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	hartrees
Energy at 0K	-234.515843
Energy at 298.15K
HF Energy	-234.515843
Nuclear repulsion energy	244.830445

Atom	x (Å)	y (Å)	z (Å)
C1	-0.189	1.437	0.000
C2	-0.919	-1.288	0.000
C3	0.291	0.631	1.225
C4	0.291	0.631	-1.225
C5	0.291	-0.813	0.753
C6	0.291	-0.813	-0.753
H7	-1.110	-2.356	0.000
H8	-1.820	-0.678	0.000
H9	-1.282	1.508	0.000
H10	0.195	2.461	0.000
H11	-0.345	0.797	2.101
H12	-0.345	0.797	-2.101
H13	1.313	0.920	-1.498
H14	1.313	0.920	1.498
H15	0.870	-1.543	1.310
H16	0.870	-1.543	-1.310

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8211	1.5430	1.5430	2.4211	2.4211	3.9035	2.6706	1.0946	1.0933	2.2022	2.2022	2.1835	2.1835	3.4238	3.4238
C2	2.8211		2.5786	2.5786	1.5025	1.5025	1.0852	1.0877	2.8186	3.9106	3.0154	3.0154	3.4787	3.4787	2.2324	2.2324
C3	1.5430	2.5786		2.4499	1.5198	2.4491	3.5199	2.7697	2.1776	2.2037	1.0954	3.3906	2.9223	1.0964	2.2521	3.3898
C4	1.5430	2.5786	2.4499		2.4491	1.5198	3.5199	2.7697	2.1776	2.2037	3.3906	1.0954	1.0964	2.9223	3.3898	2.2521
C5	2.4211	1.5025	1.5198	2.4491		1.5055	2.2162	2.2455	2.9028	3.3608	2.1946	3.3382	3.0186	2.1455	1.0857	2.2635
C6	2.4211	1.5025	2.4491	1.5198	1.5055		2.2162	2.2455	2.9028	3.3608	3.3382	2.1946	2.1455	3.0186	2.2635	1.0857
H7	3.9035	1.0852	3.5199	3.5199	2.2162	2.2162		1.8222	3.8673	4.9905	3.8658	3.8658	4.3415	4.3415	2.5097	2.5097
H8	2.6706	1.0877	2.7697	2.7697	2.2455	2.2455	1.8222		2.2505	3.7296	2.9609	2.9609	3.8226	3.8226	3.1147	3.1147
H9	1.0946	2.8186	2.1776	2.1776	2.9028	2.9028	3.8673	2.2505		1.7576	2.4080	2.4080	3.0530	3.0530	3.9565	3.9565
H10	1.0933	3.9106	2.2037	2.2037	3.3608	3.3608	4.9905	3.7296	1.7576		2.7340	2.7340	2.4222	2.4222	4.2668	4.2668
H11	2.2022	3.0154	1.0954	3.3906	2.1946	3.3382	3.8658	2.9609	2.4080	2.7340		4.2028	3.9643	1.7687	2.7531	4.3117
H12	2.2022	3.0154	3.3906	1.0954	3.3382	2.1946	3.8658	2.9609	2.4080	2.7340	4.2028		1.7687	3.9643	4.3117	2.7531
H13	2.1835	3.4787	2.9223	1.0964	3.0186	2.1455	4.3415	3.8226	3.0530	2.4222	3.9643	1.7687		2.9951	3.7613	2.5100
H14	2.1835	3.4787	1.0964	2.9223	2.1455	3.0186	4.3415	3.8226	3.0530	2.4222	1.7687	3.9643	2.9951		2.5100	3.7613
H15	3.4238	2.2324	2.2521	3.3898	1.0857	2.2635	2.5097	3.1147	3.9565	4.2668	2.7531	4.3117	3.7613	2.5100		2.6201
H16	3.4238	2.2324	3.3898	2.2521	2.2635	1.0857	2.5097	3.1147	3.9565	4.2668	4.3117	2.7531	2.5100	3.7613	2.6201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.464	C1	C3	H11	112.051
C1	C3	H14	110.498	C1	C4	C6	104.464
C1	C4	H12	112.051	C1	C4	H13	110.498
C2	C5	C3	117.120	C2	C5	C6	59.934
C2	C5	H15	118.311	C2	C6	C4	117.120
C2	C6	C5	59.934	C2	C6	H16	118.311
C3	C1	C4	105.102	C3	C1	H9	110.137
C3	C1	H10	112.305	C3	C5	C6	108.101
C3	C5	H15	118.674	C4	C1	H9	110.137
C4	C1	H10	112.305	C4	C6	C5	108.101
C4	C6	H16	118.674	C5	C2	C6	60.133
C5	C2	H7	116.916	C5	C2	H8	119.337
C5	C3	H11	113.102	C5	C3	H14	109.112
C5	C6	H16	120.884	C6	C2	H7	116.916
C6	C2	H8	119.337	C6	C4	H12	113.102
C6	C4	H13	109.112	C6	C5	H15	120.884
H7	C2	H8	113.982	H9	C1	H10	106.894
H11	C3	H14	107.600	H12	C4	H13	107.600

Number	Element	Mulliken
1	C	-0.351
2	C	-0.354
3	C	-0.282
4	C	-0.282
5	C	-0.165
6	C	-0.165
7	H	0.169
8	H	0.163
9	H	0.158
10	H	0.161
11	H	0.157
12	H	0.157
13	H	0.154
14	H	0.154
15	H	0.163
16	H	0.163

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

using model chemistry: M06-2X/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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	x	y	z
x	8.029	0.292	0.000
y	0.292	8.897	0.000
z	0.000	0.000	8.481

<r²>	141.087
(<r²>)^1/2	11.878

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

using model chemistry: M06-2X/6-31G*

States and conformations

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