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	hartrees
Energy at 0K	-13.667986
Energy at 298.15K	-13.671140
HF Energy	-13.667986
Nuclear repulsion energy	19.421815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	3158	0.00
2	A_g	1689	1689	0.00
3	A_g	1370	1370	0.00
4	A_u	1058	1058	0.00
5	B_1u	3141	3141	20.29
6	B_1u	1461	1461	9.20
7	B_2g	944	944	0.00
8	B_2u	3255	3255	33.76
9	B_2u	819	819	1.32
10	B_3g	3228	3228	0.00
11	B_3g	1224	1224	0.00
12	B_3u	966	966	126.31

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
H3	0.928	1.240
H4	-0.928	1.240
H5	-0.928	-1.240
H6	0.928	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3378	1.0901	1.0901	2.1231	2.1231
C2	1.3378		2.1231	2.1231	1.0901	1.0901
H3	1.0901	2.1231		1.8565	3.0987	2.4810
H4	1.0901	2.1231	1.8565		2.4810	3.0987
H5	2.1231	1.0901	3.0987	2.4810		1.8565
H6	2.1231	1.0901	2.4810	3.0987	1.8565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.622	C1	C2	H6	121.622
C2	C1	H3	121.622	C2	C1	H4	121.622
H3	C1	H4	116.757	H5	C2	H6	116.757

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBE1PBE/CEP-121G*

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	-0.352
2	C	-0.352
3	H	0.176
4	H	0.176
5	H	0.176
6	H	0.176

<r²>	21.440
(<r²>)^1/2	4.630

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBE1PBE/CEP-121G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)