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	hartrees
Energy at 0K	-78.591205
Energy at 298.15K	-78.594370
HF Energy	-78.591205
Nuclear repulsion energy	33.208964

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	3143	3049	0.00	217.83	0.12	0.22
2	A_g	1695	1645	0.00	9.93	0.04	0.08
3	A_g	1366	1325	0.00	35.81	0.44	0.61
4	A_u	1057	1026	0.00	0.00	0.00	0.00
5	B_1u	3126	3032	15.70	0.00	0.00	0.00
6	B_1u	1445	1401	6.63	0.00	0.00	0.00
7	B_2g	959	931	0.00	1.00	0.75	0.86
8	B_2u	3236	3139	24.21	0.00	0.00	0.00
9	B_2u	826	801	0.61	0.00	0.00	0.00
10	B_3g	3208	3112	0.00	144.80	0.75	0.86
11	B_3g	1229	1192	0.00	1.24	0.75	0.86
12	B_3u	968	939	72.50	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.931	1.241
H4	-0.931	1.241
H5	-0.931	-1.241
H6	0.931	-1.241

	C1	C2	H3	H4	H5	H6
C1		1.3335	1.0943	1.0943	2.1233	2.1233
C2	1.3335		2.1233	2.1233	1.0943	1.0943
H3	1.0943	2.1233		1.8625	3.1037	2.4828
H4	1.0943	2.1233	1.8625		2.4828	3.1037
H5	2.1233	1.0943	3.1037	2.4828		1.8625
H6	2.1233	1.0943	2.4828	3.1037	1.8625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.678	C1	C2	H6	121.678
C2	C1	H3	121.678	C2	C1	H4	121.678
H3	C1	H4	116.644	H5	C2	H6	116.644

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3LYPultrafine/cc-pVDZ

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	-0.044
2	C	-0.044
3	H	0.022
4	H	0.022
5	H	0.022
6	H	0.022

<r²>	23.251
(<r²>)^1/2	4.822

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)