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	hartrees
Energy at 0K	-234.445449
Energy at 298.15K
HF Energy	-234.445449
Nuclear repulsion energy	244.586795

Atom	x (Å)	y (Å)	z (Å)
C1	-0.190	1.433	0.000
C2	-0.924	-1.287	0.000
C3	0.293	0.631	1.228
C4	0.293	0.631	-1.228
C5	0.293	-0.811	0.757
C6	0.293	-0.811	-0.757
H7	-1.123	-2.352	0.000
H8	-1.821	-0.678	0.000
H9	-1.282	1.499	0.000
H10	0.190	2.457	0.000
H11	-0.345	0.795	2.102
H12	-0.345	0.795	-2.102
H13	1.313	0.923	-1.503
H14	1.313	0.923	1.503
H15	0.873	-1.535	1.316
H16	0.873	-1.535	-1.316

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8170	1.5442	1.5442	2.4166	2.4166	3.8977	2.6678	1.0940	1.0922	2.2019	2.2019	2.1859	2.1859	3.4155	3.4155
C2	2.8170		2.5821	2.5821	1.5097	1.5097	1.0831	1.0845	2.8088	3.9060	3.0146	3.0146	3.4848	3.4848	2.2405	2.2405
C3	1.5442	2.5821		2.4562	1.5170	2.4531	3.5227	2.7734	2.1777	2.2029	1.0941	3.3944	2.9301	1.0956	2.2433	3.3910
C4	1.5442	2.5821	2.4562		2.4531	1.5170	3.5227	2.7734	2.1777	2.2029	3.3944	1.0941	1.0956	2.9301	3.3910	2.2433
C5	2.4166	1.5097	1.5170	2.4531		1.5131	2.2252	2.2494	2.8962	3.3558	2.1899	3.3401	3.0253	2.1454	1.0828	2.2707
C6	2.4166	1.5097	2.4531	1.5170	1.5131		2.2252	2.2494	2.8962	3.3558	3.3401	2.1899	2.1454	3.0253	2.2707	1.0828
H7	3.8977	1.0831	3.5227	3.5227	2.2252	2.2252		1.8130	3.8537	4.9845	3.8633	3.8633	4.3490	4.3490	2.5264	2.5264
H8	2.6678	1.0845	2.7734	2.7734	2.2494	2.2494	1.8130		2.2428	3.7246	2.9611	2.9611	3.8266	3.8266	3.1179	3.1179
H9	1.0940	2.8088	2.1777	2.1777	2.8962	2.8962	3.8537	2.2428		1.7561	2.4066	2.4066	3.0535	3.0535	3.9465	3.9465
H10	1.0922	3.9060	2.2029	2.2029	3.3558	3.3558	4.9845	3.7246	1.7561		2.7322	2.7322	2.4238	2.4238	4.2578	4.2578
H11	2.2019	3.0146	1.0941	3.3944	2.1899	3.3401	3.8633	2.9611	2.4066	2.7322		4.2036	3.9699	1.7666	2.7431	4.3118
H12	2.2019	3.0146	3.3944	1.0941	3.3401	2.1899	3.8633	2.9611	2.4066	2.7322	4.2036		1.7666	3.9699	4.3118	2.7431
H13	2.1859	3.4848	2.9301	1.0956	3.0253	2.1454	4.3490	3.8266	3.0535	2.4238	3.9699	1.7666		3.0068	3.7659	2.5032
H14	2.1859	3.4848	1.0956	2.9301	2.1454	3.0253	4.3490	3.8266	3.0535	2.4238	1.7666	3.9699	3.0068		2.5032	3.7659
H15	3.4155	2.2405	2.2433	3.3910	1.0828	2.2707	2.5264	3.1179	3.9465	4.2578	2.7431	4.3118	3.7659	2.5032		2.6327
H16	3.4155	2.2405	3.3910	2.2433	2.2707	1.0828	2.5264	3.1179	3.9465	4.2578	4.3118	2.7431	2.5032	3.7659	2.6327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.261	C1	C3	H11	112.020
C1	C3	H14	110.652	C1	C4	C6	104.261
C1	C4	H12	112.020	C1	C4	H13	110.652
C2	C5	C3	117.096	C2	C5	C6	59.926
C2	C5	H15	118.660	C2	C6	C4	117.096
C2	C6	C5	59.926	C2	C6	H16	118.660
C3	C1	C4	105.370	C3	C1	H9	110.095
C3	C1	H10	112.217	C3	C5	C6	108.109
C3	C5	H15	118.317	C4	C1	H9	110.095
C4	C1	H10	112.217	C4	C6	C5	108.109
C4	C6	H16	118.317	C5	C2	C6	60.149
C5	C2	H7	117.283	C5	C2	H8	119.334
C5	C3	H11	113.003	C5	C3	H14	109.340
C5	C6	H16	121.130	C6	C2	H7	117.283
C6	C2	H8	119.334	C6	C4	H12	113.003
C6	C4	H13	109.340	C6	C5	H15	121.130
H7	C2	H8	113.536	H9	C1	H10	106.883
H11	C3	H14	107.565	H12	C4	H13	107.565

Number	Element	Mulliken
1	C	-0.358
2	C	-0.310
3	C	-0.259
4	C	-0.259
5	C	-0.190
6	C	-0.190
7	H	0.161
8	H	0.158
9	H	0.160
10	H	0.157
11	H	0.154
12	H	0.154
13	H	0.154
14	H	0.154
15	H	0.157
16	H	0.157

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

using model chemistry: B1B95/6-31G

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
	0.174	0.097	0.000	0.199
CHELPG
AIM
ESP

	x	y	z
x	7.931	0.311	0.000
y	0.311	8.751	0.000
z	0.000	0.000	8.385

<r²>	141.141
(<r²>)^1/2	11.880

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

using model chemistry: B1B95/6-31G

States and conformations

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