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	hartrees
Energy at 0K	-77.863439
Energy at 298.15K	-77.864876
HF Energy	-77.863439
Nuclear repulsion energy	28.080547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3156	1.85
2	A'	3057	3062	5.43
3	A'	2947	2951	6.58
4	A'	1607	1610	1.31
5	A'	1325	1327	7.50
6	A'	1007	1009	10.45
7	A'	677	679	24.69
8	A"	870	871	61.03
9	A"	757	758	8.27

Atom	x (Å)	y (Å)
C1	0.049	0.728
C2	0.049	-0.592
H3	-0.681	1.547
H4	-0.894	-1.180
H5	0.982	-1.184

	C1	C2	H3	H4	H5
C1		1.3202	1.0979	2.1286	2.1274
C2	1.3202		2.2609	1.1118	1.1047
H3	1.0979	2.2609		2.7354	3.1981
H4	2.1286	1.1118	2.7354		1.8767
H5	2.1274	1.1047	3.1981	1.8767

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.908		C1	C2	H5	122.382
C2	C1	H3	138.260		H4	C2	H5	115.710

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/cc-pVDZ

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	-0.094
2	C	0.004
3	H	0.028
4	H	0.030
5	H	0.032

	x	y	z	Total
	-0.554	-0.282	0.000	0.621
CHELPG
AIM
ESP

	x	y	z
x	2.781	-0.246	-0.001
y	-0.246	4.804	-0.000
z	-0.001	-0.000	1.581

<r²>	20.648
(<r²>)^1/2	4.544

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)