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	hartrees
Energy at 0K	-336.260611
Energy at 298.15K
HF Energy	-336.260611
Nuclear repulsion energy	131.216738

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	3204	3071	45.59	53.12	0.23	0.38
2	A₁	1146	1098	108.97	4.78	0.00	0.00
3	A₁	670	642	23.21	1.80	0.54	0.70
4	E	1477	1416	93.80	5.64	0.75	0.86
4	E	1477	1416	93.64	5.63	0.75	0.86
5	E	1241	1190	164.33	5.12	0.75	0.86
5	E	1241	1189	164.33	5.11	0.75	0.86
6	E	486	466	7.34	1.56	0.75	0.86
6	E	486	466	7.33	1.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.348
H2	0.000	0.000	1.432
F3	0.000	1.275	-0.130
F4	1.104	-0.637	-0.130
F5	-1.104	-0.637	-0.130

	C1	H2	F3	F4	F5
C1		1.0840	1.3616	1.3616	1.3616
H2	1.0840		2.0168	2.0168	2.0168
F3	1.3616	2.0168		2.2077	2.2077
F4	1.3616	2.0168	2.2077		2.2077
F5	1.3616	2.0168	2.2077	2.2077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.593	H2	C1	F4	110.593
H2	C1	F5	110.593	F3	C1	F4	108.326
F3	C1	F5	108.326	F4	C1	F5	108.326

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

using model chemistry: M06-2X/3-21G

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	0.710
2	H	0.214
3	F	-0.308
4	F	-0.308
5	F	-0.308

	x	y	z	Total
	0.000	0.000	1.823	1.823
CHELPG
AIM
ESP

<r²>	60.065
(<r²>)^1/2	7.750

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

using model chemistry: M06-2X/3-21G

States and conformations

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