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	hartrees
Energy at 0K	-78.540894
Energy at 298.15K	-78.544073
HF Energy	-78.431119
Nuclear repulsion energy	33.477881

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	3172	3172	0.00	212.88	0.13	0.23
2	A_g	1689	1689	0.00	14.39	0.01	0.02
3	A_g	1386	1386	0.00	35.57	0.29	0.45
4	A_u	1070	1070	0.00	0.00	0.00	0.00
5	B_1u	3156	3156	14.50	0.00	0.00	0.00
6	B_1u	1489	1489	9.27	0.00	0.00	0.00
7	B_2g	974	974	0.00	2.15	0.75	0.86
8	B_2u	3262	3262	19.44	0.00	0.00	0.00
9	B_2u	837	837	0.13	0.00	0.00	0.00
10	B_3g	3234	3234	0.00	113.97	0.75	0.86
11	B_3g	1253	1253	0.00	0.42	0.75	0.86
12	B_3u	984	984	98.37	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.664
C2	0.000	-0.664
H3	0.921	1.230
H4	-0.921	1.230
H5	-0.921	-1.230
H6	0.921	-1.230

	C1	C2	H3	H4	H5	H6
C1		1.3279	1.0808	1.0808	2.1058	2.1058
C2	1.3279		2.1058	2.1058	1.0808	1.0808
H3	1.0808	2.1058		1.8415	3.0727	2.4598
H4	1.0808	2.1058	1.8415		2.4598	3.0727
H5	2.1058	1.0808	3.0727	2.4598		1.8415
H6	2.1058	1.0808	2.4598	3.0727	1.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.577	C1	C2	H6	121.577
C2	C1	H3	121.577	C2	C1	H4	121.577
H3	C1	H4	116.845	H5	C2	H6	116.845

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B2PLYP/Def2TZVPP

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	-0.188
2	C	-0.188
3	H	0.094
4	H	0.094
5	H	0.094
6	H	0.094

<r²>	23.178
(<r²>)^1/2	4.814

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)