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	hartrees
Energy at 0K	-337.659489
Energy at 298.15K
HF Energy	-336.883556
Nuclear repulsion energy	133.164827

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	3186	3186	21.99	70.55	0.17	0.28
2	A₁	1144	1144	94.62	6.66	0.02	0.03
3	A₁	702	702	12.70	2.12	0.18	0.31
4	E	1390	1390	44.30	1.84	0.75	0.86
4	E	1390	1390	44.30	1.84	0.75	0.86
5	E	1166	1166	298.18	1.90	0.75	0.86
5	E	1166	1166	298.18	1.90	0.75	0.86
6	E	507	507	2.38	0.75	0.75	0.86
6	E	507	507	2.38	0.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
H2	0.000	0.000	1.440
F3	0.000	1.254	-0.129
F4	1.086	-0.627	-0.129
F5	-1.086	-0.627	-0.129

	C1	H2	F3	F4	F5
C1		1.0976	1.3400	1.3400	1.3400
H2	1.0976		2.0088	2.0088	2.0088
F3	1.3400	2.0088		2.1727	2.1727
F4	1.3400	2.0088	2.1727		2.1727
F5	1.3400	2.0088	2.1727	2.1727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.595	H2	C1	F4	110.595
H2	C1	F5	110.595	F3	C1	F4	108.324
F3	C1	F5	108.324	F4	C1	F5	108.324

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

using model chemistry: MP2=FULL/Sadlej_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=FULL/Sadlej_pVTZ

States and conformations

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