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	hartrees
Energy at 0K	-274.203601
Energy at 298.15K	-274.205866
Nuclear repulsion energy	110.111944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3148	3096	0.00
2	A_g	1770	1741	0.00
3	A_g	1302	1280	0.00
4	A_g	1166	1147	0.00
5	A_g	550	540	0.00
6	A_u	946	931	84.35
7	A_u	335	330	4.13
8	B_g	869	855	0.00
9	B_u	3147	3095	12.19
10	B_u	1301	1280	34.81
11	B_u	1228	1208	131.94
12	B_u	293	288	9.39

Atom	x (Å)	y (Å)
C1	-0.326	0.576
C2	0.326	-0.576
F3	0.326	1.764
F4	-0.326	-1.764
H5	-1.418	0.625
H6	1.418	-0.625

	C1	C2	F3	F4	H5	H6
C1		1.3236	1.3552	2.3400	1.0931	2.1177
C2	1.3236		2.3400	1.3552	2.1177	1.0931
F3	1.3552	2.3400		3.5879	2.0827	2.6272
F4	2.3400	1.3552	3.5879		2.6272	2.0827
H5	1.0931	2.1177	2.0827	2.6272		3.0995
H6	2.1177	1.0931	2.6272	2.0827	3.0995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.740	C1	C2	H6	122.102
C2	C1	F3	121.740	C2	C1	H5	122.102
F3	C1	H5	116.158	F4	C2	H6	116.158

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

using model chemistry: LSDA/3-21G

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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Number	Element	Mulliken
1	C	-0.003
2	C	-0.003
3	F	-0.224
4	F	-0.224
5	H	0.227
6	H	0.227

	x	y	z
x	3.061	-0.412	0.000
y	-0.412	4.252	0.000
z	0.000	0.000	1.055

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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