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	hartrees
Energy at 0K	-230.962743
Energy at 298.15K	-230.970945
HF Energy	-230.410870
Nuclear repulsion energy	215.518391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3120	2979	0.00
2	A_g	1673	1597	0.00
3	A_g	1561	1490	0.00
4	A_g	1222	1166	0.00
5	A_g	818	781	0.00
6	A_g	606	578	0.00
7	A_u	3172	3029	0.00
8	A_u	1166	1113	0.00
9	A_u	1006	961	0.00
10	A_u	206	197	0.00
11	B_1g	3111	2970	0.00
12	B_1g	1550	1480	0.00
13	B_1g	1245	1189	0.00
14	B_1g	1078	1030	0.00
15	B_1g	808	772	0.00
16	B_1u	3188	3044	68.27
17	B_1u	1125	1074	0.55
18	B_1u	836	799	0.54
19	B_1u	132	126	17.77
20	B_2g	3189	3045	0.00
21	B_2g	1084	1035	0.00
22	B_2g	770	735	0.00
23	B_2u	3112	2971	50.57
24	B_2u	1552	1481	0.02
25	B_2u	1242	1186	18.42
26	B_2u	918	876	0.01
27	B_2u	332	317	7.80
28	B_3g	3174	3030	0.00
29	B_3g	1191	1138	0.00
30	B_3g	1036	990	0.00
31	B_3g	345	330	0.00
32	B_3u	3118	2977	79.07
33	B_3u	1563	1492	2.68
34	B_3u	1222	1167	1.52
35	B_3u	1177	1124	0.03
36	B_3u	730	697	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.670	0.000
C2	0.000	-0.670	0.000
C3	1.561	-0.827	0.000
C4	1.561	0.827	0.000
C5	-1.561	0.827	0.000
C6	-1.561	-0.827	0.000
H7	-2.001	-1.263	0.901
H8	-2.001	-1.263	-0.901
H9	-2.001	1.263	0.901
H10	-2.001	1.263	-0.901
H11	2.001	-1.263	0.901
H12	2.001	-1.263	-0.901
H13	2.001	1.263	0.901
H14	2.001	1.263	-0.901

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3408	2.1632	1.5692	1.5692	2.1632	2.9246	2.9246	2.2731	2.2731	2.9246	2.9246	2.2731	2.2731
C2	1.3408		1.5692	2.1632	2.1632	1.5692	2.2731	2.2731	2.9246	2.9246	2.2731	2.2731	2.9246	2.9246
C3	2.1632	1.5692		1.6537	3.5336	3.1227	3.7004	3.7004	4.2272	4.2272	1.0932	1.0932	2.3177	2.3177
C4	1.5692	2.1632	1.6537		3.1227	3.5336	4.2272	4.2272	3.7004	3.7004	2.3177	2.3177	1.0932	1.0932
C5	1.5692	2.1632	3.5336	3.1227		1.6537	2.3177	2.3177	1.0932	1.0932	4.2272	4.2272	3.7004	3.7004
C6	2.1632	1.5692	3.1227	3.5336	1.6537		1.0932	1.0932	2.3177	2.3177	3.7004	3.7004	4.2272	4.2272
H7	2.9246	2.2731	3.7004	4.2272	2.3177	1.0932		1.8018	2.5256	3.1025	4.0022	4.3891	4.7324	5.0639
H8	2.9246	2.2731	3.7004	4.2272	2.3177	1.0932	1.8018		3.1025	2.5256	4.3891	4.0022	5.0639	4.7324
H9	2.2731	2.9246	4.2272	3.7004	1.0932	2.3177	2.5256	3.1025		1.8018	4.7324	5.0639	4.0022	4.3891
H10	2.2731	2.9246	4.2272	3.7004	1.0932	2.3177	3.1025	2.5256	1.8018		5.0639	4.7324	4.3891	4.0022
H11	2.9246	2.2731	1.0932	2.3177	4.2272	3.7004	4.0022	4.3891	4.7324	5.0639		1.8018	2.5256	3.1025
H12	2.9246	2.2731	1.0932	2.3177	4.2272	3.7004	4.3891	4.0022	5.0639	4.7324	1.8018		3.1025	2.5256
H13	2.2731	2.9246	2.3177	1.0932	3.7004	4.2272	4.7324	5.0639	4.0022	4.3891	2.5256	3.1025		1.8018
H14	2.2731	2.9246	2.3177	1.0932	3.7004	4.2272	5.0639	4.7324	4.3891	4.0022	3.1025	2.5256	1.8018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	95.721	C1	C2	C6	95.721
C1	C4	C3	84.279	C1	C4	H13	116.103
C1	C4	H14	116.103	C1	C5	C6	84.279
C1	C5	H9	116.103	C1	C5	H10	116.103
C2	C1	C4	95.721	C2	C1	C5	95.721
C2	C3	C4	84.279	C2	C3	H11	116.103
C2	C3	H12	116.103	C2	C6	C5	84.279
C2	C6	H7	116.103	C2	C6	H8	116.103
C3	C2	C6	168.558	C3	C4	H13	113.504
C3	C4	H14	113.504	C4	C1	C5	168.558
C4	C3	H11	113.504	C4	C3	H12	113.504
C5	C6	H7	113.504	C5	C6	H8	113.504
C6	C5	H9	113.504	C6	C5	H10	113.504
H7	C6	H8	110.997	H9	C5	H10	110.997
H11	C3	H12	110.997	H13	C4	H14	110.997

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

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

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