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	hartrees
Energy at 0K	-77.944650
Energy at 298.15K	-77.946157
HF Energy	-77.944650
Nuclear repulsion energy	28.475727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3229	0.82
2	A'	3142	3142	4.28
3	A'	3042	3042	5.99
4	A'	1639	1639	2.13
5	A'	1402	1402	7.28
6	A'	1060	1060	9.04
7	A'	716	716	20.63
8	A"	929	929	73.84
9	A"	828	828	12.07

Atom	x (Å)	y (Å)
C1	0.049	0.719
C2	0.049	-0.586
H3	-0.671	1.524
H4	-0.879	-1.161
H5	0.968	-1.164

	C1	C2	H3	H4	H5
C1		1.3050	1.0795	2.0969	2.0955
C2	1.3050		2.2290	1.0918	1.0860
H3	1.0795	2.2290		2.6930	3.1480
H4	2.0969	1.0918	2.6930		1.8471
H5	2.0955	1.0860	3.1480	1.8471

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.808		C1	C2	H5	122.163
C2	C1	H3	138.182		H4	C2	H5	116.030

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: TPSSh/cc-pVQZ

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	-0.257
2	C	-0.330
3	H	0.211
4	H	0.187
5	H	0.189

	x	y	z	Total
	-0.597	-0.305	0.000	0.671
CHELPG
AIM
ESP

	x	y	z
x	3.215	-0.119	0.000
y	-0.119	5.051	0.000
z	0.000	0.000	2.665

<r²>	20.357
(<r²>)^1/2	4.512

All results from a given calculation for C2H3 (vinyl)

using model chemistry: TPSSh/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)