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	hartrees
Energy at 0K	-277.804846
Energy at 298.15K
HF Energy	-277.040720
Nuclear repulsion energy	126.955550

Atom	x (Å)	y (Å)	z (Å)
C1	0.421	0.625	0.000
C2	-0.421	-0.625	0.000
F3	-0.421	1.705	0.000
F4	0.421	-1.705	0.000
H5	1.043	0.670	0.883
H6	1.043	0.670	-0.883
H7	-1.043	-0.670	0.883
H8	-1.043	-0.670	-0.883

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5065	1.3701	2.3300	1.0814	1.0814	2.1448	2.1448
C2	1.5065		2.3300	1.3701	2.1448	2.1448	1.0814	1.0814
F3	1.3701	2.3300		3.5132	1.9991	1.9991	2.6095	2.6095
F4	2.3300	1.3701	3.5132		2.6095	2.6095	1.9991	1.9991
H5	1.0814	2.1448	1.9991	2.6095		1.7669	2.4794	3.0446
H6	1.0814	2.1448	1.9991	2.6095	1.7669		3.0446	2.4794
H7	2.1448	1.0814	2.6095	1.9991	2.4794	3.0446		1.7669
H8	2.1448	1.0814	2.6095	1.9991	3.0446	2.4794	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.096	C1	C2	H7	110.873
C1	C2	H8	110.873	C2	C1	F3	108.096
C2	C1	H5	110.873	C2	C1	H6	110.873
F3	C1	H5	108.691	F3	C1	H6	108.691
F4	C2	H7	108.691	F4	C2	H8	108.691
H5	C1	H6	109.551	H7	C2	H8	109.551

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

using model chemistry: CID/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: CID/daug-cc-pVTZ

States and conformations

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