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	hartrees
Energy at 0K	-234.380752
Energy at 298.15K
HF Energy	-234.380752
Nuclear repulsion energy	244.951581

Atom	x (Å)	y (Å)	z (Å)
C1	-0.183	1.438	0.000
C2	-0.919	-1.292	0.000
C3	0.289	0.631	1.224
C4	0.289	0.631	-1.224
C5	0.289	-0.811	0.753
C6	0.289	-0.811	-0.753
H7	-1.105	-2.362	0.000
H8	-1.824	-0.689	0.000
H9	-1.275	1.519	0.000
H10	0.207	2.460	0.000
H11	-0.347	0.799	2.100
H12	-0.347	0.799	-2.100
H13	1.311	0.917	-1.501
H14	1.311	0.917	1.501
H15	0.870	-1.539	1.312
H16	0.870	-1.539	-1.312

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8277	1.5402	1.5402	2.4185	2.4185	3.9105	2.6868	1.0949	1.0938	2.2014	2.2014	2.1815	2.1815	3.4200	3.4200
C2	2.8277		2.5797	2.5797	1.5026	1.5026	1.0861	1.0878	2.8330	3.9174	3.0181	3.0181	3.4794	3.4794	2.2327	2.2327
C3	1.5402	2.5797		2.4474	1.5169	2.4467	3.5213	2.7762	2.1754	2.2022	1.0959	3.3882	2.9243	1.0968	2.2484	3.3879
C4	1.5402	2.5797	2.4474		2.4467	1.5169	3.5213	2.7762	2.1754	2.2022	3.3882	1.0959	1.0968	2.9243	3.3879	2.2484
C5	2.4185	1.5026	1.5169	2.4467		1.5058	2.2174	2.2470	2.9053	3.3576	2.1934	3.3370	3.0186	2.1425	1.0866	2.2655
C6	2.4185	1.5026	2.4467	1.5169	1.5058		2.2174	2.2470	2.9053	3.3576	3.3370	2.1934	2.1425	3.0186	2.2655	1.0866
H7	3.9105	1.0861	3.5213	3.5213	2.2174	2.2174		1.8209	3.8843	4.9974	3.8698	3.8698	4.3409	4.3409	2.5104	2.5104
H8	2.6868	1.0878	2.7762	2.7762	2.2470	2.2470	1.8209		2.2749	3.7475	2.9676	2.9676	3.8294	3.8294	3.1155	3.1155
H9	1.0949	2.8330	2.1754	2.1754	2.9053	2.9053	3.8843	2.2749		1.7559	2.4062	2.4062	3.0503	3.0503	3.9591	3.9591
H10	1.0938	3.9174	2.2022	2.2022	3.3576	3.3576	4.9974	3.7475	1.7559		2.7344	2.7344	2.4196	2.4196	4.2609	4.2609
H11	2.2014	3.0181	1.0959	3.3882	2.1934	3.3370	3.8698	2.9676	2.4062	2.7344		4.2001	3.9666	1.7668	2.7512	4.3118
H12	2.2014	3.0181	3.3882	1.0959	3.3370	2.1934	3.8698	2.9676	2.4062	2.7344	4.2001		1.7668	3.9666	4.3118	2.7512
H13	2.1815	3.4794	2.9243	1.0968	3.0186	2.1425	4.3409	3.8294	3.0503	2.4196	3.9666	1.7668		3.0027	3.7606	2.5024
H14	2.1815	3.4794	1.0968	2.9243	2.1425	3.0186	4.3409	3.8294	3.0503	2.4196	1.7668	3.9666	3.0027		2.5024	3.7606
H15	3.4200	2.2327	2.2484	3.3879	1.0866	2.2655	2.5104	3.1155	3.9591	4.2609	2.7512	4.3118	3.7606	2.5024		2.6243
H16	3.4200	2.2327	3.3879	2.2484	2.2655	1.0866	2.5104	3.1155	3.9591	4.2609	4.3118	2.7512	2.5024	3.7606	2.6243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.576	C1	C3	H11	112.149
C1	C3	H14	110.505	C1	C4	C6	104.576
C1	C4	H12	112.149	C1	C4	H13	110.505
C2	C5	C3	117.374	C2	C5	C6	59.930
C2	C5	H15	118.260	C2	C6	C4	117.374
C2	C6	C5	59.930	C2	C6	H16	118.260
C3	C1	C4	105.215	C3	C1	H9	110.141
C3	C1	H10	112.347	C3	C5	C6	108.080
C3	C5	H15	118.506	C4	C1	H9	110.141
C4	C1	H10	112.347	C4	C6	C5	108.080
C4	C6	H16	118.506	C5	C2	C6	60.141
C5	C2	H7	116.949	C5	C2	H8	119.461
C5	C3	H11	113.185	C5	C3	H14	109.050
C5	C6	H16	120.975	C6	C2	H7	116.949
C6	C2	H8	119.461	C6	C4	H12	113.185
C6	C4	H13	109.050	C6	C5	H15	120.975
H7	C2	H8	113.788	H9	C1	H10	106.695
H11	C3	H14	107.369	H12	C4	H13	107.369

Number	Element	Mulliken
1	C	-0.296
2	C	-0.269
3	C	-0.211
4	C	-0.211
5	C	-0.137
6	C	-0.137
7	H	0.132
8	H	0.128
9	H	0.131
10	H	0.127
11	H	0.124
12	H	0.124
13	H	0.125
14	H	0.125
15	H	0.123
16	H	0.123

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

using model chemistry: HSEh1PBE/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	Total
	0.160	0.079	0.000	0.179
CHELPG
AIM
ESP

	x	y	z
x	8.083	0.296	0.000
y	0.296	9.049	0.000
z	0.000	0.000	8.598

<r²>	140.846
(<r²>)^1/2	11.868

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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