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	hartrees
Energy at 0K	-278.026493
Energy at 298.15K
HF Energy	-277.057631
Nuclear repulsion energy	125.814638

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.626	0.000
C2	-0.426	-0.626	0.000
F3	-0.426	1.721	0.000
F4	0.426	-1.721	0.000
H5	1.051	0.672	0.892
H6	1.051	0.672	-0.892
H7	-1.051	-0.672	0.892
H8	-1.051	-0.672	-0.892

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5140	1.3870	2.3464	1.0901	1.0901	2.1589	2.1589
C2	1.5140		2.3464	1.3870	2.1589	2.1589	1.0901	1.0901
F3	1.3870	2.3464		3.5449	2.0193	2.0193	2.6284	2.6284
F4	2.3464	1.3870	3.5449		2.6284	2.6284	2.0193	2.0193
H5	1.0901	2.1589	2.0193	2.6284		1.7831	2.4954	3.0670
H6	1.0901	2.1589	2.0193	2.6284	1.7831		3.0670	2.4954
H7	2.1589	1.0901	2.6284	2.0193	2.4954	3.0670		1.7831
H8	2.1589	1.0901	2.6284	2.0193	3.0670	2.4954	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.882	C1	C2	H7	110.952
C1	C2	H8	110.952	C2	C1	F3	107.882
C2	C1	H5	110.952	C2	C1	H6	110.952
F3	C1	H5	108.619	F3	C1	H6	108.619
F4	C2	H7	108.619	F4	C2	H8	108.619
H5	C1	H6	109.737	H7	C2	H8	109.737

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

using model chemistry: CCSD(T)/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 C2H4F2 (1,2-difluoroethane)

using model chemistry: CCSD(T)/aug-cc-pVQZ

States and conformations

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