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	hartrees
Energy at 0K	-232.616294
Energy at 298.15K	-232.625840
HF Energy	-231.787295
Nuclear repulsion energy	231.632920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3328	3116	9.00
2	A₁	3221	3016	39.71
3	A₁	3207	3004	5.74
4	A₁	3138	2939	31.67
5	A₁	1619	1516	0.58
6	A₁	1565	1465	0.00
7	A₁	1310	1227	1.89
8	A₁	1167	1093	0.86
9	A₁	1093	1023	0.27
10	A₁	1025	960	0.00
11	A₁	993	930	0.00
12	A₁	874	819	1.39
13	A₁	543	508	0.22
14	A₂	1263	1183	0.00
15	A₂	1145	1072	0.00
16	A₂	1097	1027	0.00
17	A₂	880	824	0.00
18	A₂	879	823	0.00
19	A₂	544	509	0.00
20	B₁	3215	3011	26.81
21	B₁	3130	2932	49.57
22	B₁	1531	1434	0.16
23	B₁	1264	1183	1.58
24	B₁	1031	965	1.83
25	B₁	855	801	2.57
26	B₁	670	627	39.72
27	B₁	454	425	7.49
28	B₂	3302	3092	3.76
29	B₂	3204	3001	70.56
30	B₂	1372	1285	11.47
31	B₂	1292	1210	1.37
32	B₂	1266	1186	6.73
33	B₂	1135	1063	3.38
34	B₂	947	887	0.25
35	B₂	879	823	5.18
36	B₂	747	700	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	1.207
C2	0.000	-0.674	1.207
C3	0.000	-1.017	-0.280
C4	0.000	1.017	-0.280
C5	1.059	0.000	-0.803
C6	-1.059	0.000	-0.803
H7	0.000	1.368	2.033
H8	0.000	-1.368	2.033
H9	0.000	-2.065	-0.572
H10	0.000	2.065	-0.572
H11	2.035	0.000	-0.318
H12	-2.035	0.000	-0.318
H13	-1.157	0.000	-1.891
H14	1.157	0.000	-1.891

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3476	2.2520	1.5262	2.3704	2.3704	1.0792	2.2029	3.2662	2.2586	2.6306	2.6306	3.3751	3.3751
C2	1.3476		1.5262	2.2520	2.3704	2.3704	2.2029	1.0792	2.2586	3.2662	2.6306	2.6306	3.3751	3.3751
C3	2.2520	1.5262		2.0349	1.5593	1.5593	3.3229	2.3394	1.0879	3.0967	2.2752	2.2752	2.2292	2.2292
C4	1.5262	2.2520	2.0349		1.5593	1.5593	2.3394	3.3229	3.0967	1.0879	2.2752	2.2752	2.2292	2.2292
C5	2.3704	2.3704	1.5593	1.5593		2.1184	3.3227	3.3227	2.3327	2.3327	1.0897	3.1318	2.4686	1.0919
C6	2.3704	2.3704	1.5593	1.5593	2.1184		3.3227	3.3227	2.3327	2.3327	3.1318	1.0897	1.0919	2.4686
H7	1.0792	2.2029	3.3229	2.3394	3.3227	3.3227		2.7368	4.3100	2.6965	3.3970	3.3970	4.3139	4.3139
H8	2.2029	1.0792	2.3394	3.3229	3.3227	3.3227	2.7368		2.6965	4.3100	3.3970	3.3970	4.3139	4.3139
H9	3.2662	2.2586	1.0879	3.0967	2.3327	2.3327	4.3100	2.6965		4.1309	2.9104	2.9104	2.7102	2.7102
H10	2.2586	3.2662	3.0967	1.0879	2.3327	2.3327	2.6965	4.3100	4.1309		2.9104	2.9104	2.7102	2.7102
H11	2.6306	2.6306	2.2752	2.2752	1.0897	3.1318	3.3970	3.3970	2.9104	2.9104		4.0694	3.5583	1.8014
H12	2.6306	2.6306	2.2752	2.2752	3.1318	1.0897	3.3970	3.3970	2.9104	2.9104	4.0694		1.8014	3.5583
H13	3.3751	3.3751	2.2292	2.2292	2.4686	1.0919	4.3139	4.3139	2.7102	2.7102	3.5583	1.8014		2.3140
H14	3.3751	3.3751	2.2292	2.2292	1.0919	2.4686	4.3139	4.3139	2.7102	2.7102	1.8014	3.5583	2.3140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.011	C1	C2	H8	130.063
C1	C4	C5	100.387	C1	C4	C6	100.387
C1	C4	H10	118.574	C2	C1	C4	103.011
C2	C1	H7	130.063	C2	C3	C5	100.387
C2	C3	C6	100.387	C2	C3	H9	118.574
C3	C2	H8	126.926	C3	C5	C4	81.462
C3	C5	H11	117.288	C3	C5	H14	113.287
C3	C6	C4	81.462	C3	C6	H12	117.288
C3	C6	H13	113.287	C4	C1	H7	126.926
C4	C5	H11	117.288	C4	C5	H14	113.287
C4	C6	H12	117.288	C4	C6	H13	113.287
C5	C3	C6	85.578	C5	C3	H9	122.581
C5	C4	C6	85.578	C5	C4	H10	122.581
C6	C3	H9	122.581	C6	C4	H10	122.581
H11	C5	H14	111.324	H12	C6	H13	111.324

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)