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	hartrees
Energy at 0K	-2648.852180
Energy at 298.15K	-2648.857658
Nuclear repulsion energy	144.969812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3163	0.09
2	A'	3145	3111	2.25
3	A'	3088	3054	1.11
4	A'	1647	1629	59.17
5	A'	1307	1293	7.76
6	A'	1203	1189	18.23
7	A'	959	949	14.97
8	A'	625	618	23.29
9	A'	340	336	0.06
10	A"	925	915	33.22
11	A"	860	850	28.11
12	A"	583	577	16.04

Atom	x (Å)	y (Å)
C1	0.457	-1.097
C2	-0.444	-2.074
Br3	0.000	0.722
H4	1.546	-1.258
H5	-0.101	-3.121
H6	-1.526	-1.871

	C1	C2	Br3	H4	H5	H6
C1		1.3294	1.8754	1.1011	2.1003	2.1288
C2	1.3294		2.8313	2.1509	1.1017	1.1007
Br3	1.8754	2.8313		2.5127	3.8447	3.0089
H4	1.1011	2.1509	2.5127		2.4871	3.1326
H5	2.1003	1.1017	3.8447	2.4871		1.8950
H6	2.1288	1.1007	3.0089	3.1326	1.8950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.225	C1	C2	H6	122.051
C2	C1	Br3	123.219	C2	C1	H4	124.225
Br3	C1	H4	112.556	H5	C2	H6	118.724

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

using model chemistry: LSDA/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	-0.189
2	C	-0.037
3	Br	-0.023
4	H	0.094
5	H	0.080
6	H	0.076

	x	y	z	Total
	0.248	-1.212	0.000	1.237
CHELPG
AIM
ESP

	x	y	z
x	4.917	0.504	0.000
y	0.504	8.549	0.000
z	0.000	0.000	2.694

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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