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	hartrees
Energy at 0K	-337.944247
Energy at 298.15K
HF Energy	-336.911689
Nuclear repulsion energy	133.856851

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
H2	0.000	0.000	1.424
F3	0.000	1.248	-0.128
F4	1.081	-0.624	-0.128
F5	-1.081	-0.624	-0.128

	C1	H2	F3	F4	F5
C1		1.0846	1.3333	1.3333	1.3333
H2	1.0846		1.9923	1.9923	1.9923
F3	1.3333	1.9923		2.1624	2.1624
F4	1.3333	1.9923	2.1624		2.1624
F5	1.3333	1.9923	2.1624	2.1624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.549	H2	C1	F4	110.549
H2	C1	F5	110.549	F3	C1	F4	108.372
F3	C1	F5	108.372	F4	C1	F5	108.372

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

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(T)=FULL/aug-cc-pVTZ

States and conformations

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