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	hartrees
Energy at 0K	-337.567070
Energy at 298.15K
HF Energy	-336.814978
Nuclear repulsion energy	132.122675

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	3219	3219	21.40	67.71	0.16	0.28
2	A₁	1122	1122	92.39	7.05	0.01	0.03
3	A₁	680	680	12.17	2.27	0.18	0.31
4	E	1386	1386	37.98	1.70	0.75	0.86
4	E	1386	1386	37.98	1.70	0.75	0.86
5	E	1143	1143	303.71	2.04	0.75	0.86
5	E	1143	1143	303.71	2.04	0.75	0.86
6	E	492	492	2.14	0.80	0.75	0.86
6	E	492	492	2.14	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
H2	0.000	0.000	1.439
F3	0.000	1.265	-0.130
F4	1.096	-0.633	-0.130
F5	-1.096	-0.633	-0.130

	C1	H2	F3	F4	F5
C1		1.0954	1.3509	1.3509	1.3509
H2	1.0954		2.0155	2.0155	2.0155
F3	1.3509	2.0155		2.1915	2.1915
F4	1.3509	2.0155	2.1915		2.1915
F5	1.3509	2.0155	2.1915	2.1915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.518	H2	C1	F4	110.518
H2	C1	F5	110.518	F3	C1	F4	108.404
F3	C1	F5	108.404	F4	C1	F5	108.404

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

using model chemistry: MP2/daug-cc-pVDZ

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

using model chemistry: MP2/daug-cc-pVDZ

States and conformations

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