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	hartrees
Energy at 0K	-337.561764
Energy at 298.15K
HF Energy	-336.812271
Nuclear repulsion energy	132.013039

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	3222	3090	20.70	67.06	0.17	0.28
2	A₁	1119	1073	94.18	6.39	0.01	0.03
3	A₁	676	649	12.62	2.16	0.22	0.36
4	E	1380	1323	39.64	1.64	0.75	0.86
4	E	1380	1323	39.64	1.64	0.75	0.86
5	E	1141	1094	299.56	2.34	0.75	0.86
5	E	1141	1094	299.56	2.34	0.75	0.86
6	E	490	470	2.28	0.88	0.75	0.86
6	E	490	470	2.28	0.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.346
H2	0.000	0.000	1.442
F3	0.000	1.266	-0.130
F4	1.096	-0.633	-0.130
F5	-1.096	-0.633	-0.130

	C1	H2	F3	F4	F5
C1		1.0960	1.3524	1.3524	1.3524
H2	1.0960		2.0183	2.0183	2.0183
F3	1.3524	2.0183		2.1926	2.1926
F4	1.3524	2.0183	2.1926		2.1926
F5	1.3524	2.0183	2.1926	2.1926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.607	H2	C1	F4	110.607
H2	C1	F5	110.607	F3	C1	F4	108.312
F3	C1	F5	108.312	F4	C1	F5	108.312

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

using model chemistry: MP2/aug-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/aug-cc-pVDZ

States and conformations

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