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	hartrees
Energy at 0K	-77.509055
Energy at 298.15K	-77.512144
HF Energy	-77.509055
Nuclear repulsion energy	32.993006

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	3347	3058	0.00	76.23	0.12	0.22
2	A_g	1796	1641	0.00	7.52	0.35	0.52
3	A_g	1448	1323	0.00	30.97	0.56	0.71
4	A_u	1128	1031	0.00	0.00	0.00	0.00
5	B_1u	3318	3031	13.63	0.00	0.00	0.00
6	B_1u	1563	1428	3.26	0.00	0.00	0.00
7	B_2g	968	885	0.00	0.07	0.75	0.86
8	B_2u	3488	3187	0.14	0.00	0.00	0.00
9	B_2u	858	783	1.69	0.00	0.00	0.00
10	B_3g	3469	3170	0.00	58.95	0.75	0.86
11	B_3g	1294	1182	0.00	3.34	0.75	0.86
12	B_3u	994	908	43.01	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
H3	0.935	1.254
H4	-0.935	1.254
H5	-0.935	-1.254
H6	0.935	-1.254

	C1	C2	H3	H4	H5	H6
C1		1.3403	1.1027	1.1027	2.1396	2.1396
C2	1.3403		2.1396	2.1396	1.1027	1.1027
H3	1.1027	2.1396		1.8705	3.1292	2.5086
H4	1.1027	2.1396	1.8705		2.5086	3.1292
H5	2.1396	1.1027	3.1292	2.5086		1.8705
H6	2.1396	1.1027	2.5086	3.1292	1.8705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.989	C1	C2	H6	121.989
C2	C1	H3	121.989	C2	C1	H4	121.989
H3	C1	H4	116.021	H5	C2	H6	116.021

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBE/STO-3G

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	-0.165
2	C	-0.165
3	H	0.083
4	H	0.083
5	H	0.083
6	H	0.083

<r²>	22.788
(<r²>)^1/2	4.774

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)