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	hartrees
Energy at 0K	-31.467935
Energy at 298.15K	-31.474169
HF Energy	-30.816642
Nuclear repulsion energy	82.584584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3090	18.86
2	A	3233	3080	5.93
3	A	3224	3072	33.00
4	A	3126	2978	30.45
5	A	1536	1464	6.01
6	A	1502	1431	1.77
7	A	1300	1239	1.00
8	A	1210	1153	1.40
9	A	1118	1065	2.39
10	A	1047	998	2.03
11	A	971	925	4.38
12	A	869	828	2.56
13	A	821	783	0.06
14	A	739	704	84.86
15	A	423	403	8.96
16	A	3227	3075	14.20
17	A	3195	3045	9.62
18	A	1323	1260	20.78
19	A	1225	1167	0.66
20	A	1099	1048	8.76
21	A	1055	1005	6.58
22	A	1047	997	0.06
23	A	954	909	0.47
24	A	849	809	8.76
25	A	812	774	12.56
26	A	794	756	24.63
27	A	447	426	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.274	1.055	0.683
C2	-0.274	1.055	-0.683
C3	-0.274	-0.466	0.768
C4	-0.274	-0.466	-0.768
C5	0.939	-1.002	0.000
H6	-0.118	1.827	1.436
H7	-0.118	1.827	-1.436
H8	-0.877	-1.100	1.411
H9	-0.877	-1.100	-1.411
H10	1.861	-0.421	0.000
H11	1.060	-2.087	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3663	1.5241	2.1029	2.4840	1.0891	2.2603	2.3540	3.0656	2.6837	3.4814
C2	1.3663		2.1029	1.5241	2.4840	2.2603	1.0891	3.0656	2.3540	2.6837	3.4814
C3	1.5241	2.1029		1.5366	1.5324	2.3938	3.1846	1.0862	2.3488	2.2689	2.2352
C4	2.1029	1.5241	1.5366		1.5324	3.1846	2.3938	2.3488	1.0862	2.2689	2.2352
C5	2.4840	2.4840	1.5324	1.5324		3.3442	3.3442	2.3024	2.3024	1.0894	1.0917
H6	1.0891	2.2603	2.3938	3.1846	3.3442		2.8711	3.0245	4.1535	3.3215	4.3326
H7	2.2603	1.0891	3.1846	2.3938	3.3442	2.8711		4.1535	3.0245	3.3215	4.3326
H8	2.3540	3.0656	1.0862	2.3488	2.3024	3.0245	4.1535		2.8226	3.1543	2.5922
H9	3.0656	2.3540	2.3488	1.0862	2.3024	4.1535	3.0245	2.8226		3.1543	2.5922
H10	2.6837	2.6837	2.2689	2.2689	1.0894	3.3215	3.3215	3.1543	3.1543		1.8482
H11	3.4814	3.4814	2.2352	2.2352	1.0917	4.3326	4.3326	2.5922	2.5922	1.8482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.202	C1	C2	H7	133.694
C1	C3	C4	86.798	C1	C3	C5	108.725
C1	C3	H8	128.013	C2	C1	C3	93.202
C2	C1	H6	133.694	C2	C4	C3	86.798
C2	C4	C5	108.725	C2	C4	H9	128.013
C3	C1	H6	131.998	C3	C4	C5	59.909
C3	C4	H9	126.301	C3	C5	C4	60.182
C3	C5	H10	118.892	C3	C5	H11	115.799
C4	C2	H7	131.998	C4	C3	C5	59.909
C4	C3	H8	126.301	C4	C5	H10	118.892
C4	C5	H11	115.799	C5	C3	H8	122.182
C5	C4	H9	122.182	H10	C5	H11	115.854

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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