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	hartrees
Energy at 0K	-232.922893
Energy at 298.15K
HF Energy	-232.922893
Nuclear repulsion energy	243.657001

Atom	x (Å)	y (Å)	z (Å)
C1	-0.156	1.463	0.000
C2	-0.933	-1.315	0.000
C3	0.286	0.634	1.236
C4	0.286	0.634	-1.236
C5	0.286	-0.817	0.759
C6	0.286	-0.817	-0.759
H7	-1.115	-2.372	0.000
H8	-1.836	-0.734	0.000
H9	-1.232	1.591	0.000
H10	0.272	2.457	0.000
H11	-0.360	0.800	2.091
H12	-0.360	0.800	-2.091
H13	1.293	0.909	-1.535
H14	1.293	0.909	1.535
H15	0.861	-1.529	1.317
H16	0.861	-1.529	-1.317

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8845	1.5527	1.5527	2.4430	2.4430	3.9534	2.7652	1.0836	1.0827	2.2033	2.2033	2.1824	2.1824	3.4233	3.4233
C2	2.8845		2.6101	2.6101	1.5200	1.5200	1.0731	1.0733	2.9211	3.9601	3.0294	3.0294	3.5013	3.5013	2.2357	2.2357
C3	1.5527	2.6101		2.4727	1.5273	2.4670	3.5396	2.8106	2.1790	2.2030	1.0843	3.3939	2.9618	1.0859	2.2394	3.3952
C4	1.5527	2.6101	2.4727		2.4670	1.5273	3.5396	2.8106	2.1790	2.2030	3.3939	1.0843	1.0859	2.9618	3.3952	2.2394
C5	2.4430	1.5200	1.5273	2.4670		1.5179	2.2266	2.2546	2.9456	3.3609	2.1926	3.3401	3.0425	2.1438	1.0719	2.2686
C6	2.4430	1.5200	2.4670	1.5273	1.5179		2.2266	2.2546	2.9456	3.3609	3.3401	2.1926	2.1438	3.0425	2.2686	1.0719
H7	3.9534	1.0731	3.5396	3.5396	2.2266	2.2266		1.7903	3.9651	5.0250	3.8744	3.8744	4.3501	4.3501	2.5195	2.5195
H8	2.7652	1.0733	2.8106	2.8106	2.2546	2.2546	1.7903		2.4018	3.8245	2.9842	2.9842	3.8527	3.8527	3.1043	3.1043
H9	1.0836	2.9211	2.1790	2.1790	2.9456	2.9456	3.9651	2.4018		1.7361	2.3999	2.3999	3.0325	3.0325	3.9808	3.9808
H10	1.0827	3.9601	2.2030	2.2030	3.3609	3.3609	5.0250	3.8245	1.7361		2.7421	2.7421	2.4072	2.4072	4.2391	4.2391
H11	2.2033	3.0294	1.0843	3.3939	2.1926	3.3401	3.8744	2.9842	2.3999	2.7421		4.1828	3.9870	1.7470	2.7414	4.3048
H12	2.2033	3.0294	3.3939	1.0843	3.3401	2.1926	3.8744	2.9842	2.3999	2.7421	4.1828		1.7470	3.9870	4.3048	2.7414
H13	2.1824	3.5013	2.9618	1.0859	3.0425	2.1438	4.3501	3.8527	3.0325	2.4072	3.9870	1.7470		3.0707	3.7771	2.4858
H14	2.1824	3.5013	1.0859	2.9618	2.1438	3.0425	4.3501	3.8527	3.0325	2.4072	1.7470	3.9870	3.0707		2.4858	3.7771
H15	3.4233	2.2357	2.2394	3.3952	1.0719	2.2686	2.5195	3.1043	3.9808	4.2391	2.7414	4.3048	3.7771	2.4858		2.6338
H16	3.4233	2.2357	3.3952	2.2394	2.2686	1.0719	2.5195	3.1043	3.9808	4.2391	4.3048	2.7414	2.4858	3.7771	2.6338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.965	C1	C3	H11	112.121
C1	C3	H14	110.349	C1	C4	C6	104.965
C1	C4	H12	112.121	C1	C4	H13	110.349
C2	C5	C3	117.862	C2	C5	C6	60.045
C2	C5	H15	118.188	C2	C6	C4	117.862
C2	C6	C5	60.045	C2	C6	H16	118.188
C3	C1	C4	105.546	C3	C1	H9	110.218
C3	C1	H10	112.191	C3	C5	C6	108.215
C3	C5	H15	117.929	C4	C1	H9	110.218
C4	C1	H10	112.191	C4	C6	C5	108.215
C4	C6	H16	117.929	C5	C2	C6	59.910
C5	C2	H7	117.297	C5	C2	H8	119.794
C5	C3	H11	113.096	C5	C3	H14	109.079
C5	C6	H16	121.367	C6	C2	H7	117.297
C6	C2	H8	119.794	C6	C4	H12	113.096
C6	C4	H13	109.079	C6	C5	H15	121.367
H7	C2	H8	113.047	H9	C1	H10	106.531
H11	C3	H14	107.226	H12	C4	H13	107.226

Number	Element	Mulliken
1	C	-0.401
2	C	-0.493
3	C	-0.347
4	C	-0.347
5	C	-0.157
6	C	-0.157
7	H	0.226
8	H	0.177
9	H	0.179
10	H	0.190
11	H	0.180
12	H	0.180
13	H	0.171
14	H	0.171
15	H	0.214
16	H	0.214

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

using model chemistry: HF/SDD

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
	0.211	0.157	0.000	0.263
CHELPG
AIM
ESP

	x	y	z
x	7.752	0.351	0.000
y	0.351	8.413	0.000
z	0.000	0.000	8.419

<r²>	143.203
(<r²>)^1/2	11.967

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

using model chemistry: HF/SDD

States and conformations

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