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	hartrees
Energy at 0K	-277.660095
Energy at 298.15K
HF Energy	-276.959840
Nuclear repulsion energy	131.642612

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.163	0.000
C2	-0.910	1.034	0.000
H3	1.274	0.735	0.000
F4	0.327	-0.647	1.104
F5	0.327	-0.647	-1.104
H6	-1.804	0.386	0.000
H7	-0.922	1.672	0.901
H8	-0.922	1.672	-0.901

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5126	1.1063	1.3698	1.3698	2.1424	2.1552	2.1552
C2	1.5126		2.2048	2.3612	2.3612	1.1042	1.1038	1.1038
H3	1.1063	2.2048		2.0066	2.0066	3.0980	2.5516	2.5516
F4	1.3698	2.3612	2.0066		2.2082	2.6128	2.6416	3.3099
F5	1.3698	2.3612	2.0066	2.2082		2.6128	3.3099	2.6416
H6	2.1424	1.1042	3.0980	2.6128	2.6128		1.8012	1.8012
H7	2.1552	1.1038	2.5516	2.6416	3.3099	1.8012		1.8014
H8	2.1552	1.1038	2.5516	3.3099	2.6416	1.8012	1.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.917	C1	C2	H7	109.941
C1	C2	H8	109.941	C2	C1	H3	113.776
C2	C1	F4	109.913	C2	C1	F5	109.913
H3	C1	F4	107.795	H3	C1	F5	107.795
F4	C1	F5	107.426	H6	C2	H7	109.325
H6	C2	H8	109.325	H7	C2	H8	109.375

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)

using model chemistry: CCSD(T)/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 CH3CHF2 (Ethane, 1,1-difluoro-)

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

States and conformations

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)