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	hartrees
Energy at 0K	-338.056735
Energy at 298.15K
HF Energy	-336.908305
Nuclear repulsion energy	134.461126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3190	34.97
2	A₁	1184	1184	105.53
3	A₁	724	724	15.02
4	E	1449	1449	65.61
4	E	1449	1449	65.61
5	E	1229	1229	263.20
5	E	1229	1229	263.20
6	E	525	525	3.10
6	E	525	525	3.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.335
H2	0.000	0.000	1.419
F3	0.000	1.243	-0.127
F4	1.077	-0.622	-0.127
F5	-1.077	-0.622	-0.127

	C1	H2	F3	F4	F5
C1		1.0842	1.3265	1.3265	1.3265
H2	1.0842		1.9842	1.9842	1.9842
F3	1.3265	1.9842		2.1537	2.1537
F4	1.3265	1.9842	2.1537		2.1537
F5	1.3265	1.9842	2.1537	2.1537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.385	H2	C1	F4	110.385
H2	C1	F5	110.385	F3	C1	F4	108.542
F3	C1	F5	108.542	F4	C1	F5	108.542

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

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

States and conformations

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