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	hartrees
Energy at 0K	-376.756576
Energy at 298.15K
HF Energy	-375.840839
Nuclear repulsion energy	189.541136

Atom	x (Å)	y (Å)	z (Å)
C1	-0.776	-0.599	-0.287
C2	0.467	0.019	0.331
F3	-1.890	0.111	0.152
F4	1.544	-0.761	-0.008
F5	0.681	1.267	-0.184
H6	-0.719	-0.538	-1.384
H7	-0.872	-1.646	0.041
H8	0.420	0.103	1.427

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5192	1.3921	2.3424	2.3700	1.1006	1.1008	2.2041
C2	1.5192		2.3653	1.3728	1.3672	2.1581	2.1557	1.1001
F3	1.3921	2.3653		3.5468	2.8389	2.0377	2.0337	2.6379
F4	2.3424	1.3728	3.5468		2.2118	2.6581	2.5730	2.0175
F5	2.3700	1.3672	2.8389	2.2118		2.5804	3.3087	2.0047
H6	1.1006	2.1581	2.0377	2.6581	2.5804		1.8114	3.0997
H7	1.1008	2.1557	2.0337	2.5730	3.3087	1.8114		2.5781
H8	2.2041	1.1001	2.6379	2.0175	2.0047	3.0997	2.5781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.076	C1	C2	F5	110.274
C1	C2	H8	113.634	C2	C1	F3	108.592
C2	C1	H6	109.897	C2	C1	H7	109.700
F3	C1	H6	109.101	F3	C1	H7	108.773
F4	C2	F5	107.646	F4	C2	H8	108.846
F5	C2	H8	108.195	H6	C1	H7	110.736

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)

using model chemistry: CCD/daug-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 CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: CCD/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)