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	hartrees
Energy at 0K	-78.540480
Energy at 298.15K	-78.543668
HF Energy	-78.429787
Nuclear repulsion energy	33.492505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3167	3167	0.00
2	A_g	1690	1690	0.00
3	A_g	1385	1385	0.00
4	A_u	1073	1073	0.00
5	B_1u	3153	3153	15.10
6	B_1u	1488	1488	9.06
7	B_2g	979	979	0.00
8	B_2u	3257	3257	21.07
9	B_2u	836	836	0.14
10	B_3g	3230	3230	0.00
11	B_3g	1253	1253	0.00
12	B_3u	984	984	93.14

Atom	y (Å)	z (Å)
C1	0.000	0.663
C2	0.000	-0.663
H3	0.921	1.229
H4	-0.921	1.229
H5	-0.921	-1.229
H6	0.921	-1.229

	C1	C2	H3	H4	H5	H6
C1		1.3269	1.0807	1.0807	2.1049	2.1049
C2	1.3269		2.1049	2.1049	1.0807	1.0807
H3	1.0807	2.1049		1.8411	3.0718	2.4590
H4	1.0807	2.1049	1.8411		2.4590	3.0718
H5	2.1049	1.0807	3.0718	2.4590		1.8411
H6	2.1049	1.0807	2.4590	3.0718	1.8411

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.585	C1	C2	H6	121.585
C2	C1	H3	121.585	C2	C1	H4	121.585
H3	C1	H4	116.829	H5	C2	H6	116.829

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B2PLYP/cc-pCVTZ

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	-0.223
2	C	-0.223
3	H	0.111
4	H	0.111
5	H	0.111
6	H	0.111

<r²>	23.113
(<r²>)^1/2	4.808

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B2PLYP/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)