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	hartrees
Energy at 0K	-233.028392
Energy at 298.15K
HF Energy	-233.028392
Nuclear repulsion energy	245.243515

Atom	x (Å)	y (Å)	z (Å)
C1	-0.171	1.448	0.000
C2	-0.919	-1.298	0.000
C3	0.286	0.631	1.225
C4	0.286	0.631	-1.225
C5	0.286	-0.813	0.750
C6	0.286	-0.813	-0.750
H7	-1.096	-2.359	0.000
H8	-1.820	-0.710	0.000
H9	-1.251	1.552	0.000
H10	0.239	2.453	0.000
H11	-0.350	0.798	2.090
H12	-0.350	0.798	-2.090
H13	1.298	0.909	-1.509
H14	1.298	0.909	1.509
H15	0.858	-1.533	1.307
H16	0.858	-1.533	-1.307

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8468	1.5418	1.5418	2.4254	2.4254	3.9187	2.7171	1.0850	1.0844	2.1961	2.1961	2.1734	2.1734	3.4141	3.4141
C2	2.8468		2.5829	2.5829	1.4996	1.4996	1.0758	1.0765	2.8699	3.9254	3.0144	3.0144	3.4731	3.4731	2.2181	2.2181
C3	1.5418	2.5829		2.4497	1.5194	2.4460	3.5143	2.7810	2.1702	2.1959	1.0863	3.3792	2.9284	1.0875	2.2399	3.3791
C4	1.5418	2.5829	2.4497		2.4460	1.5194	3.5143	2.7810	2.1702	2.1959	3.3792	1.0863	1.0875	2.9284	3.3791	2.2399
C5	2.4254	1.4996	1.5194	2.4460		1.5000	2.2056	2.2379	2.9181	3.3506	2.1894	3.3261	3.0153	2.1366	1.0756	2.2531
C6	2.4254	1.4996	2.4460	1.5194	1.5000		2.2056	2.2379	2.9181	3.3506	3.3261	2.1894	2.1366	3.0153	2.2531	1.0756
H7	3.9187	1.0758	3.5143	3.5143	2.2056	2.2056		1.8010	3.9147	4.9938	3.8594	3.8594	4.3234	4.3234	2.4920	2.4920
H8	2.7171	1.0765	2.7810	2.7810	2.2379	2.2379	1.8010		2.3333	3.7742	2.9676	2.9676	3.8240	3.8240	3.0918	3.0918
H9	1.0850	2.8699	2.1702	2.1702	2.9181	2.9181	3.9147	2.3333		1.7402	2.3975	2.3975	3.0306	3.0306	3.9592	3.9592
H10	1.0844	3.9254	2.1959	2.1959	3.3506	3.3506	4.9938	3.7742	1.7402		2.7297	2.7297	2.4044	2.4044	4.2401	4.2401
H11	2.1961	3.0144	1.0863	3.3792	2.1894	3.3261	3.8594	2.9676	2.3975	2.7297		4.1798	3.9596	1.7503	2.7401	4.2931
H12	2.1961	3.0144	3.3792	1.0863	3.3261	2.1894	3.8594	2.9676	2.3975	2.7297	4.1798		1.7503	3.9596	4.2931	2.7401
H13	2.1734	3.4731	2.9284	1.0875	3.0153	2.1366	4.3234	3.8240	3.0306	2.4044	3.9596	1.7503		3.0180	3.7531	2.4899
H14	2.1734	3.4731	1.0875	2.9284	2.1366	3.0153	4.3234	3.8240	3.0306	2.4044	1.7503	3.9596	3.0180		2.4899	3.7531
H15	3.4141	2.2181	2.2399	3.3791	1.0756	2.2531	2.4920	3.0918	3.9592	4.2401	2.7401	4.2931	3.7531	2.4899		2.6130
H16	3.4141	2.2181	3.3791	2.2399	2.2531	1.0756	2.4920	3.0918	3.9592	4.2401	4.2931	2.7401	2.4899	3.7531	2.6130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.807	C1	C3	H11	112.200
C1	C3	H14	110.308	C1	C4	C6	104.807
C1	C4	H12	112.200	C1	C4	H13	110.308
C2	C5	C3	117.645	C2	C5	C6	59.991
C2	C5	H15	117.990	C2	C6	C4	117.645
C2	C6	C5	59.991	C2	C6	H16	117.990
C3	C1	C4	105.204	C3	C1	H9	110.200
C3	C1	H10	112.307	C3	C5	C6	108.212
C3	C5	H15	118.341	C4	C1	H9	110.200
C4	C1	H10	112.307	C4	C6	C5	108.212
C4	C6	H16	118.341	C5	C2	C6	60.018
C5	C2	H7	116.876	C5	C2	H8	119.724
C5	C3	H11	113.288	C5	C3	H14	108.964
C5	C6	H16	121.156	C6	C2	H7	116.876
C6	C2	H8	119.724	C6	C4	H12	113.288
C6	C4	H13	108.964	C6	C5	H15	121.156
H7	C2	H8	113.601	H9	C1	H10	106.672
H11	C3	H14	107.259	H12	C4	H13	107.259

Number	Element	Mulliken
1	C	-0.272
2	C	-0.328
3	C	-0.233
4	C	-0.233
5	C	-0.102
6	C	-0.102
7	H	0.140
8	H	0.138
9	H	0.127
10	H	0.127
11	H	0.122
12	H	0.122
13	H	0.122
14	H	0.122
15	H	0.125
16	H	0.125

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

using model chemistry: HF/6-31G(2df,p)

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
	0.166	0.052	0.000	0.174
CHELPG
AIM
ESP

	x	y	z
x	7.943	0.316	0.000
y	0.316	8.795	0.000
z	0.000	0.000	8.471

<r²>	141.188
(<r²>)^1/2	11.882

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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