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	hartrees
Energy at 0K	-2637.319655
Energy at 298.15K	-2637.325225
HF Energy	-2637.075577
Nuclear repulsion energy	141.232932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3150	8.53
2	A'	3222	3133	0.85
3	A'	3149	3062	1.42
4	A'	1679	1633	26.92
5	A'	1489	1447	10.77
6	A'	1327	1290	29.98
7	A'	1081	1051	4.59
8	A'	591	575	11.33
9	A'	348	339	0.10
10	A"	1017	989	42.66
11	A"	992	964	35.60
12	A"	613	596	14.72

Atom	x (Å)	y (Å)
C1	0.463	-1.153
C2	-0.444	-2.129
Br3	0.000	0.746
H4	1.533	-1.327
H5	-0.135	-3.173
H6	-1.512	-1.928

	C1	C2	Br3	H4	H5	H6
C1		1.3320	1.9543	1.0842	2.1066	2.1212
C2	1.3320		2.9088	2.1329	1.0889	1.0870
Br3	1.9543	2.9088		2.5782	3.9212	3.0715
H4	1.0842	2.1329	2.5782		2.4875	3.1034
H5	2.1066	1.0889	3.9212	2.4875		1.8567
H6	2.1212	1.0870	3.0715	3.1034	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.636	C1	C2	H6	122.216
C2	C1	Br3	123.427	C2	C1	H4	123.626
Br3	C1	H4	112.947	H5	C2	H6	117.148

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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