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	hartrees
Energy at 0K	-278.123588
Energy at 298.15K
HF Energy	-277.077947
Nuclear repulsion energy	133.003267

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.167	0.000
C2	-0.896	1.028	0.000
H3	1.258	0.714	0.000
F4	0.321	-0.644	1.094
F5	0.321	-0.644	-1.094
H6	-1.777	0.397	0.000
H7	-0.900	1.655	0.884
H8	-0.900	1.655	-0.884

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4912	1.0858	1.3614	1.3614	2.1103	2.1180	2.1180
C2	1.4912		2.1774	2.3396	2.3396	1.0836	1.0834	1.0834
H3	1.0858	2.1774		1.9799	1.9799	3.0518	2.5148	2.5148
F4	1.3614	2.3396	1.9799		2.1877	2.5846	2.6110	3.2688
F5	1.3614	2.3396	1.9799	2.1877		2.5846	3.2688	2.6110
H6	2.1103	1.0836	3.0518	2.5846	2.5846		1.7698	1.7698
H7	2.1180	1.0834	2.5148	2.6110	3.2688	1.7698		1.7678
H8	2.1180	1.0834	2.5148	3.2688	2.6110	1.7698	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.068	C1	C2	H7	109.690
C1	C2	H8	109.690	C2	C1	H3	114.411
C2	C1	F4	110.119	C2	C1	F5	110.119
H3	C1	F4	107.475	H3	C1	F5	107.475
F4	C1	F5	106.930	H6	C2	H7	109.513
H6	C2	H8	109.513	H7	C2	H8	109.352

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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: MP2=FULL/aug-cc-pVQZ

States and conformations

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