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	hartrees
Energy at 0K	-78.477987
Energy at 298.15K	-78.481123
HF Energy	-78.477987
Nuclear repulsion energy	33.023382

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	3083	3064	0.00	240.17	0.10	0.18
2	A_g	1638	1628	0.00	31.52	0.01	0.03
3	A_g	1331	1323	0.00	36.50	0.26	0.41
4	A_u	1018	1012	0.00	0.00	0.00	0.00
5	B_1u	3069	3050	16.70	0.00	0.00	0.00
6	B_1u	1407	1399	9.09	0.00	0.00	0.00
7	B_2g	939	934	0.00	2.19	0.75	0.86
8	B_2u	3179	3160	21.57	0.00	0.00	0.00
9	B_2u	797	792	0.12	0.00	0.00	0.00
10	B_3g	3151	3132	0.00	131.31	0.75	0.86
11	B_3g	1186	1179	0.00	0.05	0.75	0.86
12	B_3u	946	940	96.13	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.671
C2	0.000	-0.671
H3	0.935	1.248
H4	-0.935	1.248
H5	-0.935	-1.248
H6	0.935	-1.248

	C1	C2	H3	H4	H5	H6
C1		1.3425	1.0990	1.0990	2.1353	2.1353
C2	1.3425		2.1353	2.1353	1.0990	1.0990
H3	1.0990	2.1353		1.8704	3.1197	2.4968
H4	1.0990	2.1353	1.8704		2.4968	3.1197
H5	2.1353	1.0990	3.1197	2.4968		1.8704
H6	2.1353	1.0990	2.4968	3.1197	1.8704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.681	C1	C2	H6	121.681
C2	C1	H3	121.681	C2	C1	H4	121.681
H3	C1	H4	116.638	H5	C2	H6	116.638

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBEultrafine/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	0.817
2	C	0.817
3	H	-0.409
4	H	-0.409
5	H	-0.409
6	H	-0.409

<r²>	23.655
(<r²>)^1/2	4.864

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)