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	hartrees
Energy at 0K	-337.487640
Energy at 298.15K
HF Energy	-336.817391
Nuclear repulsion energy	133.716980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3290	24.47
2	A₁	1180	1180	105.64
3	A₁	715	715	15.48
4	E	1448	1448	56.56
4	E	1448	1448	56.56
5	E	1223	1223	294.43
5	E	1223	1223	294.43
6	E	517	517	3.18
6	E	517	517	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
H2	0.000	0.000	1.429
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		1.0890	1.3345	1.3345	1.3345
H2	1.0890		1.9965	1.9965	1.9965
F3	1.3345	1.9965		2.1646	2.1646
F4	1.3345	1.9965	2.1646		2.1646
F5	1.3345	1.9965	2.1646	2.1646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.529	H2	C1	F4	110.529
H2	C1	F5	110.529	F3	C1	F4	108.393
F3	C1	F5	108.393	F4	C1	F5	108.392

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

using model chemistry: CISD/daug-cc-pVDZ

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: CISD/daug-cc-pVDZ

States and conformations

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