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	hartrees
Energy at 0K	-77.397355
Energy at 298.15K	-77.398981
HF Energy	-77.397355
Nuclear repulsion energy	28.644870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	2902	3.22
2	A'	3352	2868	12.03
3	A'	3266	2795	8.99
4	A'	1786	1528	2.16
5	A'	1516	1297	6.76
6	A'	1214	1039	8.93
7	A'	836	716	13.79
8	A"	1048	896	82.27
9	A"	961	822	23.47

Atom	x (Å)	y (Å)
C1	0.051	0.719
C2	0.051	-0.582
H3	-0.712	1.473
H4	-0.870	-1.146
H5	0.967	-1.148

	C1	C2	H3	H4	H5
C1		1.3017	1.0726	2.0802	2.0802
C2	1.3017		2.1923	1.0797	1.0767
H3	1.0726	2.1923		2.6231	3.1129
H4	2.0802	1.0797	2.6231		1.8371
H5	2.0802	1.0767	3.1129	1.8371

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.450		C1	C2	H5	121.706
C2	C1	H3	134.613		H4	C2	H5	116.844

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROHF/6-311G*

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	-0.238
2	C	-0.470
3	H	0.244
4	H	0.229
5	H	0.235

	x	y	z	Total
	-0.619	-0.241	0.000	0.664
CHELPG
AIM
ESP

<r²>	20.194
(<r²>)^1/2	4.494

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROHF/6-311G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)