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	hartrees
Energy at 0K	-78.466064
Energy at 298.15K	-78.469187
HF Energy	-78.466064
Nuclear repulsion energy	33.112519

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	3100	3049	0.00	189.52	0.12	0.22
2	A_g	1671	1643	0.00	5.70	0.06	0.11
3	A_g	1358	1335	0.00	33.10	0.44	0.61
4	A_u	1040	1023	0.00	0.00	0.00	0.00
5	B_1u	3084	3034	18.24	0.00	0.00	0.00
6	B_1u	1444	1420	5.60	0.00	0.00	0.00
7	B_2g	907	892	0.00	0.30	0.75	0.86
8	B_2u	3183	3130	30.16	0.00	0.00	0.00
9	B_2u	807	794	1.32	0.00	0.00	0.00
10	B_3g	3157	3105	0.00	123.02	0.75	0.86
11	B_3g	1207	1187	0.00	1.73	0.75	0.86
12	B_3u	937	921	86.67	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
H3	0.931	1.248
H4	-0.931	1.248
H5	-0.931	-1.248
H6	0.931	-1.248

	C1	C2	H3	H4	H5	H6
C1		1.3390	1.0955	1.0955	2.1310	2.1310
C2	1.3390		2.1310	2.1310	1.0955	1.0955
H3	1.0955	2.1310		1.8613	3.1129	2.4951
H4	1.0955	2.1310	1.8613		2.4951	3.1129
H5	2.1310	1.0955	3.1129	2.4951		1.8613
H6	2.1310	1.0955	2.4951	3.1129	1.8613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.847	C1	C2	H6	121.847
C2	C1	H3	121.847	C2	C1	H4	121.847
H3	C1	H4	116.307	H5	C2	H6	116.307

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.305
2	C	-0.305
3	H	0.153
4	H	0.153
5	H	0.153
6	H	0.153

<r²>	23.206
(<r²>)^1/2	4.817

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)