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	hartrees
Energy at 0K	-77.403164
Energy at 298.15K	-77.404790
HF Energy	-77.403164
Nuclear repulsion energy	28.643783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3378	3083	1.17
2	A'	3337	3045	8.76
3	A'	3250	2966	5.70
4	A'	1779	1624	2.53
5	A'	1505	1374	7.96
6	A'	1198	1094	8.95
7	A'	826	754	13.63
8	A"	1052	960	75.14
9	A"	964	880	28.49

Atom	x (Å)	y (Å)
C1	0.051	0.719
C2	0.051	-0.583
H3	-0.707	1.478
H4	-0.872	-1.145
H5	0.968	-1.148

	C1	C2	H3	H4	H5
C1		1.3015	1.0726	2.0791	2.0794
C2	1.3015		2.1957	1.0801	1.0771
H3	1.0726	2.1957		2.6277	3.1142
H4	2.0791	1.0801	2.6277		1.8397
H5	2.0794	1.0771	3.1142	1.8397

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.334		C1	C2	H5	121.623
C2	C1	H3	135.065		H4	C2	H5	117.043

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	-0.147
2	C	-0.236
3	H	0.135
4	H	0.122
5	H	0.126

	x	y	z	Total
	-0.603	-0.232	0.000	0.646
CHELPG
AIM
ESP

<r²>	20.179
(<r²>)^1/2	4.492

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)