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	hartrees
Energy at 0K	-77.837714
Energy at 298.15K	-77.839273
HF Energy	-77.837714
Nuclear repulsion energy	28.352375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3289	1.26
2	A'	3223	3223	7.67
3	A'	3132	3132	2.11
4	A'	1691	1691	2.80
5	A'	1451	1451	6.50
6	A'	1105	1105	7.14
7	A'	760	760	19.87
8	A"	995	995	79.80
9	A"	894	894	30.30

Atom	x (Å)	y (Å)
C1	0.049	0.726
C2	0.049	-0.589
H3	-0.689	1.515
H4	-0.871	-1.175
H5	0.973	-1.161

	C1	C2	H3	H4	H5
C1		1.3145	1.0806	2.1116	2.1010
C2	1.3145		2.2296	1.0910	1.0869
H3	1.0806	2.2296		2.6962	3.1503
H4	2.1116	1.0910	2.6962		1.8442
H5	2.1010	1.0869	3.1503	1.8442

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.491		C1	C2	H5	121.782
C2	C1	H3	136.937		H4	C2	H5	115.727

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: M06-2X/6-31G

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	-0.116
2	C	-0.378
3	H	0.163
4	H	0.162
5	H	0.169

	x	y	z	Total
	-0.605	-0.224	0.000	0.645
CHELPG
AIM
ESP

	x	y	z
x	2.367	-0.255	0.000
y	-0.255	4.407	0.000
z	0.000	0.000	1.137

<r²>	20.313
(<r²>)^1/2	4.507

All results from a given calculation for C2H3 (vinyl)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)