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	hartrees
Energy at 0K	-337.615180
Energy at 298.15K
HF Energy	-336.865485
Nuclear repulsion energy	133.568096

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	3221	3061	47.36	61.30	0.20	0.34
2	A₁	1164	1106	118.33	3.09	0.00	0.00
3	A₁	710	675	15.70	1.82	0.44	0.61
4	E	1450	1377	77.21	3.52	0.75	0.86
4	E	1450	1377	77.21	3.52	0.75	0.86
5	E	1204	1144	286.44	2.50	0.75	0.86
5	E	1204	1144	286.44	2.50	0.75	0.86
6	E	516	491	3.08	1.34	0.75	0.86
6	E	516	491	3.08	1.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.336
H2	0.000	0.000	1.423
F3	0.000	1.252	-0.127
F4	1.085	-0.626	-0.127
F5	-1.085	-0.626	-0.127

	C1	H2	F3	F4	F5
C1		1.0875	1.3353	1.3353	1.3353
H2	1.0875		1.9933	1.9933	1.9933
F3	1.3353	1.9933		2.1692	2.1692
F4	1.3353	1.9933	2.1692		2.1692
F5	1.3353	1.9933	2.1692	2.1692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.299	H2	C1	F4	110.299
H2	C1	F5	110.299	F3	C1	F4	108.631
F3	C1	F5	108.631	F4	C1	F5	108.631

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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