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	hartrees
Energy at 0K	-78.490781
Energy at 298.15K	-78.493956
HF Energy	-78.490781
Nuclear repulsion energy	33.263867

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	3050	0.00	219.83	0.10	0.18
2	A_g	1700	1635	0.00	37.09	0.02	0.03
3	A_g	1372	1320	0.00	37.59	0.25	0.40
4	A_u	1052	1012	0.00	0.00	0.00	0.00
5	B_1u	3155	3033	14.03	0.00	0.00	0.00
6	B_1u	1452	1396	11.32	0.00	0.00	0.00
7	B_2g	985	948	0.00	3.05	0.75	0.86
8	B_2u	3269	3144	18.19	0.00	0.00	0.00
9	B_2u	820	789	0.10	0.00	0.00	0.00
10	B_3g	3241	3117	0.00	120.91	0.75	0.86
11	B_3g	1225	1178	0.00	0.10	0.75	0.86
12	B_3u	984	946	102.14	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.929	1.239
H4	-0.929	1.239
H5	-0.929	-1.239
H6	0.929	-1.239

	C1	C2	H3	H4	H5	H6
C1		1.3326	1.0913	1.0913	2.1194	2.1194
C2	1.3326		2.1194	2.1194	1.0913	1.0913
H3	1.0913	2.1194		1.8585	3.0968	2.4772
H4	1.0913	2.1194	1.8585		2.4772	3.0968
H5	2.1194	1.0913	3.0968	2.4772		1.8585
H6	2.1194	1.0913	2.4772	3.0968	1.8585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.627	C1	C2	H6	121.627
C2	C1	H3	121.627	C2	C1	H4	121.627
H3	C1	H4	116.746	H5	C2	H6	116.746

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBE1PBE/aug-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	0.661
2	C	0.661
3	H	-0.331
4	H	-0.331
5	H	-0.331
6	H	-0.331

<r²>	23.333
(<r²>)^1/2	4.830

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)