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	hartrees
Energy at 0K	-234.301594
Energy at 298.15K
HF Energy	-234.301594
Nuclear repulsion energy	243.091569

Atom	x (Å)	y (Å)	z (Å)
C1	-0.177	1.453	0.000
C2	-0.925	-1.306	0.000
C3	0.289	0.635	1.233
C4	0.289	0.635	-1.233
C5	0.289	-0.817	0.758
C6	0.289	-0.817	-0.758
H7	-1.109	-2.385	0.000
H8	-1.842	-0.704	0.000
H9	-1.276	1.549	0.000
H10	0.228	2.478	0.000
H11	-0.356	0.806	2.114
H12	-0.356	0.806	-2.114
H13	1.318	0.921	-1.521
H14	1.318	0.921	1.521
H15	0.876	-1.549	1.323
H16	0.876	-1.549	-1.323

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8592	1.5515	1.5515	2.4382	2.4382	3.9503	2.7252	1.1033	1.1024	2.2180	2.2180	2.1976	2.1976	3.4456	3.4456
C2	2.8592		2.6009	2.6009	1.5131	1.5131	1.0947	1.0963	2.8767	3.9566	3.0415	3.0415	3.5075	3.5075	2.2481	2.2481
C3	1.5515	2.6009		2.4664	1.5275	2.4646	3.5497	2.8027	2.1921	2.2186	1.1047	3.4127	2.9535	1.1056	2.2633	3.4132
C4	1.5515	2.6009	2.4664		2.4646	1.5275	3.5497	2.8027	2.1921	2.2186	3.4127	1.1047	1.1056	2.9535	3.4132	2.2633
C5	2.4382	1.5131	1.5275	2.4646		1.5169	2.2342	2.2644	2.9362	3.3818	2.2100	3.3610	3.0448	2.1582	1.0952	2.2834
C6	2.4382	1.5131	2.4646	1.5275	1.5169		2.2342	2.2644	2.9362	3.3818	3.3610	2.2100	2.1582	3.0448	2.2834	1.0952
H7	3.9503	1.0947	3.5497	3.5497	2.2342	2.2342		1.8335	3.9379	5.0444	3.9008	3.9008	4.3742	4.3742	2.5283	2.5283
H8	2.7252	1.0963	2.8027	2.8027	2.2644	2.2644	1.8335		2.3233	3.7967	2.9923	2.9923	3.8645	3.8645	3.1383	3.1383
H9	1.1033	2.8767	2.1921	2.1921	2.9362	2.9362	3.9379	2.3233		1.7684	2.4222	2.4222	3.0716	3.0716	3.9973	3.9973
H10	1.1024	3.9566	2.2186	2.2186	3.3818	3.3818	5.0444	3.7967	1.7684		2.7582	2.7582	2.4341	2.4341	4.2882	4.2882
H11	2.2180	3.0415	1.1047	3.4127	2.2100	3.3610	3.9008	2.9923	2.4222	2.7582		4.2274	4.0028	1.7795	2.7722	4.3443
H12	2.2180	3.0415	3.4127	1.1047	3.3610	2.2100	3.9008	2.9923	2.4222	2.7582	4.2274		1.7795	4.0028	4.3443	2.7722
H13	2.1976	3.5075	2.9535	1.1056	3.0448	2.1582	4.3742	3.8645	3.0716	2.4341	4.0028	1.7795		3.0412	3.7923	2.5166
H14	2.1976	3.5075	1.1056	2.9535	2.1582	3.0448	4.3742	3.8645	3.0716	2.4341	1.7795	4.0028	3.0412		2.5166	3.7923
H15	3.4456	2.2481	2.2633	3.4132	1.0952	2.2834	2.5283	3.1383	3.9973	4.2882	2.7722	4.3443	3.7923	2.5166		2.6465
H16	3.4456	2.2481	3.4132	2.2633	2.2834	1.0952	2.5283	3.1383	3.9973	4.2882	4.3443	2.7722	2.5166	3.7923	2.6465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.721	C1	C3	H11	112.137
C1	C3	H14	110.477	C1	C4	C6	104.721
C1	C4	H12	112.137	C1	C4	H13	110.477
C2	C5	C3	117.604	C2	C5	C6	59.917
C2	C5	H15	118.179	C2	C6	C4	117.604
C2	C6	C5	59.917	C2	C6	H16	118.179
C3	C1	C4	105.281	C3	C1	H9	110.179
C3	C1	H10	112.329	C3	C5	C6	108.108
C3	C5	H15	118.366	C4	C1	H9	110.179
C4	C1	H10	112.329	C4	C6	C5	108.108
C4	C6	H16	118.366	C5	C2	C6	60.166
C5	C2	H7	116.997	C5	C2	H8	119.548
C5	C3	H11	113.217	C5	C3	H14	109.049
C5	C6	H16	121.044	C6	C2	H7	116.997
C6	C2	H8	119.548	C6	C4	H12	113.217
C6	C4	H13	109.049	C6	C5	H15	121.044
H7	C2	H8	113.613	H9	C1	H10	106.592
H11	C3	H14	107.237	H12	C4	H13	107.237

Number	Element	Mulliken
1	C	-0.341
2	C	-0.336
3	C	-0.274
4	C	-0.274
5	C	-0.138
6	C	-0.138
7	H	0.157
8	H	0.155
9	H	0.156
10	H	0.152
11	H	0.149
12	H	0.149
13	H	0.148
14	H	0.148
15	H	0.144
16	H	0.144

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

using model chemistry: PBEPBE/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
	0.163	0.077	0.000	0.180
CHELPG
AIM
ESP

	x	y	z
x	8.192	0.309	0.000
y	0.309	9.259	0.000
z	0.000	0.000	8.747

<r²>	142.751
(<r²>)^1/2	11.948

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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