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	hartrees
Energy at 0K	-38.157662
Energy at 298.15K	-38.165716
HF Energy	-37.425402
Nuclear repulsion energy	114.170882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3019	103.07
2	A₁	3096	2939	3.74
3	A₁	1658	1574	2.27
4	A₁	1515	1438	2.33
5	A₁	1226	1164	0.02
6	A₁	1107	1051	1.80
7	A₁	918	872	0.12
8	A₁	805	764	1.86
9	A₁	711	675	3.10
10	A₁	129	123	15.36
11	A₂	3164	3004	0.00
12	A₂	3089	2933	0.00
13	A₂	1491	1416	0.00
14	A₂	1276	1212	0.00
15	A₂	1168	1109	0.00
16	A₂	1119	1062	0.00
17	A₂	942	895	0.00
18	A₂	783	743	0.00
19	A₂	176	167	0.00
20	B₁	3180	3019	10.38
21	B₁	3092	2936	136.47
22	B₁	1515	1438	1.57
23	B₁	1274	1210	0.68
24	B₁	1227	1165	0.34
25	B₁	1052	999	0.59
26	B₁	864	821	0.47
27	B₁	743	705	0.45
28	B₂	3164	3004	2.10
29	B₂	3091	2935	86.55
30	B₂	1496	1420	1.15
31	B₂	1207	1146	4.06
32	B₂	1170	1111	11.03
33	B₂	951	903	6.27
34	B₂	862	819	0.12
35	B₂	397	377	16.11
36	B₂	204	194	4.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.682	-0.229
C2	0.000	-0.682	-0.229
C3	-1.522	-0.804	0.059
C4	-1.522	0.804	0.059
C5	1.522	0.804	0.059
C6	1.522	-0.804	0.059
H7	2.141	-1.290	-0.716
H8	1.773	-1.227	1.049
H9	2.141	1.290	-0.716
H10	1.773	1.227	1.049
H11	-2.141	-1.290	-0.716
H12	-1.773	-1.227	1.049
H13	-2.141	1.290	-0.716
H14	-1.773	1.227	1.049

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3647	2.1463	1.5534	1.5534	2.1463	2.9513	2.9021	2.2780	2.2525	2.9513	2.9021	2.2780	2.2525
C2	1.3647		1.5534	2.1463	2.1463	1.5534	2.2780	2.2525	2.9513	2.9021	2.2780	2.2525	2.9513	2.9021
C3	2.1463	1.5534		1.6071	3.4414	3.0431	3.7750	3.4658	4.2891	3.9944	1.1051	1.1053	2.3167	2.2726
C4	1.5534	2.1463	1.6071		3.0431	3.4414	4.2891	3.9944	3.7750	3.4658	2.3167	2.2726	1.1051	1.1053
C5	1.5534	2.1463	3.4414	3.0431		1.6071	2.3167	2.2726	1.1051	1.1053	4.2891	3.9944	3.7750	3.4658
C6	2.1463	1.5534	3.0431	3.4414	1.6071		1.1051	1.1053	2.3167	2.2726	3.7750	3.4658	4.2891	3.9944
H7	2.9513	2.2780	3.7750	4.2891	2.3167	1.1051		1.8040	2.5798	3.0959	4.2817	4.2938	4.9988	4.9766
H8	2.9021	2.2525	3.4658	3.9944	2.2726	1.1053	1.8040		3.0959	2.4535	4.2938	3.5458	4.9766	4.3119
H9	2.2780	2.9513	4.2891	3.7750	1.1051	2.3167	2.5798	3.0959		1.8040	4.9988	4.9766	4.2817	4.2938
H10	2.2525	2.9021	3.9944	3.4658	1.1053	2.2726	3.0959	2.4535	1.8040		4.9766	4.3119	4.2938	3.5458
H11	2.9513	2.2780	1.1051	2.3167	4.2891	3.7750	4.2817	4.2938	4.9988	4.9766		1.8040	2.5798	3.0959
H12	2.9021	2.2525	1.1053	2.2726	3.9944	3.4658	4.2938	3.5458	4.9766	4.3119	1.8040		3.0959	2.4535
H13	2.2780	2.9513	2.3167	1.1051	3.7750	4.2891	4.9988	4.9766	4.2817	4.2938	2.5798	3.0959		1.8040
H14	2.2525	2.9021	2.2726	1.1053	3.4658	3.9944	4.9766	4.3119	4.2938	3.5458	3.0959	2.4535	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	94.474	C1	C2	C6	94.474
C1	C4	C3	85.526	C1	C4	H13	116.926
C1	C4	H14	114.771	C1	C5	C6	85.526
C1	C5	H9	116.926	C1	C5	H10	114.771
C2	C1	C4	94.474	C2	C1	C5	94.474
C2	C3	C4	85.526	C2	C3	H11	116.926
C2	C3	H12	114.771	C2	C6	C5	85.526
C2	C6	H7	116.926	C2	C6	H8	114.771
C3	C2	C6	156.745	C3	C4	H13	116.112
C3	C4	H14	112.514	C4	C1	C5	156.745
C4	C3	H11	116.112	C4	C3	H12	112.514
C5	C6	H7	116.112	C5	C6	H8	112.514
C6	C5	H9	116.112	C6	C5	H10	112.514
H7	C6	H8	109.404	H9	C5	H10	109.404
H11	C3	H12	109.404	H13	C4	H14	109.404

All results from a given calculation for C₆H₈ (Bicyclo[2.2.0]hex-1(4)-ene)

using model chemistry: MP2/CEP-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[2.2.0]hex-1(4)-ene)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₆H₈ (Bicyclo[2.2.0]hex-1(4)-ene)