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	hartrees
Energy at 0K	-37.863317
Energy at 298.15K	-37.871165
HF Energy	-37.327469
Nuclear repulsion energy	112.446843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3064	2991	0.00
2	A_g	3003	2930	0.00
3	A_g	1644	1605	0.00
4	A_g	1500	1464	0.00
5	A_g	1219	1189	0.00
6	A_g	1127	1100	0.00
7	A_g	989	965	0.00
8	A_g	836	816	0.00
9	A_g	628	613	0.00
10	A_g	241	235	0.00
11	A_u	3063	2989	0.15
12	A_u	2999	2927	169.58
13	A_u	1496	1460	0.68
14	A_u	1225	1195	0.00
15	A_u	1198	1169	0.01
16	A_u	1114	1087	0.02
17	A_u	990	966	0.10
18	A_u	761	743	0.98
19	A_u	194	190	0.05
20	B_g	3081	3008	0.00
21	B_g	2990	2918	0.00
22	B_g	1478	1443	0.00
23	B_g	1194	1165	0.00
24	B_g	1082	1057	0.00
25	B_g	1025	1001	0.00
26	B_g	792	773	0.00
27	B_g	753	735	0.00
28	B_u	3081	3007	155.26
29	B_u	2991	2919	112.11
30	B_u	1482	1446	0.39
31	B_u	1215	1186	10.97
32	B_u	1076	1051	3.49
33	B_u	871	850	0.35
34	B_u	811	791	0.01
35	B_u	272	265	9.15
36	B_u	64	62	20.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.681	0.000
C2	-0.020	-0.681	0.000
C3	0.020	-0.828	1.569
C4	-0.020	0.828	1.569
C5	-0.020	0.828	-1.569
C6	0.020	-0.828	-1.569
H7	-0.853	-1.307	-2.045
H8	0.952	-1.241	-1.993
H9	-0.952	1.241	-1.993
H10	0.853	1.307	-2.045
H11	-0.853	-1.307	2.045
H12	0.952	-1.241	1.993
H13	-0.952	1.241	1.993
H14	0.853	1.307	2.045

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3621	2.1765	1.5764	1.5764	2.1765	2.9827	2.9210	2.2871	2.2954	2.9827	2.9210	2.2871	2.2954
C2	1.3621		1.5764	2.1765	2.1765	1.5764	2.2954	2.2871	2.9210	2.9827	2.2954	2.2871	2.9210	2.9827
C3	2.1765	1.5764		1.6561	3.5481	3.1380	3.7490	3.7050	4.2323	4.2794	1.1040	1.1036	2.3244	2.3403
C4	1.5764	2.1765	1.6561		3.1380	3.5481	4.2794	4.2323	3.7050	3.7490	2.3403	2.3244	1.1036	1.1040
C5	1.5764	2.1765	3.5481	3.1380		1.6561	2.3403	2.3244	1.1036	1.1040	4.2794	4.2323	3.7050	3.7490
C6	2.1765	1.5764	3.1380	3.5481	1.6561		1.1040	1.1036	2.3244	2.3403	3.7490	3.7050	4.2323	4.2794
H7	2.9827	2.2954	3.7490	4.2794	2.3403	1.1040		1.8065	2.5500	3.1211	4.0907	4.4239	4.7760	5.1454
H8	2.9210	2.2871	3.7050	4.2323	2.3244	1.1036	1.8065		3.1272	2.5500	4.4239	3.9864	5.0667	4.7760
H9	2.2871	2.9210	4.2323	3.7050	1.1036	2.3244	2.5500	3.1272		1.8065	4.7760	5.0667	3.9864	4.4239
H10	2.2954	2.9827	4.2794	3.7490	1.1040	2.3403	3.1211	2.5500	1.8065		5.1454	4.7760	4.4239	4.0907
H11	2.9827	2.2954	1.1040	2.3403	4.2794	3.7490	4.0907	4.4239	4.7760	5.1454		1.8065	2.5500	3.1211
H12	2.9210	2.2871	1.1036	2.3244	4.2323	3.7050	4.4239	3.9864	5.0667	4.7760	1.8065		3.1272	2.5500
H13	2.2871	2.9210	2.3244	1.1036	3.7050	4.2323	4.7760	5.0667	3.9864	4.4239	2.5500	3.1272		1.8065
H14	2.2954	2.9827	2.3403	1.1040	3.7490	4.2794	5.1454	4.7760	4.4239	4.0907	3.1211	2.5500	1.8065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	95.306	C1	C2	C6	95.306
C1	C4	C3	84.614	C1	C4	H13	116.050
C1	C4	H14	116.723	C1	C5	C6	84.614
C1	C5	H9	116.050	C1	C5	H10	116.723
C2	C1	C4	95.306	C2	C1	C5	95.306
C2	C3	C4	84.614	C2	C3	H11	116.723
C2	C3	H12	116.050	C2	C6	C5	84.614
C2	C6	H7	116.723	C2	C6	H8	116.050
C3	C2	C6	168.898	C3	C4	H13	113.246
C3	C4	H14	114.484	C4	C1	C5	168.898
C4	C3	H11	114.484	C4	C3	H12	113.246
C5	C6	H7	114.484	C5	C6	H8	113.246
C6	C5	H9	113.246	C6	C5	H10	114.484
H7	C6	H8	109.830	H9	C5	H10	109.830
H11	C3	H12	109.830	H13	C4	H14	109.830

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

using model chemistry: MP2/CEP-121G

States and conformations

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