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	hartrees
Energy at 0K	-2772.350703
Energy at 298.15K	-2772.358478
Nuclear repulsion energy	424.942994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3530	3078	1.38
2	A₁	3517	3066	4.43
3	A₁	3506	3057	1.04
4	A₁	1728	1507	16.70
5	A₁	1620	1412	29.16
6	A₁	1274	1110	0.12
7	A₁	1202	1048	38.49
8	A₁	1101	960	1.45
9	A₁	1067	930	2.04
10	A₁	732	638	7.51
11	A₁	349	304	0.37
12	A₂	1058	923	0.00
13	A₂	924	805	0.00
14	A₂	436	380	0.00
15	B₁	1075	937	0.04
16	B₁	989	863	1.06
17	B₁	796	694	19.79
18	B₁	754	657	4.13
19	B₁	494	431	0.64
20	B₁	184	160	0.00
21	B₂	3521	3070	7.69
22	B₂	3510	3060	0.45
23	B₂	1709	1490	2.32
24	B₂	1569	1368	5.47
25	B₂	1429	1246	0.25
26	B₂	1284	1120	0.00
27	B₂	1204	1050	0.22
28	B₂	1157	1009	0.05
29	B₂	655	571	0.02
30	B₂	258	225	0.36

Atom	y (Å)	z (Å)
Br1	0.000	1.828
C2	0.000	-0.077
C3	1.230	-0.792
C4	-1.230	-0.792
C5	1.225	-2.208
C6	-1.225	-2.208
C7	0.000	-2.919
H8	2.185	-0.243
H9	-2.185	-0.243
H10	2.181	-2.754
H11	-2.181	-2.754
H12	0.000	-4.019

	Br1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
Br1		1.9049	2.8952	2.8952	4.2178	4.2178	4.7470	3.0109	3.0109	5.0750	5.0750	5.8477
C2	1.9049		1.4235	1.4235	2.4580	2.4580	2.8421	2.1914	2.1914	3.4533	3.4533	3.9428
C3	2.8952	1.4235		2.4609	1.4154	2.8339	2.4567	1.1013	3.4594	2.1799	3.9351	3.4536
C4	2.8952	1.4235	2.4609		2.8339	1.4154	2.4567	3.4594	1.1013	3.9351	2.1799	3.4536
C5	4.2178	2.4580	1.4154	2.8339		2.4494	1.4161	2.1867	3.9352	1.1012	3.4490	2.1867
C6	4.2178	2.4580	2.8339	1.4154	2.4494		1.4161	3.9352	2.1867	3.4490	1.1012	2.1867
C7	4.7470	2.8421	2.4567	2.4567	1.4161	1.4161		3.4544	3.4544	2.1870	2.1870	1.1007
H8	3.0109	2.1914	1.1013	3.4594	2.1867	3.9352	3.4544		4.3701	2.5110	5.0364	4.3628
H9	3.0109	2.1914	3.4594	1.1013	3.9352	2.1867	3.4544	4.3701		5.0364	2.5110	4.3628
H10	5.0750	3.4533	2.1799	3.9351	1.1012	3.4490	2.1870	2.5110	5.0364		4.3615	2.5212
H11	5.0750	3.4533	3.9351	2.1799	3.4490	1.1012	2.1870	5.0364	2.5110	4.3615		2.5212
H12	5.8477	3.9428	3.4536	3.4536	2.1867	2.1867	1.1007	4.3628	4.3628	2.5212	2.5212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br1	C2	C3	120.188	Br1	C2	C4	120.188
C2	C3	C5	119.954	C2	C3	H8	119.899
C2	C4	C6	119.954	C2	C4	H9	119.899
C3	C2	C4	119.625	C3	C5	C7	120.368
C3	C5	H10	119.518	C4	C6	C7	120.368
C4	C6	H11	119.518	C5	C3	H8	120.147
C5	C7	C6	119.731	C5	C7	H12	120.134
C6	C4	H9	120.147	C6	C7	H12	120.134
C7	C5	H10	120.115	C7	C6	H11	120.115

All results from a given calculation for C₆H₅Br (bromobenzene)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₆H₅Br (bromobenzene)