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	hartrees
Energy at 0K	-78.566524
Energy at 298.15K	-78.569699
HF Energy	-78.566524
Nuclear repulsion energy	33.577831

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	3167	3167	0.00	217.57	0.10	0.18
2	A_g	1706	1706	0.00	35.75	0.01	0.02
3	A_g	1383	1383	0.00	39.54	0.22	0.35
4	A_u	1070	1070	0.00	0.00	0.00	0.00
5	B_1u	3151	3151	15.57	0.00	0.00	0.00
6	B_1u	1472	1472	10.08	0.00	0.00	0.00
7	B_2g	989	989	0.00	2.73	0.75	0.86
8	B_2u	3254	3254	19.39	0.00	0.00	0.00
9	B_2u	826	826	0.06	0.00	0.00	0.00
10	B_3g	3226	3226	0.00	121.10	0.75	0.86
11	B_3g	1241	1241	0.00	0.10	0.75	0.86
12	B_3u	983	983	96.04	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.660
C2	0.000	-0.660
H3	0.920	1.227
H4	-0.920	1.227
H5	-0.920	-1.227
H6	0.920	-1.227

	C1	C2	H3	H4	H5	H6
C1		1.3205	1.0807	1.0807	2.0999	2.0999
C2	1.3205		2.0999	2.0999	1.0807	1.0807
H3	1.0807	2.0999		1.8397	3.0678	2.4550
H4	1.0807	2.0999	1.8397		2.4550	3.0678
H5	2.0999	1.0807	3.0678	2.4550		1.8397
H6	2.0999	1.0807	2.4550	3.0678	1.8397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.660	C1	C2	H6	121.660
C2	C1	H3	121.660	C2	C1	H4	121.660
H3	C1	H4	116.681	H5	C2	H6	116.681

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B1B95/daug-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	-1.325
2	C	-1.325
3	H	0.663
4	H	0.663
5	H	0.663
6	H	0.663

<r²>	23.004
(<r²>)^1/2	4.796

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)