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	hartrees
Energy at 0K	-78.624340
Energy at 298.15K	-78.627518
HF Energy	-78.624340
Nuclear repulsion energy	33.434667

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	3028	0.00	222.49	0.10	0.19
2	A_g	1687	1628	0.00	31.25	0.01	0.02
3	A_g	1384	1335	0.00	42.66	0.21	0.34
4	A_u	1064	1027	0.00	0.00	0.00	0.00
5	B_1u	3121	3013	18.89	0.00	0.00	0.00
6	B_1u	1484	1432	8.26	0.00	0.00	0.00
7	B_2g	975	941	0.00	2.88	0.75	0.86
8	B_2u	3221	3109	24.39	0.00	0.00	0.00
9	B_2u	823	794	0.03	0.00	0.00	0.00
10	B_3g	3192	3081	0.00	126.93	0.75	0.86
11	B_3g	1248	1205	0.00	0.07	0.75	0.86
12	B_3u	983	949	96.49	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	3.0805	2.4673
H4	1.0841	2.1095	1.8444		2.4673	3.0805
H5	2.1095	1.0841	3.0805	2.4673		1.8444
H6	2.1095	1.0841	2.4673	3.0805	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.720	C1	C2	H6	121.720
C2	C1	H3	121.720	C2	C1	H4	121.720
H3	C1	H4	116.560	H5	C2	H6	116.560

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: TPSSh/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	-0.397
2	C	-0.397
3	H	0.199
4	H	0.199
5	H	0.199
6	H	0.199

<r²>	23.158
(<r²>)^1/2	4.812

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)