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	hartrees
Energy at 0K	-191.658479
Energy at 298.15K	-191.664614
Nuclear repulsion energy	158.015041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3522	3143	0.21
2	A	3495	3119	0.12
3	A	3478	3104	0.67
4	A	3367	3005	0.60
5	A	1738	1551	1.82
6	A	1609	1435	0.46
7	A	1401	1250	0.19
8	A	1293	1154	2.09
9	A	1169	1043	2.56
10	A	1082	966	1.37
11	A	1042	930	0.77
12	A	1007	899	4.55
13	A	871	777	0.17
14	A	778	694	30.35
15	A	446	398	2.73
16	A	3466	3093	6.74
17	A	3442	3072	4.79
18	A	1417	1265	20.56
19	A	1290	1151	0.01
20	A	1211	1081	2.23
21	A	1144	1021	0.47
22	A	1114	994	1.05
23	A	1017	908	3.12
24	A	953	851	3.01
25	A	895	799	0.10
26	A	857	764	9.65
27	A	495	442	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.276	1.069	0.675
C2	-0.276	1.069	-0.675
C3	-0.276	-0.477	0.771
C4	-0.276	-0.477	-0.771
C5	0.951	-1.008	0.000
H6	-0.159	1.845	1.442
H7	-0.159	1.845	-1.442
H8	-0.876	-1.103	1.441
H9	-0.876	-1.103	-1.441
H10	1.888	-0.435	0.000
H11	1.087	-2.099	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3495	1.5485	2.1163	2.5048	1.0977	2.2576	2.3802	3.0910	2.7201	3.5140
C2	1.3495		2.1163	1.5485	2.5048	2.2576	1.0977	3.0910	2.3802	2.7201	3.5140
C3	1.5485	2.1163		1.5418	1.5433	2.4197	3.2096	1.0964	2.3759	2.2975	2.2547
C4	2.1163	1.5485	1.5418		1.5433	3.2096	2.4197	2.3759	1.0964	2.2975	2.2547
C5	2.5048	2.5048	1.5433	1.5433		3.3841	3.3841	2.3291	2.3291	1.0985	1.0994
H6	1.0977	2.2576	2.4197	3.2096	3.3841		2.8840	3.0343	4.1854	3.3866	4.3805
H7	2.2576	1.0977	3.2096	2.4197	3.3841	2.8840		4.1854	3.0343	3.3866	4.3805
H8	2.3802	3.0910	1.0964	2.3759	2.3291	3.0343	4.1854		2.8817	3.1883	2.6311
H9	3.0910	2.3802	2.3759	1.0964	2.3291	4.1854	3.0343	2.8817		3.1883	2.6311
H10	2.7201	2.7201	2.2975	2.2975	1.0985	3.3866	3.3866	3.1883	3.1883		1.8469
H11	3.5140	3.5140	2.2547	2.2547	1.0994	4.3805	4.3805	2.6311	2.6311	1.8469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.559	C1	C2	H7	134.342
C1	C3	C4	86.441	C1	C3	C5	108.219
C1	C3	H8	127.461	C2	C1	C3	93.559
C2	C1	H6	134.342	C2	C4	C3	86.441
C2	C4	C5	108.219	C2	C4	H9	127.461
C3	C1	H6	131.488	C3	C4	C5	60.032
C3	C4	H9	127.667	C3	C5	C4	59.936
C3	C5	H10	119.901	C3	C5	H11	116.106
C4	C2	H7	131.488	C4	C3	C5	60.032
C4	C3	H8	127.667	C4	C5	H10	119.901
C4	C5	H11	116.106	C5	C3	H8	122.954
C5	C4	H9	122.954	H10	C5	H11	114.343

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

using model chemistry: B3LYP/STO-3G

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	-0.081
2	C	-0.081
3	C	-0.087
4	C	-0.087
5	C	-0.146
6	H	0.076
7	H	0.076
8	H	0.083
9	H	0.083
10	H	0.084
11	H	0.082

	x	y	z	Total
	0.153	-0.309	0.000	0.345
CHELPG
AIM
ESP

	x	y	z
x	2.678	-0.298	0.000
y	-0.298	4.327	0.000
z	0.000	0.000	4.141

<r²>	88.218
(<r²>)^1/2	9.392

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

using model chemistry: B3LYP/STO-3G

States and conformations

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