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	hartrees
Energy at 0K	-191.538171
Energy at 298.15K	-191.544110
Nuclear repulsion energy	156.542085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3413	3158	0.63
2	A	3384	3131	0.53
3	A	3369	3117	0.52
4	A	3259	3016	0.08
5	A	1660	1535	2.10
6	A	1560	1443	0.52
7	A	1333	1234	0.15
8	A	1239	1146	2.07
9	A	1129	1045	2.62
10	A	1044	966	1.44
11	A	988	914	0.52
12	A	954	882	4.35
13	A	834	772	0.16
14	A	740	685	30.17
15	A	427	395	2.89
16	A	3357	3106	2.76
17	A	3333	3084	2.44
18	A	1362	1260	18.93
19	A	1243	1150	0.03
20	A	1156	1070	2.55
21	A	1091	1009	0.44
22	A	1071	991	0.88
23	A	971	898	3.05
24	A	897	830	2.95
25	A	857	793	0.14
26	A	819	758	9.09
27	A	475	439	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.278	1.078	0.682
C2	-0.278	1.078	-0.682
C3	-0.278	-0.479	0.780
C4	-0.278	-0.479	-0.780
C5	0.960	-1.020	0.000
H6	-0.151	1.861	1.453
H7	-0.151	1.861	-1.453
H8	-0.885	-1.112	1.452
H9	-0.885	-1.112	-1.452
H10	1.906	-0.446	0.000
H11	1.092	-2.120	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3636	1.5605	2.1359	2.5303	1.1060	2.2774	2.3996	3.1174	2.7493	3.5457
C2	1.3636		2.1359	1.5605	2.5303	2.2774	1.1060	3.1174	2.3996	2.7493	3.5457
C3	1.5605	2.1359		1.5598	1.5603	2.4379	3.2369	1.1046	2.3980	2.3194	2.2757
C4	2.1359	1.5605	1.5598		1.5603	3.2369	2.4379	2.3980	1.1046	2.3194	2.2757
C5	2.5303	2.5303	1.5603	1.5603		3.4126	3.4126	2.3497	2.3497	1.1065	1.1075
H6	1.1060	2.2774	2.4379	3.2369	3.4126		2.9066	3.0616	4.2207	3.4150	4.4161
H7	2.2774	1.1060	3.2369	2.4379	3.4126	2.9066		4.2207	3.0616	3.4150	4.4161
H8	2.3996	3.1174	1.1046	2.3980	2.3497	3.0616	4.2207		2.9042	3.2156	2.6522
H9	3.1174	2.3996	2.3980	1.1046	2.3497	4.2207	3.0616	2.9042		3.2156	2.6522
H10	2.7493	2.7493	2.3194	2.3194	1.1065	3.4150	3.4150	3.2156	3.2156		1.8613
H11	3.5457	3.5457	2.2757	2.2757	1.1075	4.4161	4.4161	2.6522	2.6522	1.8613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.605	C1	C2	H7	134.233
C1	C3	C4	86.395	C1	C3	C5	108.348
C1	C3	H8	127.579	C2	C1	C3	93.605
C2	C1	H6	134.233	C2	C4	C3	86.395
C2	C4	C5	108.348	C2	C4	H9	127.579
C3	C1	H6	131.448	C3	C4	C5	60.010
C3	C4	H9	127.483	C3	C5	C4	59.980
C3	C5	H10	119.884	C3	C5	H11	116.046
C4	C2	H7	131.448	C4	C3	C5	60.010
C4	C3	H8	127.483	C4	C5	H10	119.884
C4	C5	H11	116.046	C5	C3	H8	122.778
C5	C4	H9	122.778	H10	C5	H11	114.420

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

using model chemistry: BLYP/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	-0.080
2	C	-0.080
3	C	-0.084
4	C	-0.084
5	C	-0.142
6	H	0.074
7	H	0.074
8	H	0.081
9	H	0.081
10	H	0.082
11	H	0.080

	x	y	z	Total
	0.166	-0.332	0.000	0.371
CHELPG
AIM
ESP

	x	y	z
x	2.758	-0.321	0.000
y	-0.321	4.518	0.000
z	0.000	0.000	4.211

<r²>	89.538
(<r²>)^1/2	9.462

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

using model chemistry: BLYP/STO-3G

States and conformations

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