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	hartrees
Energy at 0K	-337.841827
Energy at 298.15K
HF Energy	-336.926118
Nuclear repulsion energy	134.092891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3191	32.41
2	A₁	1174	1174	103.12
3	A₁	717	717	14.54
4	E	1442	1442	62.08
4	E	1442	1442	62.08
5	E	1216	1216	275.66
5	E	1216	1216	275.66
6	E	520	520	2.96
6	E	520	520	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
H2	0.000	0.000	1.422
F3	0.000	1.247	-0.128
F4	1.080	-0.623	-0.128
F5	-1.080	-0.623	-0.128

	C1	H2	F3	F4	F5
C1		1.0847	1.3305	1.3305	1.3305
H2	1.0847		1.9889	1.9889	1.9889
F3	1.3305	1.9889		2.1593	2.1593
F4	1.3305	1.9889	2.1593		2.1593
F5	1.3305	1.9889	2.1593	2.1593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.454	H2	C1	F4	110.454
H2	C1	F5	110.454	F3	C1	F4	108.470
F3	C1	F5	108.470	F4	C1	F5	108.470

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

using model chemistry: QCISD/Def2TZVPP

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: QCISD/Def2TZVPP

States and conformations

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