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	hartrees
Energy at 0K	-78.595230
Energy at 298.15K	-78.598412
HF Energy	-78.595230
Nuclear repulsion energy	33.527249

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	3164	3031	0.00	213.28	0.10	0.18
2	A_g	1704	1632	0.00	34.98	0.01	0.02
3	A_g	1384	1326	0.00	39.79	0.22	0.36
4	A_u	1064	1019	0.00	0.00	0.00	0.00
5	B_1u	3148	3016	14.74	0.00	0.00	0.00
6	B_1u	1473	1412	11.17	0.00	0.00	0.00
7	B_2g	989	948	0.00	3.09	0.75	0.86
8	B_2u	3251	3115	17.43	0.00	0.00	0.00
9	B_2u	828	794	0.10	0.00	0.00	0.00
10	B_3g	3223	3088	0.00	119.08	0.75	0.86
11	B_3g	1243	1191	0.00	0.10	0.75	0.86
12	B_3u	983	942	99.34	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.661
C2	0.000	-0.661
H3	0.921	1.229
H4	-0.921	1.229
H5	-0.921	-1.229
H6	0.921	-1.229

	C1	C2	H3	H4	H5	H6
C1		1.3223	1.0825	1.0825	2.1031	2.1031
C2	1.3223		2.1031	2.1031	1.0825	1.0825
H3	1.0825	2.1031		1.8427	3.0727	2.4588
H4	1.0825	2.1031	1.8427		2.4588	3.0727
H5	2.1031	1.0825	3.0727	2.4588		1.8427
H6	2.1031	1.0825	2.4588	3.0727	1.8427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.665	C1	C2	H6	121.665
C2	C1	H3	121.665	C2	C1	H4	121.665
H3	C1	H4	116.670	H5	C2	H6	116.670

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	-0.616
2	C	-0.616
3	H	0.308
4	H	0.308
5	H	0.308
6	H	0.308

<r²>	23.041
(<r²>)^1/2	4.800

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)