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	hartrees
Energy at 0K	-192.854783
Energy at 298.15K	-192.861001
Nuclear repulsion energy	159.708178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3140	3.63
2	A	3191	3126	27.15
3	A	3170	3105	4.44
4	A	3070	3008	20.52
5	A	1581	1549	3.34
6	A	1443	1414	5.94
7	A	1281	1255	4.18
8	A	1189	1165	3.22
9	A	1098	1076	3.12
10	A	1027	1006	1.92
11	A	958	938	6.86
12	A	877	859	4.68
13	A	808	792	0.27
14	A	732	718	77.56
15	A	426	417	6.99
16	A	3184	3119	7.82
17	A	3160	3095	4.24
18	A	1286	1260	27.26
19	A	1205	1180	0.16
20	A	1090	1068	5.66
21	A	1029	1008	6.96
22	A	1021	1001	6.81
23	A	941	922	2.40
24	A	886	868	8.27
25	A	827	810	1.39
26	A	785	769	32.20
27	A	454	444	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.269	1.053	0.677
C2	-0.269	1.053	-0.677
C3	-0.269	-0.462	0.765
C4	-0.269	-0.462	-0.765
C5	0.928	-1.007	0.000
H6	-0.137	1.827	1.436
H7	-0.137	1.827	-1.436
H8	-0.881	-1.088	1.415
H9	-0.881	-1.088	-1.415
H10	1.862	-0.434	0.000
H11	1.056	-2.097	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3541	1.5185	2.0921	2.4769	1.0922	2.2546	2.3461	3.0555	2.6849	3.4840
C2	1.3541		2.0921	1.5185	2.4769	2.2546	1.0922	3.0555	2.3461	2.6849	3.4840
C3	1.5185	2.0921		1.5295	1.5207	2.3899	3.1790	1.0902	2.3488	2.2637	2.2384
C4	2.0921	1.5185	1.5295		1.5207	3.1790	2.3899	2.3488	1.0902	2.2637	2.2384
C5	2.4769	2.4769	1.5207	1.5207		3.3512	3.3512	2.2977	2.2977	1.0959	1.0977
H6	1.0922	2.2546	2.3899	3.1790	3.3512		2.8730	3.0086	4.1451	3.3423	4.3460
H7	2.2546	1.0922	3.1790	2.3899	3.3512	2.8730		4.1451	3.0086	3.3423	4.3460
H8	2.3461	3.0555	1.0902	2.3488	2.2977	3.0086	4.1451		2.8298	3.1547	2.6021
H9	3.0555	2.3461	2.3488	1.0902	2.2977	4.1451	3.0086	2.8298		3.1547	2.6021
H10	2.6849	2.6849	2.2637	2.2637	1.0959	3.3423	3.3423	3.1547	3.1547		1.8484
H11	3.4840	3.4840	2.2384	2.2384	1.0977	4.3460	4.3460	2.6021	2.6021	1.8484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.310	C1	C2	H7	134.051
C1	C3	C4	86.690	C1	C3	C5	109.171
C1	C3	H8	127.376	C2	C1	C3	93.310
C2	C1	H6	134.051	C2	C4	C3	86.690
C2	C4	C5	109.171	C2	C4	H9	127.376
C3	C1	H6	131.854	C3	C4	C5	59.809
C3	C4	H9	126.610	C3	C5	C4	60.382
C3	C5	H10	118.898	C3	C5	H11	116.567
C4	C2	H7	131.854	C4	C3	C5	59.809
C4	C3	H8	126.610	C4	C5	H10	118.898
C4	C5	H11	116.567	C5	C3	H8	122.436
C5	C4	H9	122.436	H10	C5	H11	114.847

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

using model chemistry: LSDA/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	-0.106
2	C	-0.106
3	C	-0.224
4	C	-0.224
5	C	-0.325
6	H	0.151
7	H	0.151
8	H	0.168
9	H	0.168
10	H	0.177
11	H	0.168

	x	y	z	Total
	0.152	-0.444	0.000	0.470
CHELPG
AIM
ESP

	x	y	z
x	5.251	-0.437	0.000
y	-0.437	7.624	0.000
z	0.000	0.000	7.100

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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