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	hartrees
Energy at 0K	-78.573162
Energy at 298.15K	-78.576340
HF Energy	-78.573162
Nuclear repulsion energy	33.289611

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	3176	3043	0.00	216.69	0.10	0.19
2	A_g	1702	1631	0.00	36.89	0.02	0.03
3	A_g	1377	1319	0.00	38.05	0.24	0.39
4	A_u	1055	1011	0.00	0.00	0.00	0.00
5	B_1u	3159	3027	15.58	0.00	0.00	0.00
6	B_1u	1459	1398	11.08	0.00	0.00	0.00
7	B_2g	989	947	0.00	3.26	0.75	0.86
8	B_2u	3273	3136	20.02	0.00	0.00	0.00
9	B_2u	824	790	0.09	0.00	0.00	0.00
10	B_3g	3245	3110	0.00	120.20	0.75	0.86
11	B_3g	1230	1179	0.00	0.12	0.75	0.86
12	B_3u	987	946	101.99	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.928	1.238
H4	-0.928	1.238
H5	-0.928	-1.238
H6	0.928	-1.238

	C1	C2	H3	H4	H5	H6
C1		1.3319	1.0901	1.0901	2.1180	2.1180
C2	1.3319		2.1180	2.1180	1.0901	1.0901
H3	1.0901	2.1180		1.8559	3.0942	2.4758
H4	1.0901	2.1180	1.8559		2.4758	3.0942
H5	2.1180	1.0901	3.0942	2.4758		1.8559
H6	2.1180	1.0901	2.4758	3.0942	1.8559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.647	C1	C2	H6	121.647
C2	C1	H3	121.647	C2	C1	H4	121.647
H3	C1	H4	116.706	H5	C2	H6	116.706

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: mPW1PW91/aug-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	0.643
2	C	0.643
3	H	-0.322
4	H	-0.322
5	H	-0.322
6	H	-0.322

<r²>	23.285
(<r²>)^1/2	4.825

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)