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	hartrees
Energy at 0K	-232.694491
Energy at 298.15K	-232.703996
HF Energy	-231.825992
Nuclear repulsion energy	230.970625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3111	8.54
2	A₁	3168	3010	45.95
3	A₁	3160	3003	2.71
4	A₁	3087	2933	33.37
5	A₁	1580	1501	1.06
6	A₁	1531	1454	0.10
7	A₁	1280	1216	3.12
8	A₁	1148	1090	1.14
9	A₁	1071	1018	0.19
10	A₁	1007	956	0.11
11	A₁	978	929	0.00
12	A₁	862	819	1.76
13	A₁	540	513	0.19
14	A₂	1237	1175	0.00
15	A₂	1115	1060	0.00
16	A₂	1076	1023	0.00
17	A₂	880	836	0.00
18	A₂	865	822	0.00
19	A₂	538	511	0.00
20	B₁	3162	3005	24.40
21	B₁	3078	2925	55.46
22	B₁	1498	1423	2.08
23	B₁	1231	1170	3.15
24	B₁	1014	964	1.73
25	B₁	842	800	3.58
26	B₁	663	630	47.14
27	B₁	450	428	10.03
28	B₂	3248	3086	3.74
29	B₂	3158	3001	73.32
30	B₂	1340	1273	14.42
31	B₂	1261	1198	1.77
32	B₂	1238	1176	9.12
33	B₂	1115	1059	3.26
34	B₂	931	885	0.36
35	B₂	866	823	6.68
36	B₂	737	700	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.675	1.210
C2	0.000	-0.675	1.210
C3	0.000	-1.021	-0.280
C4	0.000	1.021	-0.280
C5	1.062	0.000	-0.805
C6	-1.062	0.000	-0.805
H7	0.000	1.372	2.039
H8	0.000	-1.372	2.039
H9	0.000	-2.073	-0.573
H10	0.000	2.073	-0.573
H11	2.040	0.000	-0.314
H12	-2.040	0.000	-0.314
H13	-1.155	0.000	-1.897
H14	1.155	0.000	-1.897

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3503	2.2580	1.5297	2.3760	2.3760	1.0831	2.2086	3.2757	2.2655	2.6346	2.6346	3.3832	3.3832
C2	1.3503		1.5297	2.2580	2.3760	2.3760	2.2086	1.0831	2.2655	3.2757	2.6346	2.6346	3.3832	3.3832
C3	2.2580	1.5297		2.0427	1.5646	1.5646	3.3327	2.3456	1.0914	3.1080	2.2817	2.2817	2.2346	2.2346
C4	1.5297	2.2580	2.0427		1.5646	1.5646	2.3456	3.3327	3.1080	1.0914	2.2817	2.2817	2.2346	2.2346
C5	2.3760	2.3760	1.5646	1.5646		2.1250	3.3318	3.3318	2.3407	2.3407	1.0939	3.1411	2.4723	1.0960
C6	2.3760	2.3760	1.5646	1.5646	2.1250		3.3318	3.3318	2.3407	2.3407	3.1411	1.0939	1.0960	2.4723
H7	1.0831	2.2086	3.3327	2.3456	3.3318	3.3318		2.7438	4.3231	2.7046	3.4033	3.4033	4.3258	4.3258
H8	2.2086	1.0831	2.3456	3.3327	3.3318	3.3318	2.7438		2.7046	4.3231	3.4033	3.4033	4.3258	4.3258
H9	3.2757	2.2655	1.0914	3.1080	2.3407	2.3407	4.3231	2.7046		4.1455	2.9198	2.9198	2.7175	2.7175
H10	2.2655	3.2757	3.1080	1.0914	2.3407	2.3407	2.7046	4.3231	4.1455		2.9198	2.9198	2.7175	2.7175
H11	2.6346	2.6346	2.2817	2.2817	1.0939	3.1411	3.4033	3.4033	2.9198	2.9198		4.0801	3.5661	1.8134
H12	2.6346	2.6346	2.2817	2.2817	3.1411	1.0939	3.4033	3.4033	2.9198	2.9198	4.0801		1.8134	3.5661
H13	3.3832	3.3832	2.2346	2.2346	2.4723	1.0960	4.3258	4.3258	2.7175	2.7175	3.5661	1.8134		2.3110
H14	3.3832	3.3832	2.2346	2.2346	1.0960	2.4723	4.3258	4.3258	2.7175	2.7175	1.8134	3.5661	2.3110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.081	C1	C2	H8	130.040
C1	C4	C5	100.321	C1	C4	C6	100.321
C1	C4	H10	118.655	C2	C1	C4	103.081
C2	C1	H7	130.040	C2	C3	C5	100.321
C2	C3	C6	100.321	C2	C3	H9	118.655
C3	C2	H8	126.879	C3	C5	C4	81.509
C3	C5	H11	117.146	C3	C5	H14	113.081
C3	C6	C4	81.509	C3	C6	H12	117.146
C3	C6	H13	113.081	C4	C1	H7	126.879
C4	C5	H11	117.146	C4	C5	H14	113.081
C4	C6	H12	117.146	C4	C6	H13	113.081
C5	C3	C6	85.547	C5	C3	H9	122.598
C5	C4	C6	85.547	C5	C4	H10	122.598
C6	C3	H9	122.598	C6	C4	H10	122.598
H11	C5	H14	111.798	H12	C6	H13	111.798

All results from a given calculation for C₆H₈ (Bicyclo[2.1.1]hex-2-ene)

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 C6H8 (Bicyclo[2.1.1]hex-2-ene)

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

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[2.1.1]hex-2-ene)