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	hartrees
Energy at 0K	-277.952020
Energy at 298.15K
HF Energy	-277.035194
Nuclear repulsion energy	126.790507

Atom	x (Å)	y (Å)	z (Å)
C1	0.420	0.625	0.000
C2	-0.420	-0.625	0.000
F3	-0.420	1.709	0.000
F4	0.420	-1.709	0.000
H5	1.045	0.663	0.884
H6	1.045	0.663	-0.884
H7	-1.045	-0.663	0.884
H8	-1.045	-0.663	-0.884

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5070	1.3717	2.3344	1.0835	1.0835	2.1422	2.1422
C2	1.5070		2.3344	1.3717	2.1422	2.1422	1.0835	1.0835
F3	1.3717	2.3344		3.5201	2.0063	2.0063	2.6072	2.6072
F4	2.3344	1.3717	3.5201		2.6072	2.6072	2.0063	2.0063
H5	1.0835	2.1422	2.0063	2.6072		1.7688	2.4752	3.0422
H6	1.0835	2.1422	2.0063	2.6072	1.7688		3.0422	2.4752
H7	2.1422	1.0835	2.6072	2.0063	2.4752	3.0422		1.7688
H8	2.1422	1.0835	2.6072	2.0063	3.0422	2.4752	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.284	C1	C2	H7	110.507
C1	C2	H8	110.507	C2	C1	F3	108.284
C2	C1	H5	110.507	C2	C1	H6	110.507
F3	C1	H5	109.043	F3	C1	H6	109.043
F4	C2	H7	109.043	F4	C2	H8	109.043
H5	C1	H6	109.419	H7	C2	H8	109.419

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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