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	hartrees
Energy at 0K	-337.873135
Energy at 298.15K
HF Energy	-336.906895
Nuclear repulsion energy	134.078825

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	3220	3057	33.55	62.41	0.18	0.31
2	A₁	1171	1111	100.70	3.10	0.01	0.01
3	A₁	715	679	13.61	1.92	0.34	0.51
4	E	1441	1368	51.98	2.19	0.75	0.86
4	E	1441	1368	51.98	2.19	0.75	0.86
5	E	1204	1143	282.53	2.03	0.75	0.86
5	E	1204	1143	282.53	2.03	0.75	0.86
6	E	519	492	2.58	1.01	0.75	0.86
6	E	519	492	2.58	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	1.416
F3	0.000	1.248	-0.127
F4	1.080	-0.624	-0.127
F5	-1.080	-0.624	-0.127

	C1	H2	F3	F4	F5
C1		1.0801	1.3306	1.3306	1.3306
H2	1.0801		1.9841	1.9841	1.9841
F3	1.3306	1.9841		2.1608	2.1608
F4	1.3306	1.9841	2.1608		2.1608
F5	1.3306	1.9841	2.1608	2.1608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.348	H2	C1	F4	110.348
H2	C1	F5	110.348	F3	C1	F4	108.580
F3	C1	F5	108.580	F4	C1	F5	108.580

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

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

States and conformations

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