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	hartrees
Energy at 0K	-234.422617
Energy at 298.15K
HF Energy	-234.422617
Nuclear repulsion energy	245.149413

Atom	x (Å)	y (Å)	z (Å)
C1	-0.183	1.437	0.000
C2	-0.919	-1.290	0.000
C3	0.289	0.630	1.223
C4	0.289	0.630	-1.223
C5	0.289	-0.810	0.753
C6	0.289	-0.810	-0.753
H7	-1.105	-2.359	0.000
H8	-1.822	-0.686	0.000
H9	-1.274	1.516	0.000
H10	0.207	2.457	0.000
H11	-0.347	0.797	2.098
H12	-0.347	0.797	-2.098
H13	1.310	0.916	-1.500
H14	1.310	0.916	1.500
H15	0.870	-1.538	1.310
H16	0.870	-1.538	-1.310

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8246	1.5390	1.5390	2.4165	2.4165	3.9058	2.6820	1.0935	1.0924	2.1991	2.1991	2.1798	2.1798	3.4165	3.4165
C2	2.8246		2.5775	2.5775	1.5021	1.5021	1.0844	1.0861	2.8286	3.9130	3.0139	3.0139	3.4764	3.4764	2.2308	2.2308
C3	1.5390	2.5775		2.4453	1.5155	2.4448	3.5176	2.7722	2.1731	2.1997	1.0946	3.3847	2.9217	1.0957	2.2462	3.3838
C4	1.5390	2.5775	2.4453		2.4448	1.5155	3.5176	2.7722	2.1731	2.1997	3.3847	1.0946	1.0957	2.9217	3.3838	2.2462
C5	2.4165	1.5021	1.5155	2.4448		1.5051	2.2153	2.2445	2.9020	3.3541	2.1904	3.3334	3.0159	2.1402	1.0847	2.2624
C6	2.4165	1.5021	2.4448	1.5155	1.5051		2.2153	2.2445	2.9020	3.3541	3.3334	2.1904	2.1402	3.0159	2.2624	1.0847
H7	3.9058	1.0844	3.5176	3.5176	2.2153	2.2153		1.8192	3.8783	4.9913	3.8643	3.8643	4.3365	4.3365	2.5080	2.5080
H8	2.6820	1.0861	2.7722	2.7722	2.2445	2.2445	1.8192		2.2696	3.7414	2.9623	2.9623	3.8244	3.8244	3.1121	3.1121
H9	1.0935	2.8286	2.1731	2.1731	2.9020	2.9020	3.8783	2.2696		1.7546	2.4032	2.4032	3.0475	3.0475	3.9543	3.9543
H10	1.0924	3.9130	2.1997	2.1997	3.3541	3.3541	4.9913	3.7414	1.7546		2.7318	2.7318	2.4172	2.4172	4.2561	4.2561
H11	2.1991	3.0139	1.0946	3.3847	2.1904	3.3334	3.8643	2.9623	2.4032	2.7318		4.1951	3.9626	1.7656	2.7483	4.3059
H12	2.1991	3.0139	3.3847	1.0946	3.3334	2.1904	3.8643	2.9623	2.4032	2.7318	4.1951		1.7656	3.9626	4.3059	2.7483
H13	2.1798	3.4764	2.9217	1.0957	3.0159	2.1402	4.3365	3.8244	3.0475	2.4172	3.9626	1.7656		2.9999	3.7560	2.5000
H14	2.1798	3.4764	1.0957	2.9217	2.1402	3.0159	4.3365	3.8244	3.0475	2.4172	1.7656	3.9626	2.9999		2.5000	3.7560
H15	3.4165	2.2308	2.2462	3.3838	1.0847	2.2624	2.5080	3.1121	3.9543	4.2561	2.7483	4.3059	3.7560	2.5000		2.6191
H16	3.4165	2.2308	3.3838	2.2462	2.2624	1.0847	2.5080	3.1121	3.9543	4.2561	4.3059	2.7483	2.5000	3.7560	2.6191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.581	C1	C3	H11	112.132
C1	C3	H14	110.523	C1	C4	C6	104.581
C1	C4	H12	112.132	C1	C4	H13	110.523
C2	C5	C3	117.332	C2	C5	C6	59.935
C2	C5	H15	118.272	C2	C6	C4	117.332
C2	C6	C5	59.935	C2	C6	H16	118.272
C3	C1	C4	105.205	C3	C1	H9	110.128
C3	C1	H10	112.323	C3	C5	C6	108.071
C3	C5	H15	118.567	C4	C1	H9	110.128
C4	C1	H10	112.323	C4	C6	C5	108.071
C4	C6	H16	118.567	C5	C2	C6	60.130
C5	C2	H7	116.926	C5	C2	H8	119.403
C5	C3	H11	113.121	C5	C3	H14	109.038
C5	C6	H16	120.899	C6	C2	H7	116.926
C6	C2	H8	119.403	C6	C4	H12	113.121
C6	C4	H13	109.038	C6	C5	H15	120.899
H7	C2	H8	113.890	H9	C1	H10	106.776
H11	C3	H14	107.436	H12	C4	H13	107.436

Number	Element	Mulliken
1	C	-0.354
2	C	-0.212
3	C	-0.152
4	C	-0.152
5	C	-0.213
6	C	-0.213
7	H	0.134
8	H	0.131
9	H	0.137
10	H	0.133
11	H	0.129
12	H	0.129
13	H	0.127
14	H	0.127
15	H	0.124
16	H	0.124

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

using model chemistry: HSEh1PBE/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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	x	y	z	Total
	0.176	0.067	0.000	0.188
CHELPG
AIM
ESP

	x	y	z
x	8.581	0.302	0.000
y	0.302	9.643	0.000
z	0.000	0.000	9.287

<r²>	140.995
(<r²>)^1/2	11.874

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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