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	hartrees
Energy at 0K	-193.426998
Energy at 298.15K	-193.433332
HF Energy	-192.720456
Nuclear repulsion energy	160.744486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3093	6.79
2	A	3301	3085	31.73
3	A	3296	3080	5.68
4	A	3296	3080	11.18
5	A	3270	3055	7.11
6	A	3196	2986	22.20
7	A	1600	1495	3.94
8	A	1532	1432	0.74
9	A	1362	1273	18.71
10	A	1346	1257	0.80
11	A	1264	1181	0.09
12	A	1240	1159	1.47
13	A	1149	1073	1.32
14	A	1127	1053	4.61
15	A	1089	1018	4.93
16	A	1073	1003	1.00
17	A	1073	1003	2.21
18	A	995	930	2.92
19	A	985	920	1.63
20	A	900	841	3.33
21	A	886	828	10.98
22	A	843	787	0.08
23	A	834	780	12.17
24	A	809	756	15.16
25	A	754	704	57.88
26	A	458	428	1.96
27	A	431	402	5.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.078	-0.676	0.092
C2	-1.078	0.676	0.092
C3	0.345	-0.759	-0.406
C4	0.345	0.759	-0.405
C5	1.248	-0.000	0.541
H6	-1.747	-1.422	0.498
H7	-1.747	1.422	0.498
H8	0.735	-1.391	-1.187
H9	0.735	1.392	-1.187
H10	1.021	-0.000	1.599
H11	2.304	-0.000	0.294

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3521	1.5102	2.0816	2.4635	1.0808	2.2389	2.3317	3.0333	2.6708	3.4548
C2	1.3521		2.0816	1.5102	2.4636	2.2390	1.0808	3.0332	2.3317	2.6710	3.4550
C3	1.5102	2.0816		1.5181	1.5120	2.3734	3.1543	1.0785	2.3213	2.2472	2.2141
C4	2.0816	1.5102	1.5181		1.5121	3.1544	2.3734	2.3213	1.0785	2.2472	2.2141
C5	2.4635	2.4636	1.5120	1.5121		3.3157	3.3159	2.2770	2.2770	1.0821	1.0843
H6	1.0808	2.2390	2.3734	3.1544	3.3157		2.8436	3.0003	4.1130	3.3009	4.2981
H7	2.2389	1.0808	3.1543	2.3734	3.3159	2.8436		4.1129	3.0002	3.3013	4.2983
H8	2.3317	3.0332	1.0785	2.3213	2.2770	3.0003	4.1129		2.7834	3.1272	2.5675
H9	3.0333	2.3317	2.3213	1.0785	2.2770	4.1130	3.0002	2.7834		3.1272	2.5675
H10	2.6708	2.6710	2.2472	2.2472	1.0821	3.3009	3.3013	3.1272	3.1272		1.8295
H11	3.4548	3.4550	2.2141	2.2141	1.0843	4.2981	4.2983	2.5675	2.5675	1.8295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.151	C1	C2	H7	133.628
C1	C3	C4	86.851	C1	C3	C5	109.201
C1	C3	H8	127.726	C2	C1	C3	93.150
C2	C1	H6	133.630	C2	C4	C3	86.848
C2	C4	C5	109.207	C2	C4	H9	127.723
C3	C1	H6	132.003	C3	C4	C5	59.868
C3	C4	H9	125.915	C3	C5	C4	60.263
C3	C5	H10	119.121	C3	C5	H11	116.056
C4	C2	H7	132.000	C4	C3	C5	59.869
C4	C3	H8	125.916	C4	C5	H10	119.122
C4	C5	H11	116.058	C5	C3	H8	122.144
C5	C4	H9	122.143	H10	C5	H11	115.234

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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