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	hartrees
Energy at 0K	-13.683509
Energy at 298.15K	-13.686638
HF Energy	-13.683509
Nuclear repulsion energy	19.227381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3195	3035	0.00
2	A_g	1725	1639	0.00
3	A_g	1367	1299	0.00
4	A_u	1041	989	0.00
5	B_1u	3175	3016	24.41
6	B_1u	1449	1377	9.86
7	B_2g	925	879	0.00
8	B_2u	3288	3124	49.43
9	B_2u	798	758	2.14
10	B_3g	3245	3082	0.00
11	B_3g	1180	1121	0.00
12	B_3u	959	911	158.34

Atom	y (Å)	z (Å)
C1	0.000	0.681
C2	0.000	-0.681
H3	0.934	1.251
H4	-0.934	1.251
H5	-0.934	-1.251
H6	0.934	-1.251

	C1	C2	H3	H4	H5	H6
C1		1.3620	1.0943	1.0943	2.1460	2.1460
C2	1.3620		2.1460	2.1460	1.0943	1.0943
H3	1.0943	2.1460		1.8682	3.1226	2.5021
H4	1.0943	2.1460	1.8682		2.5021	3.1226
H5	2.1460	1.0943	3.1226	2.5021		1.8682
H6	2.1460	1.0943	2.5021	3.1226	1.8682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.394	C1	C2	H6	121.394
C2	C1	H3	121.394	C2	C1	H4	121.394
H3	C1	H4	117.212	H5	C2	H6	117.212

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: mPW1PW91/CEP-31G*

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	-0.394
2	C	-0.394
3	H	0.197
4	H	0.197
5	H	0.197
6	H	0.197

<r²>	21.558
(<r²>)^1/2	4.643

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: mPW1PW91/CEP-31G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)