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	hartrees
Energy at 0K	-78.500493
Energy at 298.15K	-78.503632
HF Energy	-78.500493
Nuclear repulsion energy	33.257551

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	3072	3052	0.00	236.26	0.10	0.18
2	A_g	1639	1629	0.00	29.81	0.01	0.02
3	A_g	1338	1330	0.00	37.98	0.22	0.36
4	A_u	1031	1025	0.00	0.00	0.00	0.00
5	B_1u	3058	3039	16.98	0.00	0.00	0.00
6	B_1u	1423	1414	9.36	0.00	0.00	0.00
7	B_2g	935	929	0.00	2.14	0.75	0.86
8	B_2u	3157	3137	19.73	0.00	0.00	0.00
9	B_2u	802	796	0.14	0.00	0.00	0.00
10	B_3g	3129	3109	0.00	130.80	0.75	0.86
11	B_3g	1199	1191	0.00	0.03	0.75	0.86
12	B_3u	939	933	93.99	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.928	1.240
H4	-0.928	1.240
H5	-0.928	-1.240
H6	0.928	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3330	1.0912	1.0912	2.1205	2.1205
C2	1.3330		2.1205	2.1205	1.0912	1.0912
H3	1.0912	2.1205		1.8568	3.0980	2.4800
H4	1.0912	2.1205	1.8568		2.4800	3.0980
H5	2.1205	1.0912	3.0980	2.4800		1.8568
H6	2.1205	1.0912	2.4800	3.0980	1.8568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.705	C1	C2	H6	121.705
C2	C1	H3	121.705	C2	C1	H4	121.705
H3	C1	H4	116.590	H5	C2	H6	116.590

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	-0.626
2	C	-0.626
3	H	0.313
4	H	0.313
5	H	0.313
6	H	0.313

<r²>	23.409
(<r²>)^1/2	4.838

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)