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	hartrees
Energy at 0K	-277.995369
Energy at 298.15K
HF Energy	-277.040234
Nuclear repulsion energy	126.331542

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.624	0.000
C2	-0.423	-0.624	0.000
F3	-0.423	1.714	0.000
F4	0.423	-1.714	0.000
H5	1.047	0.668	0.890
H6	1.047	0.668	-0.890
H7	-1.047	-0.668	0.890
H8	-1.047	-0.668	-0.890

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5076	1.3802	2.3378	1.0873	1.0873	2.1497	2.1497
C2	1.5076		2.3378	1.3802	2.1497	2.1497	1.0873	1.0873
F3	1.3802	2.3378		3.5310	2.0116	2.0116	2.6181	2.6181
F4	2.3378	1.3802	3.5310		2.6181	2.6181	2.0116	2.0116
H5	1.0873	2.1497	2.0116	2.6181		1.7793	2.4836	3.0551
H6	1.0873	2.1497	2.0116	2.6181	1.7793		3.0551	2.4836
H7	2.1497	1.0873	2.6181	2.0116	2.4836	3.0551		1.7793
H8	2.1497	1.0873	2.6181	2.0116	3.0551	2.4836	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.025	C1	C2	H7	110.833
C1	C2	H8	110.833	C2	C1	F3	108.025
C2	C1	H5	110.833	C2	C1	H6	110.833
F3	C1	H5	108.635	F3	C1	H6	108.635
F4	C2	H7	108.635	F4	C2	H8	108.635
H5	C1	H6	109.807	H7	C2	H8	109.807

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

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

States and conformations

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