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	hartrees
Energy at 0K	-278.021136
Energy at 298.15K
HF Energy	-277.039292
Nuclear repulsion energy	125.960180

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.623	0.000
C2	-0.425	-0.623	0.000
F3	-0.425	1.719	0.000
F4	0.425	-1.719	0.000
H5	1.049	0.668	0.891
H6	1.049	0.668	-0.891
H7	-1.049	-0.668	0.891
H8	-1.049	-0.668	-0.891

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5091	1.3869	2.3425	1.0889	1.0889	2.1528	2.1528
C2	1.5091		2.3425	1.3869	2.1528	2.1528	1.0889	1.0889
F3	1.3869	2.3425		3.5418	2.0182	2.0182	2.6230	2.6230
F4	2.3425	1.3869	3.5418		2.6230	2.6230	2.0182	2.0182
H5	1.0889	2.1528	2.0182	2.6230		1.7828	2.4868	3.0598
H6	1.0889	2.1528	2.0182	2.6230	1.7828		3.0598	2.4868
H7	2.1528	1.0889	2.6230	2.0182	2.4868	3.0598		1.7828
H8	2.1528	1.0889	2.6230	2.0182	3.0598	2.4868	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.893	C1	C2	H7	110.878
C1	C2	H8	110.878	C2	C1	F3	107.893
C2	C1	H5	110.878	C2	C1	H6	110.878
F3	C1	H5	108.607	F3	C1	H6	108.607
F4	C2	H7	108.607	F4	C2	H8	108.607
H5	C1	H6	109.899	H7	C2	H8	109.899

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

using model chemistry: CCSD(T)=FULL/aug-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: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

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