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	hartrees
Energy at 0K	-77.887045
Energy at 298.15K	-77.888553
HF Energy	-77.887045
Nuclear repulsion energy	28.393828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3135	0.92
2	A'	3209	3055	2.82
3	A'	3105	2956	4.02
4	A'	1673	1592	2.49
5	A'	1399	1332	7.50
6	A'	1060	1009	7.30
7	A'	723	688	23.22
8	A"	932	887	96.17
9	A"	835	794	17.35

Atom	x (Å)	y (Å)
C1	0.049	0.722
C2	0.049	-0.588
H3	-0.675	1.525
H4	-0.881	-1.163
H5	0.971	-1.165

	C1	C2	H3	H4	H5
C1		1.3105	1.0807	2.1017	2.1001
C2	1.3105		2.2334	1.0929	1.0875
H3	1.0807	2.2334		2.6951	3.1531
H4	2.1017	1.0929	2.6951		1.8521
H5	2.1001	1.0875	3.1531	1.8521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.701		C1	C2	H5	122.003
C2	C1	H3	137.942		H4	C2	H5	116.296

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: mPW1PW91/6-31+G**

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	-0.178
2	C	-0.344
3	H	0.173
4	H	0.171
5	H	0.178

	x	y	z	Total
	-0.694	-0.324	0.000	0.766
CHELPG
AIM
ESP

	x	y	z
x	2.741	-0.081	-0.001
y	-0.081	5.020	0.001
z	-0.001	0.001	2.400

<r²>	20.491
(<r²>)^1/2	4.527

All results from a given calculation for C2H3 (vinyl)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)