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	hartrees
Energy at 0K	-78.464416
Energy at 298.15K	-78.467616
HF Energy	-78.464416
Nuclear repulsion energy	33.312371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3197	3056	0.00	186.41	0.12	0.21
2	A_g	1727	1651	0.00	7.66	0.07	0.13
3	A_g	1421	1358	0.00	36.40	0.43	0.60
4	A_u	1079	1031	0.00	0.00	0.00	0.00
5	B_1u	3176	3036	15.32	0.00	0.00	0.00
6	B_1u	1516	1449	9.32	0.00	0.00	0.00
7	B_2g	1018	973	0.00	1.49	0.75	0.86
8	B_2u	3289	3144	33.48	0.00	0.00	0.00
9	B_2u	860	822	2.60	0.00	0.00	0.00
10	B_3g	3259	3116	0.00	119.77	0.75	0.86
11	B_3g	1271	1215	0.00	1.42	0.75	0.86
12	B_3u	1009	964	128.26	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.922	1.241
H4	-0.922	1.241
H5	-0.922	-1.241
H6	0.922	-1.241

	C1	C2	H3	H4	H5	H6
C1		1.3335	1.0864	1.0864	2.1190	2.1190
C2	1.3335		2.1190	2.1190	1.0864	1.0864
H3	1.0864	2.1190		1.8443	3.0924	2.4822
H4	1.0864	2.1190	1.8443		2.4822	3.0924
H5	2.1190	1.0864	3.0924	2.4822		1.8443
H6	2.1190	1.0864	2.4822	3.0924	1.8443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.915	C1	C2	H6	121.915
C2	C1	H3	121.915	C2	C1	H4	121.915
H3	C1	H4	116.170	H5	C2	H6	116.170

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBE1PBE/6-31G

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	-0.320
2	C	-0.320
3	H	0.160
4	H	0.160
5	H	0.160
6	H	0.160

<r²>	23.054
(<r²>)^1/2	4.801

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)