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	hartrees
Energy at 0K	-2648.026337
Energy at 298.15K	-2648.031927
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3124	1.57
2	A'	3268	3090	4.04
3	A'	3206	3031	0.04
4	A'	1685	1593	27.93
5	A'	1433	1355	7.65
6	A'	1312	1240	20.77
7	A'	1046	989	6.89
8	A'	651	615	16.20
9	A'	354	335	0.05
10	A"	1001	947	30.62
11	A"	953	901	19.21
12	A"	612	579	10.94

Atom	x (Å)	y (Å)
C1	0.462	-1.093
C2	-0.445	-2.063
Br3	0.000	0.719
H4	1.531	-1.257
H5	-0.126	-3.098
H6	-1.509	-1.864

	C1	C2	Br3	H4	H5	H6
C1		1.3279	1.8696	1.0812	2.0899	2.1169
C2	1.3279		2.8166	2.1340	1.0841	1.0824
Br3	1.8696	2.8166		2.4991	3.8192	2.9914
H4	1.0812	2.1340	2.4991		2.4772	3.1002
H5	2.0899	1.0841	3.8192	2.4772		1.8541
H6	2.1169	1.0824	2.9914	3.1002	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.761	C1	C2	H6	122.539
C2	C1	Br3	122.586	C2	C1	H4	124.390
Br3	C1	H4	113.024	H5	C2	H6	117.700

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

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

States and conformations

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