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	hartrees
Energy at 0K	-234.522942
Energy at 298.15K
HF Energy	-234.522942
Nuclear repulsion energy	245.463865

Atom	x (Å)	y (Å)	z (Å)
C1	-0.194	1.428	0.000
C2	-0.918	-1.282	0.000
C3	0.292	0.630	1.221
C4	0.292	0.630	-1.221
C5	0.292	-0.809	0.752
C6	0.292	-0.809	-0.752
H7	-1.111	-2.349	0.000
H8	-1.816	-0.672	0.000
H9	-1.285	1.488	0.000
H10	0.179	2.454	0.000
H11	-0.339	0.795	2.098
H12	-0.339	0.795	-2.098
H13	1.313	0.920	-1.490
H14	1.313	0.920	1.490
H15	0.871	-1.538	1.309
H16	0.871	-1.538	-1.309

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8051	1.5374	1.5374	2.4095	2.4095	3.8865	2.6527	1.0928	1.0916	2.1965	2.1965	2.1792	2.1792	3.4119	3.4119
C2	2.8051		2.5713	2.5713	1.5009	1.5009	1.0840	1.0859	2.7945	3.8937	3.0086	3.0086	3.4707	3.4707	2.2308	2.2308
C3	1.5374	2.5713		2.4417	1.5138	2.4416	3.5121	2.7619	2.1714	2.1976	1.0936	3.3827	2.9110	1.0945	2.2452	3.3811
C4	1.5374	2.5713	2.4417		2.4416	1.5138	3.5121	2.7619	2.1714	2.1976	3.3827	1.0936	1.0945	2.9110	3.3811	2.2452
C5	2.4095	1.5009	1.5138	2.4416		1.5030	2.2148	2.2420	2.8861	3.3503	2.1876	3.3306	3.0093	2.1395	1.0844	2.2605
C6	2.4095	1.5009	2.4416	1.5138	1.5030		2.2148	2.2420	2.8861	3.3503	3.3306	2.1876	2.1395	3.0093	2.2605	1.0844
H7	3.8865	1.0840	3.5121	3.5121	2.2148	2.2148		1.8192	3.8407	4.9729	3.8576	3.8576	4.3339	4.3339	2.5098	2.5098
H8	2.6527	1.0859	2.7619	2.7619	2.2420	2.2420	1.8192		2.2236	3.7075	2.9550	2.9550	3.8132	3.8132	3.1112	3.1112
H9	1.0928	2.7945	2.1714	2.1714	2.8861	2.8861	3.8407	2.2236		1.7539	2.4037	2.4037	3.0484	3.0484	3.9389	3.9389
H10	1.0916	3.8937	2.1976	2.1976	3.3503	3.3503	4.9729	3.7075	1.7539		2.7246	2.7246	2.4205	2.4205	4.2571	4.2571
H11	2.1965	3.0086	1.0936	3.3827	2.1876	3.3306	3.8576	2.9550	2.4037	2.7246		4.1965	3.9523	1.7651	2.7437	4.3026
H12	2.1965	3.0086	3.3827	1.0936	3.3306	2.1876	3.8576	2.9550	2.4037	2.7246	4.1965		1.7651	3.9523	4.3026	2.7437
H13	2.1792	3.4707	2.9110	1.0945	3.0093	2.1395	4.3339	3.8132	3.0484	2.4205	3.9523	1.7651		2.9799	3.7508	2.5037
H14	2.1792	3.4707	1.0945	2.9110	2.1395	3.0093	4.3339	3.8132	3.0484	2.4205	1.7651	3.9523	2.9799		2.5037	3.7508
H15	3.4119	2.2308	2.2452	3.3811	1.0844	2.2605	2.5098	3.1112	3.9389	4.2571	2.7437	4.3026	3.7508	2.5037		2.6175
H16	3.4119	2.2308	3.3811	2.2452	2.2605	1.0844	2.5098	3.1112	3.9389	4.2571	4.3026	2.7437	2.5037	3.7508	2.6175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.310	C1	C3	H11	112.092
C1	C3	H14	110.656	C1	C4	C6	104.310
C1	C4	H12	112.092	C1	C4	H13	110.656
C2	C5	C3	117.066	C2	C5	C6	59.953
C2	C5	H15	118.400	C2	C6	C4	117.066
C2	C6	C5	59.953	C2	C6	H16	118.400
C3	C1	C4	105.137	C3	C1	H9	110.149
C3	C1	H10	112.313	C3	C5	C6	108.061
C3	C5	H15	118.640	C4	C1	H9	110.149
C4	C1	H10	112.313	C4	C6	C5	108.061
C4	C6	H16	118.640	C5	C2	C6	60.094
C5	C2	H7	117.008	C5	C2	H8	119.292
C5	C3	H11	113.076	C5	C3	H14	109.161
C5	C6	H16	120.924	C6	C2	H7	117.008
C6	C2	H8	119.292	C6	C4	H12	113.076
C6	C4	H13	109.161	C6	C5	H15	120.924
H7	C2	H8	113.940	H9	C1	H10	106.822
H11	C3	H14	107.541	H12	C4	H13	107.541

Number	Element	Mulliken
1	C	-0.272
2	C	-0.410
3	C	-0.431
4	C	-0.431
5	C	0.001
6	C	0.001
7	H	0.156
8	H	0.148
9	H	0.159
10	H	0.158
11	H	0.157
12	H	0.157
13	H	0.155
14	H	0.155
15	H	0.149
16	H	0.149

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

using model chemistry: B1B95/6-31+G**

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
	0.189	0.086	0.000	0.208
CHELPG
AIM
ESP

	x	y	z
x	8.847	0.324	0.000
y	0.324	9.817	0.000
z	0.000	0.000	9.628

<r²>	140.658
(<r²>)^1/2	11.860

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

using model chemistry: B1B95/6-31+G**

States and conformations

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