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	hartrees
Energy at 0K	-78.599053
Energy at 298.15K	-78.602252
HF Energy	-78.599053
Nuclear repulsion energy	33.238060

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	3143	0.00	227.92	0.11	0.19
2	A_g	1682	1682	0.00	36.46	0.01	0.02
3	A_g	1371	1371	0.00	42.20	0.21	0.35
4	A_u	1092	1092	0.00	0.00	0.00	0.00
5	B_1u	3132	3132	17.18	0.00	0.00	0.00
6	B_1u	1461	1461	9.85	0.00	0.00	0.00
7	B_2g	1053	1053	0.00	2.48	0.75	0.86
8	B_2u	3240	3240	21.76	0.00	0.00	0.00
9	B_2u	827	827	0.07	0.00	0.00	0.00
10	B_3g	3215	3215	0.00	128.37	0.75	0.86
11	B_3g	1232	1232	0.00	0.01	0.75	0.86
12	B_3u	1002	1002	98.71	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.668
C2	0.000	-0.668
H3	0.928	1.240
H4	-0.928	1.240
H5	-0.928	-1.240
H6	0.928	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3352	1.0905	1.0905	2.1217	2.1217
C2	1.3352		2.1217	2.1217	1.0905	1.0905
H3	1.0905	2.1217		1.8558	3.0982	2.4809
H4	1.0905	2.1217	1.8558		2.4809	3.0982
H5	2.1217	1.0905	3.0982	2.4809		1.8558
H6	2.1217	1.0905	2.4809	3.0982	1.8558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.689	C1	C2	H6	121.689
C2	C1	H3	121.689	C2	C1	H4	121.689
H3	C1	H4	116.621	H5	C2	H6	116.621

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3LYPultrafine/daug-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	1.657
2	C	1.657
3	H	-0.829
4	H	-0.829
5	H	-0.829
6	H	-0.829

<r²>	23.462
(<r²>)^1/2	4.844

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)