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	hartrees
Energy at 0K	-335.356850
Energy at 298.15K
HF Energy	-334.950719
Nuclear repulsion energy	131.197025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3044	55.38
2	A₁	1165	1084	121.41
3	A₁	684	637	25.83
4	E	1521	1415	102.21
4	E	1521	1415	102.21
5	E	1267	1179	168.52
5	E	1267	1179	168.52
6	E	499	465	8.67
6	E	499	465	8.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.347
H2	0.000	0.000	1.427
F3	0.000	1.276	-0.130
F4	1.105	-0.638	-0.130
F5	-1.105	-0.638	-0.130

	C1	H2	F3	F4	F5
C1		1.0801	1.3617	1.3617	1.3617
H2	1.0801		2.0126	2.0126	2.0126
F3	1.3617	2.0126		2.2093	2.2093
F4	1.3617	2.0126	2.2093		2.2094
F5	1.3617	2.0126	2.2093	2.2094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.489	H2	C1	F4	110.489
H2	C1	F5	110.489	F3	C1	F4	108.435
F3	C1	F5	108.435	F4	C1	F5	108.435

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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