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	hartrees
Energy at 0K	-233.839508
Energy at 298.15K
HF Energy	-232.999802
Nuclear repulsion energy	244.173442

Atom	x (Å)	y (Å)	z (Å)
C1	-0.183	1.443	0.000
C2	-0.923	-1.296	0.000
C3	0.290	0.633	1.228
C4	0.290	0.633	-1.228
C5	0.290	-0.814	0.755
C6	0.290	-0.814	-0.755
H7	-1.112	-2.368	0.000
H8	-1.830	-0.692	0.000
H9	-1.277	1.527	0.000
H10	0.213	2.467	0.000
H11	-0.350	0.799	2.106
H12	-0.350	0.799	-2.106
H13	1.314	0.920	-1.508
H14	1.314	0.920	1.508
H15	0.874	-1.544	1.314
H16	0.874	-1.544	-1.314

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8373	1.5459	1.5459	2.4265	2.4265	3.9228	2.6975	1.0975	1.0968	2.2088	2.2088	2.1881	2.1881	3.4302	3.4302
C2	2.8373		2.5881	2.5881	1.5076	1.5076	1.0887	1.0898	2.8444	3.9298	3.0249	3.0249	3.4910	3.4910	2.2397	2.2397
C3	1.5459	2.5881		2.4568	1.5220	2.4546	3.5322	2.7858	2.1826	2.2086	1.0987	3.3993	2.9359	1.0996	2.2549	3.3975
C4	1.5459	2.5881	2.4568		2.4546	1.5220	3.5322	2.7858	2.1826	2.2086	3.3993	1.0987	1.0996	2.9359	3.3975	2.2549
C5	2.4265	1.5076	1.5220	2.4546		1.5096	2.2247	2.2540	2.9159	3.3668	2.1989	3.3457	3.0291	2.1500	1.0893	2.2704
C6	2.4265	1.5076	2.4546	1.5220	1.5096		2.2247	2.2540	2.9159	3.3668	3.3457	2.1989	2.1500	3.0291	2.2704	1.0893
H7	3.9228	1.0887	3.5322	3.5322	2.2247	2.2247		1.8232	3.8980	5.0124	3.8785	3.8785	4.3553	4.3553	2.5194	2.5194
H8	2.6975	1.0898	2.7858	2.7858	2.2540	2.2540	1.8232		2.2869	3.7620	2.9750	2.9750	3.8420	3.8420	3.1247	3.1247
H9	1.0975	2.8444	2.1826	2.1826	2.9159	2.9159	3.8980	2.2869		1.7615	2.4135	2.4135	3.0585	3.0585	3.9724	3.9724
H10	1.0968	3.9298	2.2086	2.2086	3.3668	3.3668	5.0124	3.7620	1.7615		2.7447	2.7447	2.4244	2.4244	4.2715	4.2715
H11	2.2088	3.0249	1.0987	3.3993	2.1989	3.3457	3.8785	2.9750	2.4135	2.7447		4.2121	3.9805	1.7720	2.7587	4.3223
H12	2.2088	3.0249	3.3993	1.0987	3.3457	2.1989	3.8785	2.9750	2.4135	2.7447	4.2121		1.7720	3.9805	4.3223	2.7587
H13	2.1881	3.4910	2.9359	1.0996	3.0291	2.1500	4.3553	3.8420	3.0585	2.4244	3.9805	1.7720		3.0163	3.7724	2.5105
H14	2.1881	3.4910	1.0996	2.9359	2.1500	3.0291	4.3553	3.8420	3.0585	2.4244	1.7720	3.9805	3.0163		2.5105	3.7724
H15	3.4302	2.2397	2.2549	3.3975	1.0893	2.2704	2.5194	3.1247	3.9724	4.2715	2.7587	4.3223	3.7724	2.5105		2.6287
H16	3.4302	2.2397	3.3975	2.2549	2.2704	1.0893	2.5194	3.1247	3.9724	4.2715	4.3223	2.7587	2.5105	3.7724	2.6287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.545	C1	C3	H11	112.176
C1	C3	H14	110.469	C1	C4	C6	104.545
C1	C4	H12	112.176	C1	C4	H13	110.469
C2	C5	C3	117.357	C2	C5	C6	59.957
C2	C5	H15	118.293	C2	C6	C4	117.357
C2	C6	C5	59.957	C2	C6	H16	118.293
C3	C1	C4	105.243	C3	C1	H9	110.160
C3	C1	H10	112.266	C3	C5	C6	108.131
C3	C5	H15	118.491	C4	C1	H9	110.160
C4	C1	H10	112.266	C4	C6	C5	108.131
C4	C6	H16	118.491	C5	C2	C6	60.085
C5	C2	H7	117.016	C5	C2	H8	119.539
C5	C3	H11	113.092	C5	C3	H14	109.126
C5	C6	H16	120.910	C6	C2	H7	117.016
C6	C2	H8	119.539	C6	C4	H12	113.092
C6	C4	H13	109.126	C6	C5	H15	120.910
H7	C2	H8	113.632	H9	C1	H10	106.791
H11	C3	H14	107.425	H12	C4	H13	107.425

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

using model chemistry: CCSD/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 C6H10 (Bicyclo[3.1.0]hexane)

using model chemistry: CCSD/6-31G*

States and conformations

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