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	hartrees
Energy at 0K	-232.215567
Energy at 298.15K	-232.225017
HF Energy	-231.672547
Nuclear repulsion energy	227.847961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3123	13.89
2	A₁	3167	3030	41.86
3	A₁	3162	3026	7.78
4	A₁	3084	2951	31.99
5	A₁	1575	1507	0.58
6	A₁	1557	1490	0.03
7	A₁	1286	1231	2.73
8	A₁	1155	1105	1.12
9	A₁	1095	1048	0.04
10	A₁	1009	966	0.00
11	A₁	949	908	0.04
12	A₁	873	836	1.19
13	A₁	533	510	0.28
14	A₂	1280	1225	0.00
15	A₂	1134	1085	0.00
16	A₂	1090	1043	0.00
17	A₂	856	819	0.00
18	A₂	825	789	0.00
19	A₂	541	518	0.00
20	B₁	3160	3023	29.46
21	B₁	3077	2944	46.60
22	B₁	1540	1474	0.79
23	B₁	1230	1177	1.43
24	B₁	1027	983	2.53
25	B₁	807	772	6.75
26	B₁	662	634	48.10
27	B₁	453	433	9.26
28	B₂	3234	3094	8.04
29	B₂	3154	3018	71.29
30	B₂	1350	1292	12.66
31	B₂	1308	1251	0.65
32	B₂	1245	1191	6.30
33	B₂	1133	1084	2.34
34	B₂	914	875	0.12
35	B₂	838	802	5.17
36	B₂	731	699	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.682	1.226
C2	0.000	-0.682	1.226
C3	0.000	-1.039	-0.283
C4	0.000	1.039	-0.283
C5	1.084	0.000	-0.819
C6	-1.084	0.000	-0.819
H7	0.000	1.382	2.058
H8	0.000	-1.382	2.058
H9	0.000	-2.094	-0.573
H10	0.000	2.094	-0.573
H11	2.060	0.000	-0.318
H12	-2.060	0.000	-0.318
H13	-1.189	0.000	-1.913
H14	1.189	0.000	-1.913

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3647	2.2893	1.5510	2.4128	2.4128	1.0868	2.2257	3.3083	2.2870	2.6632	2.6632	3.4254	3.4254
C2	1.3647		1.5510	2.2893	2.4128	2.4128	2.2257	1.0868	2.2870	3.3083	2.6632	2.6632	3.4254	3.4254
C3	2.2893	1.5510		2.0777	1.5938	1.5938	3.3677	2.3660	1.0941	3.1460	2.3071	2.3071	2.2691	2.2691
C4	1.5510	2.2893	2.0777		1.5938	1.5938	2.3660	3.3677	3.1460	1.0941	2.3071	2.3071	2.2691	2.2691
C5	2.4128	2.4128	1.5938	1.5938		2.1675	3.3702	3.3702	2.3703	2.3703	1.0968	3.1830	2.5227	1.0992
C6	2.4128	2.4128	1.5938	1.5938	2.1675		3.3702	3.3702	2.3703	2.3703	3.1830	1.0968	1.0992	2.5227
H7	1.0868	2.2257	3.3677	2.3660	3.3702	3.3702		2.7643	4.3594	2.7257	3.4346	3.4346	4.3692	4.3692
H8	2.2257	1.0868	2.3660	3.3677	3.3702	3.3702	2.7643		2.7257	4.3594	3.4346	3.4346	4.3692	4.3692
H9	3.3083	2.2870	1.0941	3.1460	2.3703	2.3703	4.3594	2.7257		4.1875	2.9481	2.9481	2.7554	2.7554
H10	2.2870	3.3083	3.1460	1.0941	2.3703	2.3703	2.7257	4.3594	4.1875		2.9481	2.9481	2.7554	2.7554
H11	2.6632	2.6632	2.3071	2.3071	1.0968	3.1830	3.4346	3.4346	2.9481	2.9481		4.1193	3.6192	1.8168
H12	2.6632	2.6632	2.3071	2.3071	3.1830	1.0968	3.4346	3.4346	2.9481	2.9481	4.1193		1.8168	3.6192
H13	3.4254	3.4254	2.2691	2.2691	2.5227	1.0992	4.3692	4.3692	2.7554	2.7554	3.6192	1.8168		2.3786
H14	3.4254	3.4254	2.2691	2.2691	1.0992	2.5227	4.3692	4.3692	2.7554	2.7554	1.8168	3.6192	2.3786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.288	C1	C2	H8	130.082
C1	C4	C5	100.202	C1	C4	C6	100.202
C1	C4	H10	118.665	C2	C1	C4	103.288
C2	C1	H7	130.082	C2	C3	C5	100.202
C2	C3	C6	100.202	C2	C3	H9	118.665
C3	C2	H8	126.629	C3	C5	C4	81.352
C3	C5	H11	116.851	C3	C5	H14	113.558
C3	C6	C4	81.352	C3	C6	H12	116.851
C3	C6	H13	113.558	C4	C1	H7	126.629
C4	C5	H11	116.851	C4	C5	H14	113.558
C4	C6	H12	116.851	C4	C6	H13	113.558
C5	C3	C6	85.680	C5	C3	H9	122.641
C5	C4	C6	85.680	C5	C4	H10	122.641
C6	C3	H9	122.641	C6	C4	H10	122.641
H11	C5	H14	111.646	H12	C6	H13	111.646

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

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

using model chemistry: MP2/6-31G

States and conformations

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