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	hartrees
Energy at 0K	-277.052829
Energy at 298.15K	-277.055120
HF Energy	-277.052829
Nuclear repulsion energy	111.376816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3255	3106	0.00
2	A_g	1789	1708	0.00
3	A_g	1316	1256	0.00
4	A_g	1174	1121	0.00
5	A_g	563	537	0.00
6	A_u	924	881	76.97
7	A_u	345	329	5.21
8	B_g	823	785	0.00
9	B_u	3247	3099	15.87
10	B_u	1309	1249	30.55
11	B_u	1199	1144	308.68
12	B_u	317	303	12.97

Atom	x (Å)	y (Å)
C1	-0.329	0.572
C2	0.329	-0.572
F3	0.329	1.736
F4	-0.329	-1.736
H5	-1.406	0.667
H6	1.406	-0.667

	C1	C2	F3	F4	H5	H6
C1		1.3202	1.3367	2.3085	1.0818	2.1326
C2	1.3202		2.3085	1.3367	2.1326	1.0818
F3	1.3367	2.3085		3.5341	2.0380	2.6340
F4	2.3085	1.3367	3.5341		2.6340	2.0380
H5	1.0818	2.1326	2.0380	2.6340		3.1134
H6	2.1326	1.0818	2.6340	2.0380	3.1134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.654	C1	C2	H6	124.914
C2	C1	F3	120.654	C2	C1	H5	124.914
F3	C1	H5	114.431	F4	C2	H6	114.431

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

using model chemistry: mPW1PW91/6-311G*

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	-0.015
2	C	-0.015
3	F	-0.213
4	F	-0.213
5	H	0.228
6	H	0.228

	x	y	z
x	3.310	-0.525	0.000
y	-0.525	4.481	0.000
z	0.000	0.000	1.884

<r²>	80.097
(<r²>)^1/2	8.950

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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