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	hartrees
Energy at 0K	-332.100062
Energy at 298.15K
HF Energy	-332.100062
Nuclear repulsion energy	130.067114

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	3491	2850	12.76	32.78	0.38	0.55
2	A₁	1227	1002	44.44	4.29	0.00	0.00
3	A₁	685	559	24.52	1.26	0.55	0.71
4	E	1630	1331	78.58	3.14	0.75	0.86
4	E	1630	1331	78.58	3.14	0.75	0.86
5	E	1373	1121	22.58	7.53	0.75	0.86
5	E	1373	1121	22.58	7.53	0.75	0.86
6	E	488	399	6.04	1.26	0.75	0.86
6	E	488	399	6.04	1.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.345
H2	0.000	0.000	1.464
F3	0.000	1.286	-0.131
F4	1.114	-0.643	-0.131
F5	-1.114	-0.643	-0.131

	C1	H2	F3	F4	F5
C1		1.1191	1.3711	1.3711	1.3711
H2	1.1191		2.0487	2.0487	2.0487
F3	1.3711	2.0487		2.2273	2.2273
F4	1.3711	2.0487	2.2273		2.2273
F5	1.3711	2.0487	2.2273	2.2273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.301	H2	C1	F4	110.301
H2	C1	F5	110.301	F3	C1	F4	108.629
F3	C1	F5	108.629	F4	C1	F5	108.629

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

using model chemistry: HF/STO-3G

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	0.371
2	H	0.069
3	F	-0.147
4	F	-0.147
5	F	-0.147

	x	y	z	Total
	0.000	0.000	1.127	1.127
CHELPG
AIM
ESP

<r²>	59.508
(<r²>)^1/2	7.714

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

using model chemistry: HF/STO-3G

States and conformations

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