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	hartrees
Energy at 0K	-336.909244
Energy at 298.15K
HF Energy	-336.909244
Nuclear repulsion energy	136.106934

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	3316	3028	45.47	61.15	0.17	0.30
2	A₁	1259	1150	136.81	2.74	0.01	0.03
3	A₁	773	706	19.09	1.38	0.35	0.51
4	E	1552	1417	77.61	1.66	0.75	0.86
4	E	1552	1417	77.61	1.66	0.75	0.86
5	E	1307	1194	304.32	2.38	0.75	0.86
5	E	1307	1194	304.32	2.38	0.75	0.86
6	E	560	512	4.07	0.73	0.75	0.86
6	E	560	512	4.07	0.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
H2	0.000	0.000	1.408
F3	0.000	1.228	-0.126
F4	1.063	-0.614	-0.126
F5	-1.063	-0.614	-0.126

	C1	H2	F3	F4	F5
C1		1.0765	1.3104	1.3104	1.3104
H2	1.0765		1.9650	1.9650	1.9650
F3	1.3104	1.9650		2.1267	2.1267
F4	1.3104	1.9650	2.1267		2.1267
F5	1.3104	1.9650	2.1267	2.1267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.443	H2	C1	F4	110.443
H2	C1	F5	110.443	F3	C1	F4	108.482
F3	C1	F5	108.482	F4	C1	F5	108.482

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

using model chemistry: HF/cc-pCVTZ

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	0.641
2	H	0.011
3	F	-0.217
4	F	-0.217
5	F	-0.217

	x	y	z	Total
	0.000	0.000	1.717	1.717
CHELPG
AIM
ESP

<r²>	56.733
(<r²>)^1/2	7.532

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

using model chemistry: HF/cc-pCVTZ

States and conformations

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