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	hartrees
Energy at 0K	-2646.440279
Energy at 298.15K	-2646.445763
Nuclear repulsion energy	145.310236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3143	0.52
2	A'	3162	3103	2.79
3	A'	3108	3050	0.51
4	A'	1662	1631	53.22
5	A'	1359	1334	7.45
6	A'	1233	1210	20.81
7	A'	984	965	13.89
8	A'	620	608	23.71
9	A'	345	338	0.05
10	A"	939	922	34.26
11	A"	872	855	35.39
12	A"	592	581	15.25

Atom	x (Å)	y (Å)
C1	0.460	-1.096
C2	-0.444	-2.066
Br3	0.000	0.720
H4	1.542	-1.261
H5	-0.120	-3.112
H6	-1.519	-1.859

	C1	C2	Br3	H4	H5	H6
C1		1.3263	1.8738	1.0938	2.0977	2.1214
C2	1.3263		2.8214	2.1430	1.0953	1.0944
Br3	1.8738	2.8214		2.5103	3.8342	2.9936
H4	1.0938	2.1430	2.5103		2.4874	3.1186
H5	2.0977	1.0953	3.8342	2.4874		1.8782
H6	2.1214	1.0944	2.9936	3.1186	1.8782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.751	C1	C2	H6	122.123
C2	C1	Br3	122.769	C2	C1	H4	124.347
Br3	C1	H4	112.884	H5	C2	H6	118.127

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

using model chemistry: LSDA/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	-0.134
2	C	-0.360
3	Br	-0.089
4	H	0.206
5	H	0.185
6	H	0.192

	x	y	z	Total
	0.257	-1.325	0.000	1.349
CHELPG
AIM
ESP

	x	y	z
x	4.983	0.528	0.000
y	0.528	8.356	0.000
z	0.000	0.000	2.865

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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