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	hartrees
Energy at 0K	-78.491237
Energy at 298.15K	-78.494428
HF Energy	-78.491237
Nuclear repulsion energy	33.273619

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	3168	3168	0.00	220.47	0.10	0.18
2	A_g	1700	1700	0.00	39.61	0.01	0.02
3	A_g	1373	1373	0.00	38.65	0.22	0.36
4	A_u	1080	1080	0.00	0.00	0.00	0.00
5	B_1u	3154	3154	14.81	0.00	0.00	0.00
6	B_1u	1455	1455	11.23	0.00	0.00	0.00
7	B_2g	1027	1027	0.00	2.38	0.75	0.86
8	B_2u	3268	3268	17.91	0.00	0.00	0.00
9	B_2u	822	822	0.12	0.00	0.00	0.00
10	B_3g	3241	3241	0.00	122.44	0.75	0.86
11	B_3g	1228	1228	0.00	0.07	0.75	0.86
12	B_3u	995	995	101.22	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.929	1.238
H4	-0.929	1.238
H5	-0.929	-1.238
H6	0.929	-1.238

	C1	C2	H3	H4	H5	H6
C1		1.3325	1.0907	1.0907	2.1189	2.1189
C2	1.3325		2.1189	2.1189	1.0907	1.0907
H3	1.0907	2.1189		1.8573	3.0956	2.4766
H4	1.0907	2.1189	1.8573		2.4766	3.0956
H5	2.1189	1.0907	3.0956	2.4766		1.8573
H6	2.1189	1.0907	2.4766	3.0956	1.8573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.632	C1	C2	H6	121.632
C2	C1	H3	121.632	C2	C1	H4	121.632
H3	C1	H4	116.736	H5	C2	H6	116.736

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBE1PBE/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	1.218
2	C	1.218
3	H	-0.609
4	H	-0.609
5	H	-0.609
6	H	-0.609

<r²>	23.324
(<r²>)^1/2	4.829

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBE1PBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)