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	hartrees
Energy at 0K	-2649.843428
Energy at 298.15K	-2649.849104
Nuclear repulsion energy	144.608098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3102	3.23
2	A'	3395	3082	5.50
3	A'	3313	3008	0.74
4	A'	1814	1647	40.97
5	A'	1502	1364	10.46
6	A'	1371	1245	36.12
7	A'	1097	996	9.09
8	A'	646	587	29.62
9	A'	372	338	0.12
10	A"	1070	971	58.37
11	A"	1059	961	8.74
12	A"	648	588	15.04

Atom	x (Å)	y (Å)
C1	0.456	-1.114
C2	-0.441	-2.077
Br3	0.000	0.726
H4	1.523	-1.280
H5	-0.113	-3.109
H6	-1.504	-1.881

	C1	C2	Br3	H4	H5	H6
C1		1.3153	1.8963	1.0796	2.0742	2.1047
C2	1.3153		2.8372	2.1191	1.0832	1.0813
Br3	1.8963	2.8372		2.5187	3.8368	3.0097
H4	1.0796	2.1191	2.5187		2.4539	3.0861
H5	2.0742	1.0832	3.8368	2.4539		1.8558
H6	2.1047	1.0813	3.0097	3.0861	1.8558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.402	C1	C2	H6	122.549
C2	C1	Br3	123.096	C2	C1	H4	124.171
Br3	C1	H4	112.734	H5	C2	H6	118.049

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

using model chemistry: HF/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	-0.173
2	C	0.026
3	Br	-0.071
4	H	0.084
5	H	0.066
6	H	0.068

	x	y	z	Total
	0.238	-1.715	0.000	1.731
CHELPG
AIM
ESP

	x	y	z
x	4.746	0.671	0.000
y	0.671	8.183	0.000
z	0.000	0.000	2.651

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/cc-pVDZ

States and conformations

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