	-336.777220
Energy at 298.15K
HF Energy	-336.777220
Nuclear repulsion energy	133.932125

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	3025	2994	42.14	72.65	0.21	0.34
2	A₁	1140	1128	105.18	3.01	0.01	0.02
3	A₁	694	687	14.15	1.92	0.49	0.66
4	E	1340	1326	79.14	3.74	0.75	0.86
4	E	1340	1326	79.13	3.74	0.75	0.86
5	E	1156	1144	265.95	2.82	0.75	0.86
5	E	1156	1144	265.95	2.82	0.75	0.86
6	E	501	496	2.25	1.37	0.75	0.86
6	E	501	496	2.25	1.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.441
F3	0.000	1.247	-0.128
F4	1.080	-0.624	-0.128
F5	-1.080	-0.624	-0.128

	C1	H2	F3	F4	F5
C1		1.1036	1.3313	1.3313	1.3313
H2	1.1036		2.0049	2.0049	2.0049
F3	1.3313	2.0049		2.1599	2.1599
F4	1.3313	2.0049	2.1599		2.1599
F5	1.3313	2.0049	2.1599	2.1599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.500	H2	C1	F4	110.500
H2	C1	F5	110.500	F3	C1	F4	108.423
F3	C1	F5	108.423	F4	C1	F5	108.423

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

using model chemistry: SVWN/6-311G**

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	0.348
2	H	0.119
3	F	-0.156
4	F	-0.156
5	F	-0.156

	x	y	z	Total
	0.000	0.000	1.493	1.493
CHELPG
AIM
ESP

<r²>	58.202
(<r²>)^1/2	7.629

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

using model chemistry: SVWN/6-311G**

States and conformations

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