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	hartrees
Energy at 0K	-233.939173
Energy at 298.15K
HF Energy	-233.053283
Nuclear repulsion energy	244.573592

Atom	x (Å)	y (Å)	z (Å)
C1	-0.202	1.434	0.000
C2	-0.921	-1.292	0.000
C3	0.294	0.635	1.223
C4	0.294	0.635	-1.223
C5	0.294	-0.811	0.758
C6	0.294	-0.811	-0.758
H7	-1.105	-2.361	0.000
H8	-1.818	-0.680	0.000
H9	-1.295	1.475	0.000
H10	0.160	2.466	0.000
H11	-0.329	0.803	2.109
H12	-0.329	0.803	-2.109
H13	1.322	0.927	-1.474
H14	1.322	0.927	1.474
H15	0.875	-1.545	1.308
H16	0.875	-1.545	-1.308

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8191	1.5426	1.5426	2.4212	2.4212	3.9008	2.6603	1.0939	1.0936	2.2045	2.2045	2.1797	2.1797	3.4273	3.4273
C2	2.8191		2.5861	2.5861	1.5114	1.5114	1.0848	1.0856	2.7926	3.9102	3.0308	3.0308	3.4827	3.4827	2.2366	2.2366
C3	1.5426	2.5861		2.4456	1.5193	2.4529	3.5258	2.7724	2.1745	2.2055	1.0958	3.3932	2.9006	1.0970	2.2580	3.3908
C4	1.5426	2.5861	2.4456		2.4529	1.5193	3.5258	2.7724	2.1745	2.2055	3.3932	1.0958	1.0970	2.9006	3.3908	2.2580
C5	2.4212	1.5114	1.5193	2.4529		1.5164	2.2215	2.2481	2.8864	3.3663	2.1947	3.3484	3.0102	2.1425	1.0854	2.2685
C6	2.4212	1.5114	2.4529	1.5193	1.5164		2.2215	2.2481	2.8864	3.3663	3.3484	2.1947	2.1425	3.0102	2.2685	1.0854
H7	3.9008	1.0848	3.5258	3.5258	2.2215	2.2215		1.8264	3.8413	4.9898	3.8806	3.8806	4.3445	4.3445	2.5093	2.5093
H8	2.6603	1.0856	2.7724	2.7724	2.2481	2.2481	1.8264		2.2176	3.7155	2.9768	2.9768	3.8225	3.8225	3.1163	3.1163
H9	1.0939	2.7926	2.1745	2.1745	2.8864	2.8864	3.8413	2.2176		1.7602	2.4151	2.4151	3.0531	3.0531	3.9428	3.9428
H10	1.0936	3.9102	2.2055	2.2055	3.3663	3.3663	4.9898	3.7155	1.7602		2.7294	2.7294	2.4267	2.4267	4.2791	4.2791
H11	2.2045	3.0308	1.0958	3.3932	2.1947	3.3484	3.8806	2.9768	2.4151	2.7294		4.2170	3.9464	1.7723	2.7572	4.3170
H12	2.2045	3.0308	3.3932	1.0958	3.3484	2.1947	3.8806	2.9768	2.4151	2.7294	4.2170		1.7723	3.9464	4.3170	2.7572
H13	2.1797	3.4827	2.9006	1.0970	3.0102	2.1425	4.3445	3.8225	3.0531	2.4267	3.9464	1.7723		2.9482	3.7490	2.5180
H14	2.1797	3.4827	1.0970	2.9006	2.1425	3.0102	4.3445	3.8225	3.0531	2.4267	1.7723	3.9464	2.9482		2.5180	3.7490
H15	3.4273	2.2366	2.2580	3.3908	1.0854	2.2685	2.5093	3.1163	3.9428	4.2791	2.7572	4.3170	3.7490	2.5180		2.6165
H16	3.4273	2.2366	3.3908	2.2580	2.2685	1.0854	2.5093	3.1163	3.9428	4.2791	4.3170	2.7572	2.5180	3.7490	2.6165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.507	C1	C3	H11	112.242
C1	C3	H14	110.192	C1	C4	C6	104.507
C1	C4	H12	112.242	C1	C4	H13	110.192
C2	C5	C3	117.143	C2	C5	C6	59.890
C2	C5	H15	117.995	C2	C6	C4	117.143
C2	C6	C5	59.890	C2	C6	H16	117.995
C3	C1	C4	104.876	C3	C1	H9	109.961
C3	C1	H10	112.452	C3	C5	C6	107.806
C3	C5	H15	119.263	C4	C1	H9	109.961
C4	C1	H10	112.452	C4	C6	C5	107.806
C4	C6	H16	119.263	C5	C2	C6	60.221
C5	C2	H7	116.711	C5	C2	H8	119.007
C5	C3	H11	113.128	C5	C3	H14	108.877
C5	C6	H16	120.449	C6	C2	H7	116.711
C6	C2	H8	119.007	C6	C4	H12	113.128
C6	C4	H13	108.877	C6	C5	H15	120.449
H7	C2	H8	114.601	H9	C1	H10	107.156
H11	C3	H14	107.845	H12	C4	H13	107.845

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)

using model chemistry: MP2/6-311G**

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 C6H10 (Bicyclo[3.1.0]hexane)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)