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	hartrees
Energy at 0K	-2803.483339
Energy at 298.15K	-2803.490922
Nuclear repulsion energy	430.239620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3078	4.83
2	A₁	3229	3069	8.22
3	A₁	3208	3048	0.16
4	A₁	1624	1543	22.70
5	A₁	1502	1427	35.20
6	A₁	1201	1141	0.03
7	A₁	1100	1045	19.99
8	A₁	1039	987	13.03
9	A₁	1001	951	13.62
10	A₁	681	647	14.52
11	A₁	323	307	0.85
12	A₂	899	854	0.00
13	A₂	816	775	0.00
14	A₂	388	369	0.00
15	B₁	894	850	0.02
16	B₁	853	811	0.22
17	B₁	715	680	86.28
18	B₁	431	410	6.68
19	B₁	328	312	0.05
20	B₁	163	155	0.53
21	B₂	3236	3075	6.16
22	B₂	3217	3056	6.65
23	B₂	1627	1546	2.02
24	B₂	1469	1396	7.58
25	B₂	1443	1371	0.39
26	B₂	1326	1260	0.64
27	B₂	1181	1122	0.10
28	B₂	1097	1042	3.58
29	B₂	616	585	0.24
30	B₂	251	239	0.02

Atom	y (Å)	z (Å)
Br1	0.000	1.805
C2	0.000	-0.093
C3	1.218	-0.779
C4	-1.218	-0.779
C5	1.209	-2.178
C6	-1.209	-2.178
C7	0.000	-2.880
H8	2.154	-0.229
H9	-2.154	-0.229
H10	2.153	-2.715
H11	-2.153	-2.715
H12	0.000	-3.966

	Br1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Br1		1.8980	2.8564	2.8564	4.1619	4.1619	4.6847	2.9621	2.9621	5.0069	5.0069	5.7705
C2	1.8980		1.3980	1.3980	2.4098	2.4098	2.7867	2.1581	2.1581	3.3930	3.3930	3.8725
C3	2.8564	1.3980		2.4368	1.3988	2.8020	2.4290	1.0851	3.4167	2.1506	3.8884	3.4120
C4	2.8564	1.3980	2.4368		2.8020	1.3988	2.4290	3.4167	1.0851	3.8884	2.1506	3.4120
C5	4.1619	2.4098	1.3988	2.8020		2.4190	1.3987	2.1655	3.8870	1.0863	3.4055	2.1589
C6	4.1619	2.4098	2.8020	1.3988	2.4190		1.3987	3.8870	2.1655	3.4055	1.0863	2.1589
C7	4.6847	2.7867	2.4290	2.4290	1.3987	1.3987		3.4158	3.4158	2.1595	2.1595	1.0858
H8	2.9621	2.1581	1.0851	3.4167	2.1655	3.8870	3.4158		4.3076	2.4867	4.9734	4.3132
H9	2.9621	2.1581	3.4167	1.0851	3.8870	2.1655	3.4158	4.3076		4.9734	2.4867	4.3132
H10	5.0069	3.3930	2.1506	3.8884	1.0863	3.4055	2.1595	2.4867	4.9734		4.3065	2.4899
H11	5.0069	3.3930	3.8884	2.1506	3.4055	1.0863	2.1595	4.9734	2.4867	4.3065		2.4899
H12	5.7705	3.8725	3.4120	3.4120	2.1589	2.1589	1.0858	4.3132	4.3132	2.4899	2.4899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br1	C2	C3	119.361	Br1	C2	C4	119.361
C2	C3	C5	118.996	C2	C3	H8	120.189
C2	C4	C6	118.996	C2	C4	H9	120.189
C3	C2	C4	121.278	C3	C5	C7	120.513
C3	C5	H10	119.319	C4	C6	C7	120.513
C4	C6	H11	119.319	C5	C3	H8	120.815
C5	C7	C6	119.706	C5	C7	H12	120.147
C6	C4	H9	120.815	C6	C7	H12	120.147
C7	C5	H10	120.168	C7	C6	H11	120.168

All results from a given calculation for C₆H₅Br (bromobenzene)

using model chemistry: MP2/6-311G**

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 C6H5Br (bromobenzene)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₅Br (bromobenzene)