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	hartrees
Energy at 0K	-30.805610
Energy at 298.15K	-30.812142
Nuclear repulsion energy	82.913631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3412	3064	20.29
2	A	3393	3047	70.69
3	A	3382	3037	3.23
4	A	3294	2958	56.91
5	A	1755	1576	16.26
6	A	1620	1455	0.25
7	A	1425	1280	0.70
8	A	1310	1176	1.21
9	A	1194	1073	2.21
10	A	1108	995	3.46
11	A	1041	935	6.81
12	A	979	879	3.14
13	A	867	779	0.39
14	A	819	736	100.34
15	A	462	415	9.05
16	A	3381	3036	39.27
17	A	3369	3025	0.22
18	A	1443	1296	20.31
19	A	1320	1185	0.31
20	A	1205	1082	2.98
21	A	1148	1031	7.09
22	A	1132	1017	0.05
23	A	1027	922	5.52
24	A	979	879	5.89
25	A	894	803	2.35
26	A	848	761	44.11
27	A	485	435	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.059	0.675
C2	-0.270	1.059	-0.675
C3	-0.270	-0.468	0.759
C4	-0.270	-0.468	-0.759
C5	0.937	-1.006	0.000
H6	-0.154	1.829	1.423
H7	-0.154	1.829	-1.423
H8	-0.871	-1.083	1.413
H9	-0.871	-1.083	-1.413
H10	1.870	-0.457	0.000
H11	1.041	-2.088	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3494	1.5290	2.0945	2.4852	1.0807	2.2382	2.3438	3.0506	2.7076	3.4745
C2	1.3494		2.0945	1.5290	2.4852	2.2382	1.0807	3.0506	2.3438	2.7076	3.4745
C3	1.5290	2.0945		1.5184	1.5242	2.3941	3.1709	1.0800	2.3359	2.2707	2.2176
C4	2.0945	1.5290	1.5184		1.5242	3.1709	2.3941	2.3359	1.0800	2.2707	2.2176
C5	2.4852	2.4852	1.5242	1.5242		3.3550	3.3550	2.2955	2.2955	1.0827	1.0864
H6	1.0807	2.2382	2.3941	3.1709	3.3550		2.8470	2.9995	4.1280	3.3686	4.3353
H7	2.2382	1.0807	3.1709	2.3941	3.3550	2.8470		4.1280	2.9995	3.3686	4.3353
H8	2.3438	3.0506	1.0800	2.3359	2.2955	2.9995	4.1280		2.8253	3.1463	2.5801
H9	3.0506	2.3438	2.3359	1.0800	2.2955	4.1280	2.9995	2.8253		3.1463	2.5801
H10	2.7076	2.7076	2.2707	2.2707	1.0827	3.3686	3.3686	3.1463	3.1463		1.8297
H11	3.4745	3.4745	2.2176	2.2176	1.0864	4.3353	4.3353	2.5801	2.5801	1.8297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.168	C1	C2	H7	133.856
C1	C3	C4	86.832	C1	C3	C5	108.969
C1	C3	H8	127.040	C2	C1	C3	93.168
C2	C1	H6	133.856	C2	C4	C3	86.832
C2	C4	C5	108.969	C2	C4	H9	127.040
C3	C1	H6	132.348	C3	C4	C5	60.126
C3	C4	H9	127.233	C3	C5	C4	59.748
C3	C5	H10	120.206	C3	C5	H11	115.277
C4	C2	H7	132.348	C4	C3	C5	60.126
C4	C3	H8	127.233	C4	C5	H10	120.206
C4	C5	H11	115.277	C5	C3	H8	122.722
C5	C4	H9	122.722	H10	C5	H11	115.034

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

using model chemistry: HF/CEP-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	-0.333
2	C	-0.333
3	C	-0.138
4	C	-0.138
5	C	-0.363
6	H	0.262
7	H	0.262
8	H	0.235
9	H	0.235
10	H	0.195
11	H	0.116

	x	y	z	Total
	0.257	-0.371	0.000	0.451
CHELPG
AIM
ESP

<r²>	78.821
(<r²>)^1/2	8.878

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

using model chemistry: HF/CEP-31G*

States and conformations

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