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	hartrees
Energy at 0K	-78.563218
Energy at 298.15K	-78.566391
HF Energy	-78.563218
Nuclear repulsion energy	33.247424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3158	3158	0.00
2	A_g	1702	1702	0.00
3	A_g	1366	1366	0.00
4	A_u	1059	1059	0.00
5	B_1u	3139	3139	14.55
6	B_1u	1441	1441	8.45
7	B_2g	958	958	0.00
8	B_2u	3254	3254	18.83
9	B_2u	823	823	0.95
10	B_3g	3228	3228	0.00
11	B_3g	1224	1224	0.00
12	B_3u	966	966	81.76

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.931	1.240
H4	-0.931	1.240
H5	-0.931	-1.240
H6	0.931	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3313	1.0937	1.0937	2.1207	2.1207
C2	1.3313		2.1207	2.1207	1.0937	1.0937
H3	1.0937	2.1207		1.8616	3.1008	2.4798
H4	1.0937	2.1207	1.8616		2.4798	3.1008
H5	2.1207	1.0937	3.1008	2.4798		1.8616
H6	2.1207	1.0937	2.4798	3.1008	1.8616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.673	C1	C2	H6	121.673
C2	C1	H3	121.673	C2	C1	H4	121.673
H3	C1	H4	116.654	H5	C2	H6	116.654

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/cc-pCVDZ

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	-0.093
2	C	-0.093
3	H	0.046
4	H	0.046
5	H	0.046
6	H	0.046

<r²>	23.139
(<r²>)^1/2	4.810

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/cc-pCVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)