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	hartrees
Energy at 0K	-337.819002
Energy at 298.15K
HF Energy	-336.906471
Nuclear repulsion energy	133.798261

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	3042	33.87	63.41	0.18	0.31
2	A₁	1165	1106	101.17	3.17	0.01	0.01
3	A₁	712	676	13.60	1.94	0.34	0.51
4	E	1431	1359	54.50	2.21	0.75	0.86
4	E	1431	1359	54.50	2.21	0.75	0.86
5	E	1198	1138	279.90	2.11	0.75	0.86
5	E	1198	1138	279.90	2.11	0.75	0.86
6	E	515	489	2.56	1.02	0.75	0.86
6	E	515	489	2.56	1.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
H2	0.000	0.000	1.421
F3	0.000	1.250	-0.127
F4	1.082	-0.625	-0.127
F5	-1.082	-0.625	-0.127

	C1	H2	F3	F4	F5
C1		1.0847	1.3333	1.3333	1.3333
H2	1.0847		1.9902	1.9902	1.9902
F3	1.3333	1.9902		2.1650	2.1650
F4	1.3333	1.9902	2.1650		2.1650
F5	1.3333	1.9902	2.1650	2.1650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.366	H2	C1	F4	110.366
H2	C1	F5	110.366	F3	C1	F4	108.562
F3	C1	F5	108.562	F4	C1	F5	108.562

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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