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	hartrees
Energy at 0K	-337.171263
Energy at 298.15K
HF Energy	-336.736750
Nuclear repulsion energy	126.942206

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	3256	3136	23.38	60.21	0.20	0.33
2	A₁	1010	973	102.47	6.72	0.00	0.00
3	A₁	605	583	20.94	3.39	0.40	0.57
4	E	1346	1296	36.60	4.38	0.75	0.86
4	E	1346	1296	36.60	4.38	0.75	0.86
5	E	1044	1005	276.30	4.06	0.75	0.86
5	E	1044	1005	276.30	4.06	0.75	0.86
6	E	437	421	5.73	2.23	0.75	0.86
6	E	437	421	5.73	2.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.459
F3	0.000	1.318	-0.136
F4	1.141	-0.659	-0.136
F5	-1.141	-0.659	-0.136

	C1	H2	F3	F4	F5
C1		1.0917	1.4104	1.4104	1.4104
H2	1.0917		2.0687	2.0687	2.0687
F3	1.4104	2.0687		2.2822	2.2822
F4	1.4104	2.0687	2.2822		2.2822
F5	1.4104	2.0687	2.2822	2.2822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.898	H2	C1	F4	110.898
H2	C1	F5	110.898	F3	C1	F4	108.007
F3	C1	F5	108.007	F4	C1	F5	108.007

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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