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	hartrees
Energy at 0K	-38.316703
Energy at 298.15K	-38.325748
HF Energy	-37.536998
Nuclear repulsion energy	118.071918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3255	3101	16.46
2	A	3228	3075	22.45
3	A	3213	3062	23.77
4	A	3207	3055	16.16
5	A	3201	3050	0.39
6	A	3147	2999	18.30
7	A	3106	2960	24.88
8	A	3056	2912	45.67
9	A	1621	1544	3.15
10	A	1519	1448	3.22
11	A	1510	1438	2.63
12	A	1396	1331	3.78
13	A	1390	1324	1.56
14	A	1338	1274	1.82
15	A	1309	1247	0.04
16	A	1219	1161	3.62
17	A	1197	1141	1.22
18	A	1136	1083	1.50
19	A	1117	1064	1.81
20	A	1101	1049	0.70
21	A	1086	1035	7.50
22	A	1061	1011	8.89
23	A	1031	982	2.97
24	A	1002	955	1.84
25	A	955	910	6.41
26	A	936	892	3.39
27	A	903	860	5.12
28	A	890	848	0.88
29	A	824	786	11.16
30	A	786	749	14.24
31	A	772	736	0.59
32	A	724	690	52.87
33	A	674	642	1.85
34	A	478	456	7.37
35	A	350	333	0.70
36	A	276	263	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.630	-0.782	-0.391
C2	-0.822	-1.137	-0.047
C3	0.735	0.748	-0.451
C4	1.438	-0.038	0.656
C5	-1.474	0.221	0.194
C6	-0.627	1.245	-0.077
H7	1.171	-1.390	-1.111
H8	-1.307	-1.667	-0.879
H9	-0.885	-1.787	0.836
H10	1.332	1.257	-1.204
H11	1.024	0.052	1.659
H12	2.520	-0.131	0.600
H13	-2.496	0.336	0.550
H14	-0.877	2.301	0.011

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5332	1.5342	1.5171	2.4024	2.4050	1.0872	2.1850	2.1930	2.3044	2.2478	2.2311	3.4503	3.4542
C2	1.5332		2.4772	2.6091	1.5249	2.3892	2.2730	1.0994	1.0991	3.4211	2.7810	3.5494	2.3084	3.4381
C3	1.5342	2.4772		1.5283	2.3606	1.4974	2.2796	3.1914	3.2720	1.0875	2.2405	2.2502	3.4074	2.2852
C4	1.5171	2.6091	1.5283		2.9592	2.5385	2.2408	3.5419	2.9133	2.2686	1.0887	1.0877	3.9527	3.3524
C5	2.4024	1.5249	2.3606	2.9592		1.3559	3.3605	2.1778	2.1889	3.3015	2.9011	4.0298	1.0886	2.1717
C6	2.4050	2.3892	1.4974	2.5385	1.3559		3.3534	3.0958	3.1768	2.2602	2.6763	3.5007	2.1704	1.0887
H7	1.0872	2.2730	2.2796	2.2408	3.3605	3.3534		2.5044	2.8588	2.6537	3.1262	2.5164	4.3803	4.3675
H8	2.1850	1.0994	3.1914	3.5419	2.1778	3.0958	2.5044		1.7703	3.9521	3.8516	4.3812	2.7330	4.0891
H9	2.1930	1.0991	3.2720	2.9133	2.1889	3.1768	2.8588	1.7703		4.2828	2.7760	3.7935	2.6809	4.1703
H10	2.3044	3.4211	1.0875	2.2686	3.3015	2.2602	2.6537	3.9521	4.2828		3.1215	2.5678	4.3101	2.7284
H11	2.2478	2.7810	2.2405	1.0887	2.9011	2.6763	3.1262	3.8516	2.7760	3.1215		1.8415	3.7018	3.3741
H12	2.2311	3.5494	2.2502	1.0877	4.0298	3.5007	2.5164	4.3812	3.7935	2.5678	1.8415		5.0378	4.2186
H13	3.4503	2.3084	3.4074	3.9527	1.0886	2.1704	4.3803	2.7330	2.6809	4.3101	3.7018	5.0378		2.6022
H14	3.4542	3.4381	2.2852	3.3524	2.1717	1.0887	4.3675	4.0891	4.1703	2.7284	3.3741	4.2186	2.6022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	103.548	C1	C2	H8	111.124
C1	C2	H9	111.785	C1	C3	C4	59.388
C1	C3	C6	104.986	C1	C3	H10	122.110
C1	C4	C3	60.500	C1	C4	H11	118.293
C1	C4	H12	116.905	C2	C1	C3	107.724
C2	C1	C4	117.602	C2	C1	H7	119.347
C2	C5	C6	111.930	C2	C5	H13	123.213
C3	C1	C4	60.112	C3	C1	H7	119.865
C3	C4	H11	116.773	C3	C4	H12	117.686
C3	C6	C5	111.551	C3	C6	H14	123.404
C4	C1	H7	117.788	C4	C3	C6	114.066
C4	C3	H10	119.327	C5	C2	H8	111.131
C5	C2	H9	112.045	C5	C6	H14	124.977
C6	C3	H10	121.128	C6	C5	H13	124.855
H8	C2	H9	107.274	H11	C4	H12	115.584

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)

using model chemistry: MP2/CEP-121G*

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[3.1.0]hex-2-ene)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[3.1.0]hex-2-ene)