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	hartrees
Energy at 0K	-78.602886
Energy at 298.15K	-78.606061
HF Energy	-78.602886
Nuclear repulsion energy	33.205651

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	3147	3045	0.00	229.50	0.11	0.19
2	A_g	1685	1630	0.00	32.93	0.01	0.02
3	A_g	1379	1334	0.00	41.52	0.23	0.37
4	A_u	1053	1019	0.00	0.00	0.00	0.00
5	B_1u	3131	3029	22.05	0.00	0.00	0.00
6	B_1u	1472	1424	7.61	0.00	0.00	0.00
7	B_2g	976	944	0.00	2.93	0.75	0.86
8	B_2u	3240	3134	30.33	0.00	0.00	0.00
9	B_2u	819	793	0.02	0.00	0.00	0.00
10	B_3g	3210	3105	0.00	130.45	0.75	0.86
11	B_3g	1236	1195	0.00	0.10	0.75	0.86
12	B_3u	989	957	97.92	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.668
C2	0.000	-0.668
H3	0.929	1.242
H4	-0.929	1.242
H5	-0.929	-1.242
H6	0.929	-1.242

	C1	C2	H3	H4	H5	H6
C1		1.3368	1.0913	1.0913	2.1239	2.1239
C2	1.3368		2.1239	2.1239	1.0913	1.0913
H3	1.0913	2.1239		1.8572	3.1011	2.4834
H4	1.0913	2.1239	1.8572		2.4834	3.1011
H5	2.1239	1.0913	3.1011	2.4834		1.8572
H6	2.1239	1.0913	2.4834	3.1011	1.8572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.692	C1	C2	H6	121.692
C2	C1	H3	121.692	C2	C1	H4	121.692
H3	C1	H4	116.616	H5	C2	H6	116.616

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: TPSSh/aug-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	0.668
2	C	0.668
3	H	-0.334
4	H	-0.334
5	H	-0.334
6	H	-0.334

<r²>	23.393
(<r²>)^1/2	4.837

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)