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	hartrees
Energy at 0K	-2623.024612
Energy at 298.15K	-2623.030088
Nuclear repulsion energy	143.694324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3164	0.88
2	A'	3436	3066	1.12
3	A'	3391	3026	32.48
4	A'	1795	1602	28.73
5	A'	1533	1368	10.49
6	A'	1391	1242	13.69
7	A'	1106	987	7.65
8	A'	697	622	15.00
9	A'	364	325	0.26
10	A"	1066	951	15.60
11	A"	972	867	17.89
12	A"	623	556	2.64

Atom	x (Å)	y (Å)
C1	0.452	-1.103
C2	-0.437	-2.102
Br3	0.000	0.732
H4	1.535	-1.302
H5	-0.102	-3.147
H6	-1.521	-1.932

	C1	C2	Br3	H4	H5	H6
C1		1.3381	1.8896	1.1006	2.1181	2.1400
C2	1.3381		2.8677	2.1283	1.0971	1.0965
Br3	1.8896	2.8677		2.5479	3.8802	3.0672
H4	1.1006	2.1283	2.5479		2.4666	3.1195
H5	2.1181	1.0971	3.8802	2.4666		1.8676
H6	2.1400	1.0965	3.0672	3.1195	1.8676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.545	C1	C2	H6	122.728
C2	C1	Br3	124.477	C2	C1	H4	121.247
Br3	C1	H4	114.276	H5	C2	H6	116.727

All results from a given calculation for C₂H₃Br (vinyl bromide)

using model chemistry: B3LYP/STO-3G

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	-0.141
2	C	-0.159
3	Br	0.034
4	H	0.094
5	H	0.086
6	H	0.086

	x	y	z	Total
	0.245	-0.911	0.000	0.944
CHELPG
AIM
ESP

	x	y	z
x	2.170	0.323	0.000
y	0.323	4.904	0.000
z	0.000	0.000	0.508

<r²>	92.112
(<r²>)^1/2	9.598

All results from a given calculation for C2H3Br (vinyl bromide)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₂H₃Br (vinyl bromide)