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	hartrees
Energy at 0K	-278.152932
Energy at 298.15K
HF Energy	-277.057960
Nuclear repulsion energy	126.105688

Atom	x (Å)	y (Å)	z (Å)
C1	0.424	0.624	0.000
C2	-0.424	-0.624	0.000
F3	-0.424	1.717	0.000
F4	0.424	-1.717	0.000
H5	1.049	0.668	0.890
H6	1.049	0.668	-0.890
H7	-1.049	-0.668	0.890
H8	-1.049	-0.668	-0.890

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5096	1.3837	2.3413	1.0880	1.0880	2.1526	2.1526
C2	1.5096		2.3413	1.3837	2.1526	2.1526	1.0880	1.0880
F3	1.3837	2.3413		3.5376	2.0156	2.0156	2.6216	2.6216
F4	2.3413	1.3837	3.5376		2.6216	2.6216	2.0156	2.0156
H5	1.0880	2.1526	2.0156	2.6216		1.7792	2.4881	3.0588
H6	1.0880	2.1526	2.0156	2.6216	1.7792		3.0588	2.4881
H7	2.1526	1.0880	2.6216	2.0156	2.4881	3.0588		1.7792
H8	2.1526	1.0880	2.6216	2.0156	3.0588	2.4881	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.961	C1	C2	H7	110.884
C1	C2	H8	110.884	C2	C1	F3	107.961
C2	C1	H5	110.884	C2	C1	H6	110.884
F3	C1	H5	108.674	F3	C1	H6	108.674
F4	C2	H7	108.674	F4	C2	H8	108.674
H5	C1	H6	109.694	H7	C2	H8	109.694

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/aug-cc-pVQZ

States and conformations

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