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	hartrees
Energy at 0K	-193.383436
Energy at 298.15K	-193.389785
HF Energy	-192.709622
Nuclear repulsion energy	160.188585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3282	3081	8.24
2	A	3272	3072	35.30
3	A	3261	3061	2.35
4	A	3174	2979	22.68
5	A	1650	1549	3.82
6	A	1536	1442	1.10
7	A	1359	1275	0.55
8	A	1245	1169	1.44
9	A	1148	1078	1.39
10	A	1072	1006	1.73
11	A	996	935	2.98
12	A	921	865	3.69
13	A	845	793	0.12
14	A	756	709	63.03
15	A	436	410	6.13
16	A	3265	3064	16.25
17	A	3248	3048	4.40
18	A	1364	1280	20.70
19	A	1267	1189	0.32
20	A	1131	1061	5.12
21	A	1101	1034	5.01
22	A	1078	1012	1.92
23	A	981	920	2.29
24	A	899	844	9.39
25	A	846	794	4.70
26	A	814	764	25.25
27	A	467	438	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.268	1.056	0.673
C2	-0.268	1.056	-0.673
C3	-0.268	-0.462	0.760
C4	-0.268	-0.462	-0.760
C5	0.924	-1.010	0.000
H6	-0.117	1.824	1.425
H7	-0.117	1.824	-1.425
H8	-0.885	-1.083	1.400
H9	-0.885	-1.083	-1.400
H10	1.860	-0.458	0.000
H11	1.031	-2.094	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3460	1.5210	2.0877	2.4781	1.0854	2.2392	2.3417	3.0417	2.6971	3.4732
C2	1.3460		2.0877	1.5210	2.4781	2.2392	1.0854	3.0417	2.3417	2.6971	3.4732
C3	1.5210	2.0877		1.5195	1.5155	2.3862	3.1661	1.0841	2.3302	2.2597	2.2195
C4	2.0877	1.5210	1.5195		1.5155	3.1661	2.3862	2.3302	1.0841	2.2597	2.2195
C5	2.4781	2.4781	1.5155	1.5155		3.3386	3.3386	2.2881	2.2881	1.0873	1.0893
H6	1.0854	2.2392	2.3862	3.1661	3.3386		2.8499	3.0067	4.1255	3.3391	4.3245
H7	2.2392	1.0854	3.1661	2.3862	3.3386	2.8499		4.1255	3.0067	3.3391	4.3245
H8	2.3417	3.0417	1.0841	2.3302	2.2881	3.0067	4.1255		2.7999	3.1442	2.5793
H9	3.0417	2.3417	2.3302	1.0841	2.2881	4.1255	3.0067	2.7999		3.1442	2.5793
H10	2.6971	2.6971	2.2597	2.2597	1.0873	3.3391	3.3391	3.1442	3.1442		1.8342
H11	3.4732	3.4732	2.2195	2.2195	1.0893	4.3245	4.3245	2.5793	2.5793	1.8342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.270	C1	C2	H7	133.849
C1	C3	C4	86.730	C1	C3	C5	109.401
C1	C3	H8	127.224	C2	C1	C3	93.270
C2	C1	H6	133.849	C2	C4	C3	86.730
C2	C4	C5	109.401	C2	C4	H9	127.224
C3	C1	H6	131.836	C3	C4	C5	59.911
C3	C4	H9	126.193	C3	C5	C4	60.177
C3	C5	H10	119.595	C3	C5	H11	115.918
C4	C2	H7	131.836	C4	C3	C5	59.911
C4	C3	H8	126.193	C4	C5	H10	119.595
C4	C5	H11	115.918	C5	C3	H8	122.461
C5	C4	H9	122.461	H10	C5	H11	114.853

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

using model chemistry: MP3/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C5H6 (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: MP3/6-31G*

States and conformations

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