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	hartrees
Energy at 0K	-193.868706
Energy at 298.15K	-193.874837
Nuclear repulsion energy	157.651718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3147	8.08
2	A	3157	3133	59.27
3	A	3136	3112	8.49
4	A	3044	3021	36.62
5	A	1539	1528	4.96
6	A	1470	1458	1.07
7	A	1241	1232	0.91
8	A	1162	1153	2.43
9	A	1090	1082	2.10
10	A	1013	1005	1.14
11	A	938	931	3.68
12	A	839	833	3.95
13	A	774	768	1.99
14	A	725	720	63.77
15	A	419	416	5.16
16	A	3149	3126	23.06
17	A	3128	3104	9.10
18	A	1281	1271	20.14
19	A	1209	1200	0.13
20	A	1089	1081	4.13
21	A	1027	1019	8.87
22	A	1019	1012	0.01
23	A	912	905	7.42
24	A	841	835	4.78
25	A	820	814	0.05
26	A	752	746	24.05
27	A	444	441	1.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.272	1.074	0.682
C2	-0.272	1.074	-0.682
C3	-0.272	-0.467	0.778
C4	-0.272	-0.467	-0.778
C5	0.941	-1.035	0.000
H6	-0.138	1.849	1.439
H7	-0.138	1.849	-1.439
H8	-0.887	-1.085	1.430
H9	-0.887	-1.085	-1.430
H10	1.887	-0.485	0.000
H11	1.046	-2.126	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3643	1.5441	2.1227	2.5264	1.0912	2.2622	2.3666	3.0828	2.7490	3.5278
C2	1.3643		2.1227	1.5441	2.5264	2.2622	1.0912	3.0828	2.3666	2.7490	3.5278
C3	1.5441	2.1227		1.5553	1.5483	2.4118	3.2084	1.0894	2.3741	2.2946	2.2573
C4	2.1227	1.5441	1.5553		1.5483	3.2084	2.4118	2.3741	1.0894	2.2946	2.2573
C5	2.5264	2.5264	1.5483	1.5483		3.3982	3.3982	2.3215	2.3215	1.0943	1.0967
H6	1.0912	2.2622	2.4118	3.2084	3.3982		2.8785	3.0277	4.1716	3.4085	4.3901
H7	2.2622	1.0912	3.2084	2.4118	3.3982	2.8785		4.1716	3.0277	3.4085	4.3901
H8	2.3666	3.0828	1.0894	2.3741	2.3215	3.0277	4.1716		2.8609	3.1782	2.6207
H9	3.0828	2.3666	2.3741	1.0894	2.3215	4.1716	3.0277	2.8609		3.1782	2.6207
H10	2.7490	2.7490	2.2946	2.2946	1.0943	3.4085	3.4085	3.1782	3.1782		1.8439
H11	3.5278	3.5278	2.2573	2.2573	1.0967	4.3901	4.3901	2.6207	2.6207	1.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.546	C1	C2	H7	133.934
C1	C3	C4	86.454	C1	C3	C5	109.569
C1	C3	H8	127.111	C2	C1	C3	93.546
C2	C1	H6	133.934	C2	C4	C3	86.454
C2	C4	C5	109.569	C2	C4	H9	127.111
C3	C1	H6	131.709	C3	C4	C5	59.850
C3	C4	H9	126.814	C3	C5	C4	60.300
C3	C5	H10	119.540	C3	C5	H11	116.130
C4	C2	H7	131.709	C4	C3	C5	59.850
C4	C3	H8	126.814	C4	C5	H10	119.540
C4	C5	H11	116.130	C5	C3	H8	122.359
C5	C4	H9	122.359	H10	C5	H11	114.621

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.062
2	C	-0.062
3	C	-0.162
4	C	-0.162
5	C	-0.224
6	H	0.100
7	H	0.100
8	H	0.113
9	H	0.113
10	H	0.127
11	H	0.119

	x	y	z	Total
	0.131	-0.374	0.000	0.396
CHELPG
AIM
ESP

<r²>	89.839
(<r²>)^1/2	9.478

All results from a given calculation for C5H6 (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)