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	hartrees
Energy at 0K	-337.613788
Energy at 298.15K
HF Energy	-336.789419
Nuclear repulsion energy	134.228102

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	3009	41.50	55.48	0.21	0.34
2	A₁	1181	1115	94.75	4.10	0.01	0.01
3	A₁	717	678	13.12	1.65	0.29	0.45
4	E	1453	1372	67.09	2.89	0.75	0.86
4	E	1453	1372	67.09	2.89	0.75	0.86
5	E	1228	1160	227.35	2.25	0.75	0.86
5	E	1228	1160	227.35	2.25	0.75	0.86
6	E	516	487	2.69	0.86	0.75	0.86
6	E	516	487	2.69	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.335
H2	0.000	0.000	1.425
F3	0.000	1.245	-0.127
F4	1.079	-0.623	-0.127
F5	-1.079	-0.623	-0.127

	C1	H2	F3	F4	F5
C1		1.0901	1.3286	1.3286	1.3286
H2	1.0901		1.9905	1.9905	1.9905
F3	1.3286	1.9905		2.1571	2.1571
F4	1.3286	1.9905	2.1571		2.1571
F5	1.3286	1.9905	2.1571	2.1571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.383	H2	C1	F4	110.383
H2	C1	F5	110.383	F3	C1	F4	108.544
F3	C1	F5	108.544	F4	C1	F5	108.544

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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