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	hartrees
Energy at 0K	-277.167583
Energy at 298.15K
HF Energy	-277.167583
Nuclear repulsion energy	110.999933

Atom	x (Å)	y (Å)
C1	-0.330	0.573
C2	0.330	-0.573
F3	0.330	1.742
F4	-0.330	-1.742
H5	-1.406	0.667
H6	1.406	-0.667

	C1	C2	F3	F4	H5	H6
C1		1.3217	1.3428	2.3149	1.0804	2.1333
C2	1.3217		2.3149	1.3428	2.1333	1.0804
F3	1.3428	2.3149		3.5464	2.0418	2.6390
F4	2.3149	1.3428	3.5464		2.6390	2.0418
H5	1.0804	2.1333	2.0418	2.6390		3.1129
H6	2.1333	1.0804	2.6390	2.0418	3.1129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.634	C1	C2	H6	124.970
C2	C1	F3	120.634	C2	C1	H5	124.970
F3	C1	H5	114.396	F4	C2	H6	114.396

Number	Element	Mulliken
1	C	-0.133
2	C	-0.133
3	F	-0.396
4	F	-0.396
5	H	0.529
6	H	0.529

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (E)-)

using model chemistry: B3LYPultrafine/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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<r²>	80.792
(<r²>)^1/2	8.988

All results from a given calculation for C2H2F2 (Ethene, 1,2-difluoro-, (E)-)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (E)-)