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	hartrees
Energy at 0K	-78.593545
Energy at 298.15K	-78.596721
HF Energy	-78.593545
Nuclear repulsion energy	33.500794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3145	0.00
2	A_g	1694	1694	0.00
3	A_g	1377	1377	0.00
4	A_u	1066	1066	0.00
5	B_1u	3131	3131	15.97
6	B_1u	1467	1467	10.54
7	B_2g	983	983	0.00
8	B_2u	3232	3232	19.60
9	B_2u	827	827	0.19
10	B_3g	3205	3205	0.00
11	B_3g	1237	1237	0.00
12	B_3u	976	976	94.25

Atom	y (Å)	z (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.922	1.231
H4	-0.922	1.231
H5	-0.922	-1.231
H6	0.922	-1.231

	C1	C2	H3	H4	H5	H6
C1		1.3232	1.0834	1.0834	2.1051	2.1051
C2	1.3232		2.1051	2.1051	1.0834	1.0834
H3	1.0834	2.1051		1.8434	3.0756	2.4619
H4	1.0834	2.1051	1.8434		2.4619	3.0756
H5	2.1051	1.0834	3.0756	2.4619		1.8434
H6	2.1051	1.0834	2.4619	3.0756	1.8434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.704	C1	C2	H6	121.704
C2	C1	H3	121.704	C2	C1	H4	121.704
H3	C1	H4	116.592	H5	C2	H6	116.592

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/cc-pVQZ

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	-0.251
2	C	-0.251
3	H	0.125
4	H	0.125
5	H	0.125
6	H	0.125

<r²>	23.025
(<r²>)^1/2	4.798

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)