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	hartrees
Energy at 0K	-2637.322959
Energy at 298.15K	-2637.328515
HF Energy	-2637.075333
Nuclear repulsion energy	141.015553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3130	8.31
2	A'	3212	3113	1.15
3	A'	3138	3041	1.37
4	A'	1665	1614	25.06
5	A'	1480	1434	11.54
6	A'	1319	1279	33.35
7	A'	1077	1043	4.64
8	A'	584	566	13.41
9	A'	346	335	0.13
10	A"	1010	979	50.21
11	A"	985	954	26.71
12	A"	610	591	14.83

Atom	x (Å)	y (Å)
C1	0.464	-1.155
C2	-0.445	-2.132
Br3	0.000	0.747
H4	1.535	-1.328
H5	-0.136	-3.176
H6	-1.513	-1.929

	C1	C2	Br3	H4	H5	H6
C1		1.3342	1.9580	1.0847	2.1085	2.1235
C2	1.3342		2.9130	2.1370	1.0894	1.0875
Br3	1.9580	2.9130		2.5809	3.9259	3.0743
H4	1.0847	2.1370	2.5809		2.4921	3.1071
H5	2.1085	1.0894	3.9259	2.4921		1.8583
H6	2.1235	1.0875	3.0743	3.1071	1.8583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.578	C1	C2	H6	122.202
C2	C1	Br3	123.338	C2	C1	H4	123.798
Br3	C1	H4	112.864	H5	C2	H6	117.220

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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