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	hartrees
Energy at 0K	-13.695531
Energy at 298.15K	-13.698689
HF Energy	-13.695531
Nuclear repulsion energy	19.440540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3162	3004	0.00
2	A_g	1692	1607	0.00
3	A_g	1374	1305	0.00
4	A_u	1061	1008	0.00
5	B_1u	3145	2988	22.45
6	B_1u	1468	1394	8.93
7	B_2g	947	900	0.00
8	B_2u	3258	3095	36.63
9	B_2u	823	782	1.26
10	B_3g	3231	3069	0.00
11	B_3g	1229	1167	0.00
12	B_3u	969	920	125.22

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
H3	0.927	1.240
H4	-0.927	1.240
H5	-0.927	-1.240
H6	0.927	-1.240

	C1	C2	H3	H4	H5	H6
C1		1.3371	1.0887	1.0887	2.1213	2.1213
C2	1.3371		2.1213	2.1213	1.0887	1.0887
H3	1.0887	2.1213		1.8539	3.0956	2.4791
H4	1.0887	2.1213	1.8539		2.4791	3.0956
H5	2.1213	1.0887	3.0956	2.4791		1.8539
H6	2.1213	1.0887	2.4791	3.0956	1.8539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.633	C1	C2	H6	121.633
C2	C1	H3	121.633	C2	C1	H4	121.633
H3	C1	H4	116.733	H5	C2	H6	116.733

All results from a given calculation for C₂H₄ (Ethylene)

using model chemistry: mPW1PW91/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	-0.347
2	C	-0.347
3	H	0.173
4	H	0.173
5	H	0.173
6	H	0.173

<r²>	21.390
(<r²>)^1/2	4.625

All results from a given calculation for C2H4 (Ethylene)

using model chemistry: mPW1PW91/CEP-121G*

States and conformations

All results from a given calculation for C₂H₄ (Ethylene)