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	hartrees
Energy at 0K	-277.829014
Energy at 298.15K
HF Energy	-277.060633
Nuclear repulsion energy	133.658206

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.162	0.000
C2	-0.897	1.029	0.000
H3	1.253	0.711	0.000
F4	0.321	-0.643	1.083
F5	0.321	-0.643	-1.083
H6	-1.779	0.404	0.000
H7	-0.899	1.654	0.882
H8	-0.899	1.654	-0.882

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4951	1.0819	1.3493	1.3493	2.1143	2.1199	2.1199
C2	1.4951		2.1732	2.3347	2.3347	1.0812	1.0809	1.0809
H3	1.0819	2.1732		1.9686	1.9686	3.0478	2.5096	2.5096
F4	1.3493	2.3347	1.9686		2.1666	2.5847	2.6088	3.2597
F5	1.3493	2.3347	1.9686	2.1666		2.5847	3.2597	2.6088
H6	2.1143	1.0812	3.0478	2.5847	2.5847		1.7650	1.7650
H7	2.1199	1.0809	2.5096	2.6088	3.2597	1.7650		1.7632
H8	2.1199	1.0809	2.5096	3.2597	2.6088	1.7650	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.249	C1	C2	H7	109.712
C1	C2	H8	109.712	C2	C1	H3	114.018
C2	C1	F4	110.227	C2	C1	F5	110.227
H3	C1	F4	107.630	H3	C1	F5	107.630
F4	C1	F5	106.811	H6	C2	H7	109.434
H6	C2	H8	109.434	H7	C2	H8	109.286

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

using model chemistry: CISD/daug-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 CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: CISD/daug-cc-pVTZ

States and conformations

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