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	hartrees
Energy at 0K	-193.781103
Energy at 298.15K	-193.787228
Nuclear repulsion energy	159.574994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3120	3.77
2	A	3144	3111	46.21
3	A	3129	3097	2.63
4	A	3034	3003	32.24
5	A	1562	1546	4.82
6	A	1419	1404	1.36
7	A	1258	1245	0.91
8	A	1171	1159	1.21
9	A	1084	1073	1.28
10	A	1009	999	1.83
11	A	942	932	3.23
12	A	854	845	2.90
13	A	785	777	0.26
14	A	721	714	52.64
15	A	405	401	4.28
16	A	3137	3105	18.38
17	A	3112	3080	7.93
18	A	1273	1260	19.50
19	A	1171	1159	0.11
20	A	1045	1034	4.51
21	A	1007	997	0.64
22	A	1000	990	2.30
23	A	931	921	1.61
24	A	855	846	8.28
25	A	802	794	5.97
26	A	768	760	23.27
27	A	443	439	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.057	0.676
C2	-0.270	1.057	-0.676
C3	-0.270	-0.463	0.763
C4	-0.270	-0.463	-0.763
C5	0.931	-1.008	0.000
H6	-0.123	1.828	1.436
H7	-0.123	1.828	-1.436
H8	-0.883	-1.094	1.407
H9	-0.883	-1.094	-1.407
H10	1.868	-0.443	0.000
H11	1.046	-2.100	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3520	1.5223	2.0933	2.4829	1.0924	2.2528	2.3532	3.0565	2.6980	3.4860
C2	1.3520		2.0933	1.5223	2.4829	2.2528	1.0924	3.0565	2.3532	2.6980	3.4860
C3	1.5223	2.0933		1.5269	1.5240	2.3922	3.1790	1.0902	2.3421	2.2706	2.2345
C4	2.0933	1.5223	1.5269		1.5240	3.1790	2.3922	2.3421	1.0902	2.2706	2.2345
C5	2.4829	2.4829	1.5240	1.5240		3.3494	3.3494	2.2973	2.2973	1.0947	1.0973
H6	1.0924	2.2528	2.3922	3.1790	3.3494		2.8711	3.0197	4.1470	3.3444	4.3423
H7	2.2528	1.0924	3.1790	2.3922	3.3494	2.8711		4.1470	3.0197	3.3444	4.3423
H8	2.3532	3.0565	1.0902	2.3421	2.2973	3.0197	4.1470		2.8140	3.1581	2.5905
H9	3.0565	2.3532	2.3421	1.0902	2.2973	4.1470	3.0197	2.8140		3.1581	2.5905
H10	2.6980	2.6980	2.2706	2.2706	1.0947	3.3444	3.3444	3.1581	3.1581		1.8496
H11	3.4860	3.4860	2.2345	2.2345	1.0973	4.3423	4.3423	2.5905	2.5905	1.8496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.293	C1	C2	H7	134.051
C1	C3	C4	86.707	C1	C3	C5	109.183
C1	C3	H8	127.735	C2	C1	C3	93.293
C2	C1	H6	134.051	C2	C4	C3	86.707
C2	C4	C5	109.183	C2	C4	H9	127.735
C3	C1	H6	131.678	C3	C4	C5	59.938
C3	C4	H9	126.181	C3	C5	C4	60.124
C3	C5	H10	119.334	C3	C5	H11	116.003
C4	C2	H7	131.678	C4	C3	C5	59.938
C4	C3	H8	126.181	C4	C5	H10	119.334
C4	C5	H11	116.003	C5	C3	H8	122.109
C5	C4	H9	122.109	H10	C5	H11	115.090

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.100
2	C	-0.100
3	C	-0.089
4	C	-0.089
5	C	-0.274
6	H	0.102
7	H	0.102
8	H	0.103
9	H	0.103
10	H	0.124
11	H	0.119

	x	y	z	Total
	0.142	-0.373	0.000	0.399
CHELPG
AIM
ESP

	x	y	z
x	5.754	-0.472	0.000
y	-0.472	8.070	0.000
z	0.000	0.000	7.393

<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: PBEPBE/6-31G(2df,p)

States and conformations

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