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	hartrees
Energy at 0K	-78.594637
Energy at 298.15K	-78.597827
HF Energy	-78.594637
Nuclear repulsion energy	33.545362

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	3162	3162	0.00	210.37	0.10	0.18
2	A_g	1712	1712	0.00	37.85	0.01	0.02
3	A_g	1390	1390	0.00	40.63	0.21	0.35
4	A_u	1071	1071	0.00	0.00	0.00	0.00
5	B_1u	3144	3144	15.23	0.00	0.00	0.00
6	B_1u	1479	1479	11.93	0.00	0.00	0.00
7	B_2g	1004	1004	0.00	3.42	0.75	0.86
8	B_2u	3249	3249	18.64	0.00	0.00	0.00
9	B_2u	842	842	0.05	0.00	0.00	0.00
10	B_3g	3223	3223	0.00	116.58	0.75	0.86
11	B_3g	1251	1251	0.00	0.11	0.75	0.86
12	B_3u	989	989	102.43	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.661
C2	0.000	-0.661
H3	0.922	1.228
H4	-0.922	1.228
H5	-0.922	-1.228
H6	0.922	-1.228

	C1	C2	H3	H4	H5	H6
C1		1.3214	1.0822	1.0822	2.1015	2.1015
C2	1.3214		2.1015	2.1015	1.0822	1.0822
H3	1.0822	2.1015		1.8433	3.0707	2.4560
H4	1.0822	2.1015	1.8433		2.4560	3.0707
H5	2.1015	1.0822	3.0707	2.4560		1.8433
H6	2.1015	1.0822	2.4560	3.0707	1.8433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.614	C1	C2	H6	121.614
C2	C1	H3	121.614	C2	C1	H4	121.614
H3	C1	H4	116.771	H5	C2	H6	116.771

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	-0.458
2	C	-0.458
3	H	0.229
4	H	0.229
5	H	0.229
6	H	0.229

<r²>	23.006
(<r²>)^1/2	4.796

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)