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	hartrees
Energy at 0K	-230.260794
Energy at 298.15K
HF Energy	-230.260794
Nuclear repulsion energy	243.831166

Atom	x (Å)	y (Å)	z (Å)
C1	-0.145	1.466	0.000
C2	-0.933	-1.297	0.000
C3	0.283	0.632	1.240
C4	0.283	0.632	-1.240
C5	0.283	-0.825	0.753
C6	0.283	-0.825	-0.753
H7	-1.127	-2.361	0.000
H8	-1.831	-0.695	0.000
H9	-1.224	1.599	0.000
H10	0.306	2.455	0.000
H11	-0.378	0.798	2.090
H12	-0.378	0.798	-2.090
H13	1.292	0.905	-1.547
H14	1.292	0.905	1.547
H15	0.859	-1.550	1.315
H16	0.859	-1.550	-1.315

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8731	1.5548	1.5548	2.4492	2.4492	3.9511	2.7404	1.0876	1.0875	2.2064	2.2064	2.1848	2.1848	3.4403	3.4403
C2	2.8731		2.5958	2.5958	1.5059	1.5059	1.0818	1.0811	2.9110	3.9517	3.0112	3.0112	3.4914	3.4914	2.2369	2.2369
C3	1.5548	2.5958		2.4808	1.5365	2.4689	3.5336	2.7869	2.1788	2.2055	1.0892	3.3994	2.9768	1.0891	2.2584	3.4095
C4	1.5548	2.5958	2.4808		2.4689	1.5365	3.5336	2.7869	2.1788	2.2055	3.3994	1.0892	1.0891	2.9768	3.4095	2.2584
C5	2.4492	1.5059	1.5365	2.4689		1.5055	2.2169	2.2476	2.9525	3.3659	2.2047	3.3397	3.0493	2.1542	1.0834	2.2657
C6	2.4492	1.5059	2.4689	1.5365	1.5055		2.2169	2.2476	2.9525	3.3659	3.3397	2.2047	2.1542	3.0493	2.2657	1.0834
H7	3.9511	1.0818	3.5336	3.5336	2.2169	2.2169		1.8089	3.9618	5.0254	3.8617	3.8617	4.3486	4.3486	2.5161	2.5161
H8	2.7404	1.0811	2.7869	2.7869	2.2476	2.2476	1.8089		2.3729	3.8065	2.9510	2.9510	3.8343	3.8343	3.1137	3.1137
H9	1.0876	2.9110	2.1788	2.1788	2.9525	2.9525	3.9618	2.3729		1.7537	2.3930	2.3930	3.0345	3.0345	3.9989	3.9989
H10	1.0875	3.9517	2.2055	2.2055	3.3659	3.3659	5.0254	3.8065	1.7537		2.7535	2.7535	2.4022	2.4022	4.2523	4.2523
H11	2.2064	3.0112	1.0892	3.3994	2.2047	3.3397	3.8617	2.9510	2.3930	2.7535		4.1801	4.0034	1.7592	2.7654	4.3175
H12	2.2064	3.0112	3.3994	1.0892	3.3397	2.2047	3.8617	2.9510	2.3930	2.7535	4.1801		1.7592	4.0034	4.3175	2.7654
H13	2.1848	3.4914	2.9768	1.0891	3.0493	2.1542	4.3486	3.8343	3.0345	2.4022	4.0034	1.7592		3.0939	3.7955	2.5037
H14	2.1848	3.4914	1.0891	2.9768	2.1542	3.0493	4.3486	3.8343	3.0345	2.4022	1.7592	4.0034	3.0939		2.5037	3.7955
H15	3.4403	2.2369	2.2584	3.4095	1.0834	2.2657	2.5161	3.1137	3.9989	4.2523	2.7654	4.3175	3.7955	2.5037		2.6300
H16	3.4403	2.2369	3.4095	2.2584	2.2657	1.0834	2.5161	3.1137	3.9989	4.2523	4.3175	2.7654	2.5037	3.7955	2.6300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.799	C1	C3	H11	111.918
C1	C3	H14	110.209	C1	C4	C6	104.799
C1	C4	H12	111.918	C1	C4	H13	110.209
C2	C5	C3	117.118	C2	C5	C6	60.010
C2	C5	H15	118.601	C2	C6	C4	117.118
C2	C6	C5	60.010	C2	C6	H16	118.601
C3	C1	C4	105.840	C3	C1	H9	109.823
C3	C1	H10	111.950	C3	C5	C6	108.504
C3	C5	H15	118.046	C4	C1	H9	109.823
C4	C1	H10	111.950	C4	C6	C5	108.504
C4	C6	H16	118.046	C5	C2	C6	59.980
C5	C2	H7	116.952	C5	C2	H8	119.732
C5	C3	H11	113.105	C5	C3	H14	109.066
C5	C6	H16	121.262	C6	C2	H7	116.952
C6	C2	H8	119.732	C6	C4	H12	113.105
C6	C4	H13	109.066	C6	C5	H15	121.262
H7	C2	H8	113.513	H9	C1	H10	107.461
H11	C3	H14	107.717	H12	C4	H13	107.717

Number	Element	Mulliken
1	C	-0.104
2	C	-0.145
3	C	-0.099
4	C	-0.099
5	C	-0.067
6	C	-0.067
7	H	0.065
8	H	0.063
9	H	0.053
10	H	0.055
11	H	0.055
12	H	0.055
13	H	0.055
14	H	0.055
15	H	0.061
16	H	0.061

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

using model chemistry: HF/STO-3G

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
	0.120	0.107	0.000	0.160
CHELPG
AIM
ESP

	x	y	z
x	4.283	0.193	0.000
y	0.193	4.662	0.000
z	0.000	0.000	4.485

<r²>	141.574
(<r²>)^1/2	11.898

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

using model chemistry: HF/STO-3G

States and conformations

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