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	hartrees
Energy at 0K	-232.746361
Energy at 298.15K	-232.755855
HF Energy	-231.813145
Nuclear repulsion energy	231.235810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3098	9.76
2	A₁	3171	3003	44.07
3	A₁	3159	2992	5.04
4	A₁	3091	2928	33.85
5	A₁	1587	1503	0.72
6	A₁	1545	1463	0.32
7	A₁	1282	1214	4.21
8	A₁	1153	1092	2.07
9	A₁	1076	1019	0.06
10	A₁	1012	958	0.37
11	A₁	982	930	0.00
12	A₁	867	821	1.88
13	A₁	545	516	0.33
14	A₂	1241	1176	0.00
15	A₂	1119	1060	0.00
16	A₂	1081	1024	0.00
17	A₂	873	827	0.00
18	A₂	857	812	0.00
19	A₂	540	511	0.00
20	B₁	3165	2998	24.99
21	B₁	3082	2919	55.66
22	B₁	1512	1432	3.46
23	B₁	1230	1165	5.11
24	B₁	1018	964	2.35
25	B₁	846	801	4.23
26	B₁	655	620	51.71
27	B₁	452	428	13.56
28	B₂	3245	3074	4.70
29	B₂	3157	2990	76.38
30	B₂	1344	1273	17.74
31	B₂	1264	1197	1.74
32	B₂	1241	1175	12.36
33	B₂	1118	1058	3.36
34	B₂	935	886	0.30
35	B₂	870	824	8.53
36	B₂	741	702	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.675	1.208
C2	0.000	-0.675	1.208
C3	0.000	-1.020	-0.280
C4	0.000	1.020	-0.280
C5	1.061	0.000	-0.804
C6	-1.061	0.000	-0.804
H7	0.000	1.370	2.038
H8	0.000	-1.370	2.038
H9	0.000	-2.072	-0.574
H10	0.000	2.072	-0.574
H11	2.038	0.000	-0.314
H12	-2.038	0.000	-0.314
H13	-1.160	0.000	-1.894
H14	1.160	0.000	-1.894

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3491	2.2552	1.5275	2.3719	2.3719	1.0835	2.2070	3.2734	2.2640	2.6314	2.6314	3.3799	3.3799
C2	1.3491		1.5275	2.2552	2.3719	2.3719	2.2070	1.0835	2.2640	3.2734	2.6314	2.6314	3.3799	3.3799
C3	2.2552	1.5275		2.0402	1.5621	1.5621	3.3300	2.3449	1.0917	3.1055	2.2796	2.2796	2.2343	2.2343
C4	1.5275	2.2552	2.0402		1.5621	1.5621	2.3449	3.3300	3.1055	1.0917	2.2796	2.2796	2.2343	2.2343
C5	2.3719	2.3719	1.5621	1.5621		2.1221	3.3286	3.3286	2.3387	2.3387	1.0932	3.1379	2.4747	1.0953
C6	2.3719	2.3719	1.5621	1.5621	2.1221		3.3286	3.3286	2.3387	2.3387	3.1379	1.0932	1.0953	2.4747
H7	1.0835	2.2070	3.3300	2.3449	3.3286	3.3286		2.7403	4.3208	2.7049	3.4005	3.4005	4.3231	4.3231
H8	2.2070	1.0835	2.3449	3.3300	3.3286	3.3286	2.7403		2.7049	4.3208	3.4005	3.4005	4.3231	4.3231
H9	3.2734	2.2640	1.0917	3.1055	2.3387	2.3387	4.3208	2.7049		4.1430	2.9178	2.9178	2.7168	2.7168
H10	2.2640	3.2734	3.1055	1.0917	2.3387	2.3387	2.7049	4.3208	4.1430		2.9178	2.9178	2.7168	2.7168
H11	2.6314	2.6314	2.2796	2.2796	1.0932	3.1379	3.4005	3.4005	2.9178	2.9178		4.0767	3.5679	1.8083
H12	2.6314	2.6314	2.2796	2.2796	3.1379	1.0932	3.4005	3.4005	2.9178	2.9178	4.0767		1.8083	3.5679
H13	3.3799	3.3799	2.2343	2.2343	2.4747	1.0953	4.3231	4.3231	2.7168	2.7168	3.5679	1.8083		2.3205
H14	3.3799	3.3799	2.2343	2.2343	1.0953	2.4747	4.3231	4.3231	2.7168	2.7168	1.8083	3.5679	2.3205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.073	C1	C2	H8	129.939
C1	C4	C5	100.287	C1	C4	C6	100.287
C1	C4	H10	118.679	C2	C1	C4	103.073
C2	C1	H7	129.939	C2	C3	C5	100.287
C2	C3	C6	100.287	C2	C3	H9	118.679
C3	C2	H8	126.988	C3	C5	C4	81.538
C3	C5	H11	117.200	C3	C5	H14	113.272
C3	C6	C4	81.538	C3	C6	H12	117.200
C3	C6	H13	113.272	C4	C1	H7	126.988
C4	C5	H11	117.200	C4	C5	H14	113.272
C4	C6	H12	117.200	C4	C6	H13	113.272
C5	C3	C6	85.570	C5	C3	H9	122.604
C5	C4	C6	85.570	C5	C4	H10	122.604
C6	C3	H9	122.604	C6	C4	H10	122.604
H11	C5	H14	111.430	H12	C6	H13	111.430

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

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

States and conformations

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