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	hartrees
Energy at 0K	-306.909734
Energy at 298.15K
HF Energy	-306.209703
Nuclear repulsion energy	307.980459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3124	18.27
2	A₁	3209	3071	21.58
3	A₁	3189	3052	11.59
4	A₁	1673	1601	0.93
5	A₁	1501	1436	2.65
6	A₁	1484	1420	2.55
7	A₁	1442	1380	9.87
8	A₁	1230	1177	0.00
9	A₁	1096	1049	0.01
10	A₁	1086	1039	0.30
11	A₁	982	939	1.94
12	A₁	801	766	0.14
13	A₁	545	521	0.01
14	A₂	846	810	0.00
15	A₂	827	792	0.00
16	A₂	705	674	0.00
17	A₂	484	463	0.00
18	A₂	277	265	0.00
19	A₂	407i	389i	0.00
20	B₁	802	767	4.17
21	B₁	720	689	82.50
22	B₁	608	581	61.00
23	B₁	320	306	0.27
24	B₁	133	127	7.09
25	B₂	3233	3093	4.15
26	B₂	3199	3061	39.45
27	B₂	3176	3039	0.00
28	B₂	1637	1566	1.08
29	B₂	1478	1415	4.24
30	B₂	1327	1270	0.52
31	B₂	1268	1213	15.19
32	B₂	1115	1067	1.01
33	B₂	1064	1018	1.84
34	B₂	855	818	0.06
35	B₂	665	636	1.33
36	B₂	398	381	3.30

Atom	y (Å)	z (Å)
C1	1.464	-0.631
C2	0.697	-1.872
C3	-0.697	-1.872
C4	-1.464	-0.631
C5	-0.690	2.077
C6	0.690	2.077
C7	0.730	0.533
C8	-0.730	0.533
H9	2.555	-0.664
H10	1.238	-2.820
H11	-1.238	-2.820
H12	-2.555	-0.664
H13	-1.460	2.845
H14	1.460	2.845

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.4584	2.4920	2.9276	3.4601	2.8167	1.3757	2.4838	1.0918	2.2005	3.4772	4.0190	4.5421	3.4763
C2	1.4584		1.3948	2.4920	4.1855	3.9490	2.4049	2.7966	2.2161	1.0914	2.1552	3.4696	5.1868	4.7782
C3	2.4920	1.3948		1.4584	3.9490	4.1855	2.7966	2.4049	3.4696	2.1552	1.0914	2.2161	4.7782	5.1868
C4	2.9276	2.4920	1.4584		2.8167	3.4601	2.4838	1.3757	4.0190	3.4772	2.2005	1.0918	3.4763	4.5421
C5	3.4601	4.1855	3.9490	2.8167		1.3794	2.0980	1.5449	4.2474	5.2629	4.9277	3.3154	1.0874	2.2824
C6	2.8167	3.9490	4.1855	3.4601	1.3794		1.5449	2.0980	3.3154	4.9277	5.2629	4.2474	2.2824	1.0874
C7	1.3757	2.4049	2.7966	2.4838	2.0980	1.5449		1.4608	2.1820	3.3910	3.8879	3.4966	3.1848	2.4246
C8	2.4838	2.7966	2.4049	1.3757	1.5449	2.0980	1.4608		3.4966	3.8879	3.3910	2.1820	2.4246	3.1848
H9	1.0918	2.2161	3.4696	4.0190	4.2474	3.3154	2.1820	3.4966		2.5268	4.3632	5.1102	5.3319	3.6759
H10	2.2005	1.0914	2.1552	3.4772	5.2629	4.9277	3.3910	3.8879	2.5268		2.4760	4.3632	6.2746	5.6695
H11	3.4772	2.1552	1.0914	2.2005	4.9277	5.2629	3.8879	3.3910	4.3632	2.4760		2.5268	5.6695	6.2746
H12	4.0190	3.4696	2.2161	1.0918	3.3154	4.2474	3.4966	2.1820	5.1102	4.3632	2.5268		3.6759	5.3319
H13	4.5421	5.1868	4.7782	3.4763	1.0874	2.2824	3.1848	2.4246	5.3319	6.2746	5.6695	3.6759		2.9191
H14	3.4763	4.7782	5.1868	4.5421	2.2824	1.0874	2.4246	3.1848	3.6759	5.6695	6.2746	5.3319	2.9191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.703	C1	C2	H10	118.605
C1	C7	C6	149.295	C1	C7	N8	122.215
C2	C1	C7	116.081	C2	C1	H9	119.995
C2	C3	C4	121.703	C2	C3	H11	119.691
C3	C2	H10	119.691	C3	C4	N8	116.081
C3	C4	H12	119.995	C4	C3	H11	118.605
C4	N8	C5	149.295	C4	N8	C7	122.215
C5	C6	C7	91.510	C5	C6	H14	135.068
C5	N8	C7	88.490	C6	C5	N8	91.510
C6	C5	H13	135.068	C6	C7	N8	88.490
C7	C1	H9	123.924	C7	C6	H14	133.422
N8	C4	H12	123.924	N8	C5	H13	133.422

All results from a given calculation for C₈H₆ (benzocyclobutadiene)

using model chemistry: MP2/6-31G

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 C8H6 (benzocyclobutadiene)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₈H₆ (benzocyclobutadiene)