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	hartrees
Energy at 0K	-233.039448
Energy at 298.15K
HF Energy	-233.039448
Nuclear repulsion energy	245.169404

Atom	x (Å)	y (Å)	z (Å)
C1	-0.169	1.449	0.000
C2	-0.920	-1.300	0.000
C3	0.285	0.631	1.225
C4	0.285	0.631	-1.225
C5	0.285	-0.813	0.751
C6	0.285	-0.813	-0.751
H7	-1.098	-2.361	0.000
H8	-1.822	-0.713	0.000
H9	-1.248	1.558	0.000
H10	0.242	2.452	0.000
H11	-0.350	0.798	2.089
H12	-0.350	0.798	-2.089
H13	1.296	0.909	-1.512
H14	1.296	0.909	1.512
H15	0.861	-1.533	1.305
H16	0.861	-1.533	-1.305

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8498	1.5414	1.5414	2.4262	2.4262	3.9217	2.7220	1.0844	1.0839	2.1958	2.1958	2.1732	2.1732	3.4145	3.4145
C2	2.8498		2.5846	2.5846	1.5010	1.5010	1.0759	1.0765	2.8762	3.9279	3.0149	3.0149	3.4749	3.4749	2.2199	2.2199
C3	1.5414	2.5846		2.4497	1.5195	2.4471	3.5162	2.7835	2.1700	2.1954	1.0858	3.3785	2.9305	1.0870	2.2411	3.3787
C4	1.5414	2.5846	2.4497		2.4471	1.5195	3.5162	2.7835	2.1700	2.1954	3.3785	1.0858	1.0870	2.9305	3.3787	2.2411
C5	2.4262	1.5010	1.5195	2.4471		1.5020	2.2074	2.2394	2.9210	3.3507	2.1884	3.3264	3.0178	2.1368	1.0760	2.2534
C6	2.4262	1.5010	2.4471	1.5195	1.5020		2.2074	2.2394	2.9210	3.3507	3.3264	2.1884	2.1368	3.0178	2.2534	1.0760
H7	3.9217	1.0759	3.5162	3.5162	2.2074	2.2074		1.8002	3.9213	4.9962	3.8603	3.8603	4.3254	4.3254	2.4946	2.4946
H8	2.7220	1.0765	2.7835	2.7835	2.2394	2.2394	1.8002		2.3421	3.7788	2.9689	2.9689	3.8263	3.8263	3.0944	3.0944
H9	1.0844	2.8762	2.1700	2.1700	2.9210	2.9210	3.9213	2.3421		1.7376	2.3972	2.3972	3.0293	3.0293	3.9628	3.9628
H10	1.0839	3.9279	2.1954	2.1954	3.3507	3.3507	4.9962	3.7788	1.7376		2.7299	2.7299	2.4038	2.4038	4.2395	4.2395
H11	2.1958	3.0149	1.0858	3.3785	2.1884	3.3264	3.8603	2.9689	2.3972	2.7299		4.1783	3.9610	1.7484	2.7419	4.2922
H12	2.1958	3.0149	3.3785	1.0858	3.3264	2.1884	3.8603	2.9689	2.3972	2.7299	4.1783		1.7484	3.9610	4.2922	2.7419
H13	2.1732	3.4749	2.9305	1.0870	3.0178	2.1368	4.3254	3.8263	3.0293	2.4038	3.9610	1.7484		3.0234	3.7536	2.4897
H14	2.1732	3.4749	1.0870	2.9305	2.1368	3.0178	4.3254	3.8263	3.0293	2.4038	1.7484	3.9610	3.0234		2.4897	3.7536
H15	3.4145	2.2199	2.2411	3.3787	1.0760	2.2534	2.4946	3.0944	3.9628	4.2395	2.7419	4.2922	3.7536	2.4897		2.6098
H16	3.4145	2.2199	3.3787	2.2411	2.2534	1.0760	2.4946	3.0944	3.9628	4.2395	4.2922	2.7419	2.4897	3.7536	2.6098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.866	C1	C3	H11	112.241
C1	C3	H14	110.346	C1	C4	C6	104.866
C1	C4	H12	112.241	C1	C4	H13	110.346
C2	C5	C3	117.670	C2	C5	C6	59.978
C2	C5	H15	118.019	C2	C6	C4	117.670
C2	C6	C5	59.978	C2	C6	H16	118.019
C3	C1	C4	105.244	C3	C1	H9	110.248
C3	C1	H10	112.321	C3	C5	C6	108.170
C3	C5	H15	118.415	C4	C1	H9	110.248
C4	C1	H10	112.321	C4	C6	C5	108.170
C4	C6	H16	118.415	C5	C2	C6	60.044
C5	C2	H7	116.919	C5	C2	H8	119.740
C5	C3	H11	113.228	C5	C3	H14	108.998
C5	C6	H16	120.984	C6	C2	H7	116.919
C6	C2	H8	119.740	C6	C4	H12	113.228
C6	C4	H13	108.998	C6	C5	H15	120.984
H7	C2	H8	113.519	H9	C1	H10	106.518
H11	C3	H14	107.153	H12	C4	H13	107.153

Number	Element	Mulliken
1	C	-0.490
2	C	-0.438
3	C	-0.353
4	C	-0.353
5	C	-0.249
6	C	-0.249
7	H	0.230
8	H	0.218
9	H	0.211
10	H	0.216
11	H	0.210
12	H	0.210
13	H	0.207
14	H	0.207
15	H	0.212
16	H	0.212

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

using model chemistry: HF/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
	0.184	0.057	0.000	0.193
CHELPG
AIM
ESP

	x	y	z
x	8.155	0.311	0.000
y	0.311	9.002	0.000
z	0.000	0.000	8.758

<r²>	141.600
(<r²>)^1/2	11.900

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

using model chemistry: HF/6-311G*

States and conformations

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