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	hartrees
Energy at 0K	-338.075175
Energy at 298.15K
HF Energy	-336.912404
Nuclear repulsion energy	133.771929

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	3205	3205	21.64	66.90	0.16	0.28
2	A₁	1157	1157	93.79	6.35	0.02	0.03
3	A₁	705	705	12.95	2.04	0.19	0.32
4	E	1416	1416	42.03	1.55	0.75	0.86
4	E	1416	1416	42.03	1.55	0.75	0.86
5	E	1178	1178	297.09	2.00	0.75	0.86
5	E	1178	1178	297.09	2.00	0.75	0.86
6	E	511	511	2.35	0.75	0.75	0.86
6	E	511	511	2.35	0.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
H2	0.000	0.000	1.423
F3	0.000	1.250	-0.128
F4	1.082	-0.625	-0.128
F5	-1.082	-0.625	-0.128

	C1	H2	F3	F4	F5
C1		1.0844	1.3341	1.3341	1.3341
H2	1.0844		1.9922	1.9922	1.9922
F3	1.3341	1.9922		2.1644	2.1644
F4	1.3341	1.9922	2.1644		2.1644
F5	1.3341	1.9922	2.1644	2.1644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.497	H2	C1	F4	110.497
H2	C1	F5	110.497	F3	C1	F4	108.426
F3	C1	F5	108.426	F4	C1	F5	108.426

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

using model chemistry: MP2=FULL/aug-cc-pCVTZ

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/aug-cc-pCVTZ

States and conformations

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