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	hartrees
Energy at 0K	-78.624412
Energy at 298.15K	-78.627584
HF Energy	-78.624412
Nuclear repulsion energy	33.434756

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	3137	3137	0.00	222.04	0.10	0.19
2	A_g	1687	1687	0.00	32.21	0.01	0.02
3	A_g	1383	1383	0.00	43.13	0.20	0.33
4	A_u	1068	1068	0.00	0.00	0.00	0.00
5	B_1u	3121	3121	18.85	0.00	0.00	0.00
6	B_1u	1483	1483	8.27	0.00	0.00	0.00
7	B_2g	974	974	0.00	2.85	0.75	0.86
8	B_2u	3221	3221	24.26	0.00	0.00	0.00
9	B_2u	823	823	0.03	0.00	0.00	0.00
10	B_3g	3192	3192	0.00	126.44	0.75	0.86
11	B_3g	1249	1249	0.00	0.07	0.75	0.86
12	B_3u	983	983	96.34	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.664
C2	0.000	-0.664
H3	0.922	1.234
H4	-0.922	1.234
H5	-0.922	-1.234
H6	0.922	-1.234

	C1	C2	H3	H4	H5	H6
C1		1.3272	1.0841	1.0841	2.1095	2.1095
C2	1.3272		2.1095	2.1095	1.0841	1.0841
H3	1.0841	2.1095		1.8444	3.0804	2.4672
H4	1.0841	2.1095	1.8444		2.4672	3.0804
H5	2.1095	1.0841	3.0804	2.4672		1.8444
H6	2.1095	1.0841	2.4672	3.0804	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.719	C1	C2	H6	121.719
C2	C1	H3	121.719	C2	C1	H4	121.719
H3	C1	H4	116.561	H5	C2	H6	116.561

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: TPSSh/daug-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	-0.664
2	C	-0.664
3	H	0.332
4	H	0.332
5	H	0.332
6	H	0.332

<r²>	23.157
(<r²>)^1/2	4.812

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)