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	hartrees
Energy at 0K	-338.088449
Energy at 298.15K
HF Energy	-336.907611
Nuclear repulsion energy	133.928720

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
H2	0.000	0.000	1.423
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		1.0862	1.3319	1.3319	1.3319
H2	1.0862		1.9905	1.9905	1.9905
F3	1.3319	1.9905		2.1623	2.1623
F4	1.3319	1.9905	2.1623		2.1623
F5	1.3319	1.9905	2.1623	2.1623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.395	H2	C1	F4	110.395
H2	C1	F5	110.395	F3	C1	F4	108.532
F3	C1	F5	108.532	F4	C1	F5	108.532

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

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

States and conformations

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