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	hartrees
Energy at 0K	-233.750521
Energy at 298.15K
HF Energy	-233.039314
Nuclear repulsion energy	245.382555

Atom	x (Å)	y (Å)	z (Å)
C1	-0.184	1.437	0.000
C2	-0.918	-1.291	0.000
C3	0.289	0.631	1.222
C4	0.289	0.631	-1.222
C5	0.289	-0.810	0.751
C6	0.289	-0.810	-0.751
H7	-1.102	-2.354	0.000
H8	-1.818	-0.693	0.000
H9	-1.268	1.518	0.000
H10	0.206	2.452	0.000
H11	-0.343	0.795	2.093
H12	-0.343	0.795	-2.093
H13	1.305	0.915	-1.497
H14	1.305	0.915	1.497
H15	0.868	-1.535	1.304
H16	0.868	-1.535	-1.304

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8250	1.5383	1.5383	2.4164	2.4164	3.9009	2.6852	1.0877	1.0871	2.1950	2.1950	2.1745	2.1745	3.4116	3.4116
C2	2.8250		2.5772	2.5772	1.5012	1.5012	1.0791	1.0801	2.8301	3.9079	3.0101	3.0101	3.4711	3.4711	2.2254	2.2254
C3	1.5383	2.5772		2.4432	1.5156	2.4432	3.5124	2.7724	2.1691	2.1945	1.0890	3.3783	2.9158	1.0901	2.2430	3.3770
C4	1.5383	2.5772	2.4432		2.4432	1.5156	3.5124	2.7724	2.1691	2.1945	3.3783	1.0890	1.0901	2.9158	3.3770	2.2430
C5	2.4164	1.5012	1.5156	2.4432		1.5030	2.2100	2.2403	2.8999	3.3485	2.1853	3.3267	3.0105	2.1364	1.0797	2.2553
C6	2.4164	1.5012	2.4432	1.5156	1.5030		2.2100	2.2403	2.8999	3.3485	3.3267	2.1853	2.1364	3.0105	2.2553	1.0797
H7	3.9009	1.0791	3.5124	3.5124	2.2100	2.2100		1.8085	3.8753	4.9809	3.8565	3.8565	4.3269	4.3269	2.5011	2.5011
H8	2.6852	1.0801	2.7724	2.7724	2.2403	2.2403	1.8085		2.2783	3.7405	2.9615	2.9615	3.8185	3.8185	3.1026	3.1026
H9	1.0877	2.8301	2.1691	2.1691	2.8999	2.8999	3.8753	2.2783		1.7458	2.3997	2.3997	3.0372	3.0372	3.9475	3.9475
H10	1.0871	3.9079	2.1945	2.1945	3.3485	3.3485	4.9809	3.7405	1.7458		2.7254	2.7254	2.4100	2.4100	4.2463	4.2463
H11	2.1950	3.0101	1.0890	3.3783	2.1853	3.3267	3.8565	2.9615	2.3997	2.7254		4.1858	3.9517	1.7567	2.7417	4.2936
H12	2.1950	3.0101	3.3783	1.0890	3.3267	2.1853	3.8565	2.9615	2.3997	2.7254	4.1858		1.7567	3.9517	4.2936	2.7417
H13	2.1745	3.4711	2.9158	1.0901	3.0105	2.1364	4.3269	3.8185	3.0372	2.4100	3.9517	1.7567		2.9935	3.7467	2.4959
H14	2.1745	3.4711	1.0901	2.9158	2.1364	3.0105	4.3269	3.8185	3.0372	2.4100	1.7567	3.9517	2.9935		2.4959	3.7467
H15	3.4116	2.2254	2.2430	3.3770	1.0797	2.2553	2.5011	3.1026	3.9475	4.2463	2.7417	4.2936	3.7467	2.4959		2.6084
H16	3.4116	2.2254	3.3770	2.2430	2.2553	1.0797	2.5011	3.1026	3.9475	4.2463	4.2936	2.7417	2.4959	3.7467	2.6084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.601	C1	C3	H11	112.201
C1	C3	H14	110.486	C1	C4	C6	104.601
C1	C4	H12	112.201	C1	C4	H13	110.486
C2	C5	C3	117.359	C2	C5	C6	59.960
C2	C5	H15	118.227	C2	C6	C4	117.359
C2	C6	C5	59.960	C2	C6	H16	118.227
C3	C1	C4	105.151	C3	C1	H9	110.200
C3	C1	H10	112.276	C3	C5	C6	108.070
C3	C5	H15	118.627	C4	C1	H9	110.200
C4	C1	H10	112.276	C4	C6	C5	108.070
C4	C6	H16	118.627	C5	C2	C6	60.080
C5	C2	H7	116.900	C5	C2	H8	119.544
C5	C3	H11	113.049	C5	C3	H14	109.052
C5	C6	H16	120.790	C6	C2	H7	116.900
C6	C2	H8	119.544	C6	C4	H12	113.049
C6	C4	H13	109.052	C6	C5	H15	120.790
H7	C2	H8	113.768	H9	C1	H10	106.783
H11	C3	H14	107.442	H12	C4	H13	107.442

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

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

States and conformations

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