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	hartrees
Energy at 0K	-193.975317
Energy at 298.15K	-193.981410
Nuclear repulsion energy	158.905906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3118	3106	5.20
2	A	3111	3099	64.50
3	A	3096	3084	4.33
4	A	3010	2998	42.01
5	A	1539	1533	5.25
6	A	1433	1428	1.80
7	A	1236	1231	0.72
8	A	1158	1153	1.23
9	A	1074	1070	1.99
10	A	999	995	1.57
11	A	929	926	3.48
12	A	813	810	3.44
13	A	775	772	0.03
14	A	709	706	63.75
15	A	408	406	6.27
16	A	3104	3091	25.17
17	A	3082	3070	10.84
18	A	1263	1258	22.19
19	A	1181	1176	0.03
20	A	1048	1043	4.99
21	A	1005	1001	1.57
22	A	1001	997	5.27
23	A	908	905	4.69
24	A	842	838	7.12
25	A	806	802	0.71
26	A	753	750	29.17
27	A	437	436	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.269	1.066	0.676
C2	-0.269	1.066	-0.676
C3	-0.269	-0.463	0.769
C4	-0.269	-0.463	-0.769
C5	0.932	-1.024	0.000
H6	-0.127	1.840	1.431
H7	-0.127	1.840	-1.431
H8	-0.889	-1.088	1.409
H9	-0.889	-1.088	-1.409
H10	1.876	-0.474	0.000
H11	1.031	-2.114	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3520	1.5321	2.1037	2.5039	1.0905	2.2489	2.3584	3.0615	2.7256	3.5018
C2	1.3520		2.1037	1.5321	2.5039	2.2489	1.0905	3.0615	2.3584	2.7256	3.5018
C3	1.5321	2.1037		1.5371	1.5327	2.4009	3.1879	1.0885	2.3489	2.2786	2.2379
C4	2.1037	1.5321	1.5371		1.5327	3.1879	2.4009	2.3489	1.0885	2.2786	2.2379
C5	2.5039	2.5039	1.5327	1.5327		3.3724	3.3724	2.3036	2.3036	1.0922	1.0945
H6	1.0905	2.2489	2.4009	3.1879	3.3724		2.8614	3.0259	4.1498	3.3781	4.3618
H7	2.2489	1.0905	3.1879	2.4009	3.3724	2.8614		4.1498	3.0259	3.3781	4.3618
H8	2.3584	3.0615	1.0885	2.3489	2.3036	3.0259	4.1498		2.8185	3.1632	2.5935
H9	3.0615	2.3584	2.3489	1.0885	2.3036	4.1498	3.0259	2.8185		3.1632	2.5935
H10	2.7256	2.7256	2.2786	2.2786	1.0922	3.3781	3.3781	3.1632	3.1632		1.8448
H11	3.5018	3.5018	2.2379	2.2379	1.0945	4.3618	4.3618	2.5935	2.5935	1.8448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.464	C1	C2	H7	133.795
C1	C3	C4	86.536	C1	C3	C5	109.575
C1	C3	H8	127.490	C2	C1	C3	93.464
C2	C1	H6	133.795	C2	C4	C3	86.536
C2	C4	C5	109.575	C2	C4	H9	127.490
C3	C1	H6	131.819	C3	C4	C5	59.904
C3	C4	H9	126.059	C3	C5	C4	60.192
C3	C5	H10	119.520	C3	C5	H11	115.820
C4	C2	H7	131.819	C4	C3	C5	59.904
C4	C3	H8	126.059	C4	C5	H10	119.520
C4	C5	H11	115.820	C5	C3	H8	122.089
C5	C4	H9	122.089	H10	C5	H11	115.058

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

using model chemistry: BLYP/6-311G**

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	-0.082
2	C	-0.082
3	C	-0.131
4	C	-0.131
5	C	-0.173
6	H	0.081
7	H	0.081
8	H	0.109
9	H	0.109
10	H	0.112
11	H	0.107

	x	y	z	Total
	0.127	-0.390	0.000	0.410
CHELPG
AIM
ESP

	x	y	z
x	6.234	-0.503	0.000
y	-0.503	8.496	0.000
z	0.000	0.000	7.834

<r²>	89.035
(<r²>)^1/2	9.436

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

using model chemistry: BLYP/6-311G**

States and conformations

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