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	hartrees
Energy at 0K	-78.512090
Energy at 298.15K	-78.515262
HF Energy	-78.512090
Nuclear repulsion energy	33.492915

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	3158	3158	0.00	215.52	0.10	0.18
2	A_g	1701	1701	0.00	36.38	0.01	0.02
3	A_g	1379	1379	0.00	39.50	0.21	0.35
4	A_u	1067	1067	0.00	0.00	0.00	0.00
5	B_1u	3142	3142	14.07	0.00	0.00	0.00
6	B_1u	1466	1466	11.44	0.00	0.00	0.00
7	B_2g	986	986	0.00	2.92	0.75	0.86
8	B_2u	3246	3246	16.43	0.00	0.00	0.00
9	B_2u	825	825	0.12	0.00	0.00	0.00
10	B_3g	3218	3218	0.00	119.37	0.75	0.86
11	B_3g	1239	1239	0.00	0.08	0.75	0.86
12	B_3u	980	980	99.72	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.923	1.230
H4	-0.923	1.230
H5	-0.923	-1.230
H6	0.923	-1.230

	C1	C2	H3	H4	H5	H6
C1		1.3233	1.0840	1.0840	2.1051	2.1051
C2	1.3233		2.1051	2.1051	1.0840	1.0840
H3	1.0840	2.1051		1.8456	3.0760	2.4609
H4	1.0840	2.1051	1.8456		2.4609	3.0760
H5	2.1051	1.0840	3.0760	2.4609		1.8456
H6	2.1051	1.0840	2.4609	3.0760	1.8456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.649	C1	C2	H6	121.649
C2	C1	H3	121.649	C2	C1	H4	121.649
H3	C1	H4	116.703	H5	C2	H6	116.703

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBE1PBE/daug-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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Number	Element	Mulliken
1	C	-0.989
2	C	-0.989
3	H	0.494
4	H	0.494
5	H	0.494
6	H	0.494

<r²>	23.094
(<r²>)^1/2	4.806

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBE1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)