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	hartrees
Energy at 0K	-2652.109035
Energy at 298.15K	-2652.114579
Nuclear repulsion energy	144.380296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3129	2.01
2	A'	3219	3101	3.77
3	A'	3151	3035	0.10
4	A'	1667	1605	54.19
5	A'	1397	1346	9.41
6	A'	1279	1232	26.42
7	A'	1015	978	13.01
8	A'	614	592	26.26
9	A'	349	336	0.08
10	A"	976	940	43.65
11	A"	926	892	31.58
12	A"	600	578	18.67

Atom	x (Å)	y (Å)
C1	0.455	-1.112
C2	-0.441	-2.084
Br3	0.000	0.727
H4	1.526	-1.268
H5	-0.104	-3.116
H6	-1.508	-1.897

	C1	C2	Br3	H4	H5	H6
C1		1.3221	1.8951	1.0824	2.0806	2.1139
C2	1.3221		2.8462	2.1298	1.0854	1.0834
Br3	1.8951	2.8462		2.5122	3.8451	3.0265
H4	1.0824	2.1298	2.5122		2.4646	3.0986
H5	2.0806	1.0854	3.8451	2.4646		1.8596
H6	2.1139	1.0834	3.0265	3.0986	1.8596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.263	C1	C2	H6	122.682
C2	C1	Br3	123.443	C2	C1	H4	124.387
Br3	C1	H4	112.170	H5	C2	H6	118.055

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

using model chemistry: B3PW91/6-311G**

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	-0.255
2	C	-0.190
3	Br	-0.014
4	H	0.174
5	H	0.139
6	H	0.145

	x	y	z	Total
	0.227	-1.476	0.000	1.494
CHELPG
AIM
ESP

	x	y	z
x	4.869	0.582	0.000
y	0.582	8.654	0.000
z	0.000	0.000	2.924

<r²>	92.390
(<r²>)^1/2	9.612

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

using model chemistry: B3PW91/6-311G**

States and conformations

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