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	hartrees
Energy at 0K	-13.711489
Energy at 298.15K	-13.714639
HF Energy	-13.711489
Nuclear repulsion energy	19.409764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3141	3007	0.00
2	A_g	1679	1607	0.00
3	A_g	1365	1307	0.00
4	A_u	1054	1009	0.00
5	B_1u	3124	2991	23.52
6	B_1u	1460	1397	8.50
7	B_2g	936	896	0.00
8	B_2u	3236	3097	38.62
9	B_2u	819	784	1.25
10	B_3g	3208	3071	0.00
11	B_3g	1222	1170	0.00
12	B_3u	960	919	125.10

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
H3	0.928	1.242
H4	-0.928	1.242
H5	-0.928	-1.242
H6	0.928	-1.242

	C1	C2	H3	H4	H5	H6
C1		1.3392	1.0904	1.0904	2.1248	2.1248
C2	1.3392		2.1248	2.1248	1.0904	1.0904
H3	1.0904	2.1248		1.8565	3.1006	2.4835
H4	1.0904	2.1248	1.8565		2.4835	3.1006
H5	2.1248	1.0904	3.1006	2.4835		1.8565
H6	2.1248	1.0904	2.4835	3.1006	1.8565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.649	C1	C2	H6	121.649
C2	C1	H3	121.649	C2	C1	H4	121.649
H3	C1	H4	116.703	H5	C2	H6	116.703

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: B3PW91/CEP-121G*

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	-0.345
2	C	-0.345
3	H	0.173
4	H	0.173
5	H	0.173
6	H	0.173

<r²>	21.435
(<r²>)^1/2	4.630

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: B3PW91/CEP-121G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)