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	hartrees
Energy at 0K	-2649.870662
Energy at 298.15K	-2649.876220
HF Energy	-2649.870662
Nuclear repulsion energy	145.197193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3138	2.48
2	A'	3216	3104	3.79
3	A'	3157	3047	0.13
4	A'	1669	1611	40.73
5	A'	1411	1361	7.31
6	A'	1288	1243	22.81
7	A'	1026	990	9.19
8	A'	626	604	22.64
9	A'	349	337	0.04
10	A"	987	953	27.86
11	A"	934	901	20.16
12	A"	611	589	10.75

Atom	x (Å)	y (Å)
C1	0.455	-1.099
C2	-0.440	-2.074
Br3	0.000	0.723
H4	1.525	-1.263
H5	-0.112	-3.108
H6	-1.507	-1.885

	C1	C2	Br3	H4	H5	H6
C1		1.3240	1.8772	1.0825	2.0882	2.1140
C2	1.3240		2.8309	2.1260	1.0852	1.0834
Br3	1.8772	2.8309		2.5039	3.8325	3.0117
H4	1.0825	2.1260	2.5039		2.4667	3.0953
H5	2.0882	1.0852	3.8325	2.4667		1.8554
H6	2.1140	1.0834	3.0117	3.0953	1.8554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.842	C1	C2	H6	122.518
C2	C1	Br3	123.407	C2	C1	H4	123.812
Br3	C1	H4	112.781	H5	C2	H6	117.639

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

using model chemistry: B3LYP/6-31G(2df,p)

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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