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	hartrees
Energy at 0K	-78.566320
Energy at 298.15K	-78.569510
HF Energy	-78.566320
Nuclear repulsion energy	33.252270

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	3154	3154	0.00	220.38	0.10	0.18
2	A_g	1690	1690	0.00	37.04	0.01	0.02
3	A_g	1370	1370	0.00	38.89	0.22	0.36
4	A_u	1079	1079	0.00	0.00	0.00	0.00
5	B_1u	3140	3140	16.92	0.00	0.00	0.00
6	B_1u	1455	1455	10.67	0.00	0.00	0.00
7	B_2g	1028	1028	0.00	2.41	0.75	0.86
8	B_2u	3253	3253	20.44	0.00	0.00	0.00
9	B_2u	823	823	0.12	0.00	0.00	0.00
10	B_3g	3226	3226	0.00	123.17	0.75	0.86
11	B_3g	1226	1226	0.00	0.05	0.75	0.86
12	B_3u	993	993	99.97	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.928	1.240
H4	-0.928	1.240
H5	-0.928	-1.240
H6	0.928	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3337	1.0910	1.0910	2.1206	2.1206
C2	1.3337		2.1206	2.1206	1.0910	1.0910
H3	1.0910	2.1206		1.8569	3.0977	2.4794
H4	1.0910	2.1206	1.8569		2.4794	3.0977
H5	2.1206	1.0910	3.0977	2.4794		1.8569
H6	2.1206	1.0910	2.4794	3.0977	1.8569

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	116.653	H5	C2	H6	116.653

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/daug-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	1.285
2	C	1.285
3	H	-0.643
4	H	-0.643
5	H	-0.643
6	H	-0.643

<r²>	23.320
(<r²>)^1/2	4.829

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)