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	hartrees
Energy at 0K	-278.031652
Energy at 298.15K
HF Energy	-277.039406
Nuclear repulsion energy	125.707850

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.623	0.000
C2	-0.426	-0.623	0.000
F3	-0.426	1.723	0.000
F4	0.426	-1.723	0.000
H5	1.049	0.669	0.893
H6	1.049	0.669	-0.893
H7	-1.049	-0.669	0.893
H8	-1.049	-0.669	-0.893

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5094	1.3921	2.3458	1.0891	1.0891	2.1544	2.1544
C2	1.5094		2.3458	1.3921	2.1544	2.1544	1.0891	1.0891
F3	1.3921	2.3458		3.5501	2.0210	2.0210	2.6279	2.6279
F4	2.3458	1.3921	3.5501		2.6279	2.6279	2.0210	2.0210
H5	1.0891	2.1544	2.0210	2.6279		1.7851	2.4881	3.0622
H6	1.0891	2.1544	2.0210	2.6279	1.7851		3.0622	2.4881
H7	2.1544	1.0891	2.6279	2.0210	2.4881	3.0622		1.7851
H8	2.1544	1.0891	2.6279	2.0210	3.0622	2.4881	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.822	C1	C2	H7	110.972
C1	C2	H8	110.972	C2	C1	F3	107.822
C2	C1	H5	110.972	C2	C1	H6	110.972
F3	C1	H5	108.457	F3	C1	H6	108.457
F4	C2	H7	108.457	F4	C2	H8	108.457
H5	C1	H6	110.065	H7	C2	H8	110.065

All results from a given calculation for C₂H₄F₂ (1,2-difluoroethane)

using model chemistry: MP4=FULL/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 C2H4F2 (1,2-difluoroethane)

using model chemistry: MP4=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄F₂ (1,2-difluoroethane)