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	hartrees
Energy at 0K	-337.514550
Energy at 298.15K
HF Energy	-336.788339
Nuclear repulsion energy	133.079154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3169	3052
2	A₁	1150	1108
3	A₁	703	677
4	E	1425	1372
4	E	1425	1372
5	E	1209	1164
5	E	1209	1164
6	E	513	494
6	E	512	494

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.439
F3	0.000	1.256	-0.128
F4	1.088	-0.628	-0.128
F5	-1.088	-0.628	-0.128

	C1	H2	F3	F4	F5
C1		1.1009	1.3400	1.3400	1.3400
H2	1.1009		2.0085	2.0085	2.0085
F3	1.3400	2.0085		2.1759	2.1759
F4	1.3400	2.0085	2.1759		2.1759
F5	1.3400	2.0085	2.1759	2.1759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.359	H2	C1	F4	110.359
H2	C1	F5	110.359	F3	C1	F4	108.569
F3	C1	F5	108.569	F4	C1	F5	108.569

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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