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	hartrees
Energy at 0K	-338.048717
Energy at 298.15K
HF Energy	-336.907760
Nuclear repulsion energy	134.019119

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	3207	3050	33.65	63.50	0.18	0.30
2	A₁	1168	1111	101.01	3.15	0.01	0.01
3	A₁	714	679	13.51	1.89	0.34	0.51
4	E	1435	1365	52.77	2.20	0.75	0.86
4	E	1435	1365	52.77	2.20	0.75	0.86
5	E	1200	1141	278.49	2.07	0.75	0.86
5	E	1200	1141	278.49	2.07	0.75	0.86
6	E	518	492	2.55	1.01	0.75	0.86
6	E	518	492	2.55	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.336
H2	0.000	0.000	1.420
F3	0.000	1.248	-0.127
F4	1.081	-0.624	-0.127
F5	-1.081	-0.624	-0.127

	C1	H2	F3	F4	F5
C1		1.0835	1.3311	1.3311	1.3311
H2	1.0835		1.9874	1.9874	1.9874
F3	1.3311	1.9874		2.1613	2.1613
F4	1.3311	1.9874	2.1613		2.1613
F5	1.3311	1.9874	2.1613	2.1613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.369	H2	C1	F4	110.369
H2	C1	F5	110.369	F3	C1	F4	108.559
F3	C1	F5	108.559	F4	C1	F5	108.559

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

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

States and conformations

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