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	hartrees
Energy at 0K	-78.594484
Energy at 298.15K	-78.597667
HF Energy	-78.594484
Nuclear repulsion energy	33.533284

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	3035	0.00	211.95	0.12	0.21
2	A_g	1707	1638	0.00	15.84	0.03	0.06
3	A_g	1385	1329	0.00	33.49	0.35	0.52
4	A_u	1074	1030	0.00	0.00	0.00	0.00
5	B_1u	3148	3020	15.52	0.00	0.00	0.00
6	B_1u	1473	1413	10.82	0.00	0.00	0.00
7	B_2g	989	949	0.00	2.22	0.75	0.86
8	B_2u	3252	3119	20.19	0.00	0.00	0.00
9	B_2u	830	796	0.31	0.00	0.00	0.00
10	B_3g	3224	3093	0.00	122.11	0.75	0.86
11	B_3g	1244	1193	0.00	0.40	0.75	0.86
12	B_3u	983	943	96.22	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		1.3218	1.0826	1.0826	2.1028	2.1028
C2	1.3218		2.1028	2.1028	1.0826	1.0826
H3	1.0826	2.1028		1.8425	3.0725	2.4588
H4	1.0826	2.1028	1.8425		2.4588	3.0725
H5	2.1028	1.0826	3.0725	2.4588		1.8425
H6	2.1028	1.0826	2.4588	3.0725	1.8425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.678	C1	C2	H6	121.678
C2	C1	H3	121.678	C2	C1	H4	121.678
H3	C1	H4	116.643	H5	C2	H6	116.643

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: mPW1PW91/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	-0.221
2	C	-0.221
3	H	0.110
4	H	0.110
5	H	0.110
6	H	0.110

<r²>	22.967
(<r²>)^1/2	4.792

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)