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	hartrees
Energy at 0K	-234.422943
Energy at 298.15K
HF Energy	-234.422943
Nuclear repulsion energy	240.721454

Atom	x (Å)	y (Å)	z (Å)
C1	-0.168	1.475	0.000
C2	-0.934	-1.329	0.000
C3	0.289	0.641	1.248
C4	0.289	0.641	-1.248
C5	0.289	-0.824	0.767
C6	0.289	-0.824	-0.767
H7	-1.115	-2.406	0.000
H8	-1.855	-0.739	0.000
H9	-1.266	1.588	0.000
H10	0.251	2.494	0.000
H11	-0.361	0.813	2.124
H12	-0.361	0.813	-2.124
H13	1.316	0.924	-1.544
H14	1.316	0.924	1.544
H15	0.877	-1.549	1.335
H16	0.877	-1.549	-1.335

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.9058	1.5685	1.5685	2.4657	2.4657	3.9945	2.7829	1.1033	1.1021	2.2333	2.2333	2.2115	2.2115	3.4664	3.4664
C2	2.9058		2.6329	2.6329	1.5292	1.5292	1.0927	1.0935	2.9350	4.0018	3.0701	3.0701	3.5387	3.5387	2.2606	2.2606
C3	1.5685	2.6329		2.4951	1.5418	2.4907	3.5797	2.8386	2.2068	2.2340	1.1044	3.4380	2.9882	1.1058	2.2693	3.4366
C4	1.5685	2.6329	2.4951		2.4907	1.5418	3.5797	2.8386	2.2068	2.2340	3.4380	1.1044	1.1058	2.9882	3.4366	2.2693
C5	2.4657	1.5292	1.5418	2.4907		1.5336	2.2503	2.2785	2.9699	3.4053	2.2230	3.3849	3.0743	2.1713	1.0928	2.2996
C6	2.4657	1.5292	2.4907	1.5418	1.5336		2.2503	2.2785	2.9699	3.4053	3.3849	2.2230	2.1713	3.0743	2.2996	1.0928
H7	3.9945	1.0927	3.5797	3.5797	2.2503	2.2503		1.8238	3.9966	5.0868	3.9296	3.9296	4.4031	4.4031	2.5468	2.5468
H8	2.7829	1.0935	2.8386	2.8386	2.2785	2.2785	1.8238		2.4001	3.8582	3.0254	3.0254	3.8995	3.8995	3.1467	3.1467
H9	1.1033	2.9350	2.2068	2.2068	2.9699	2.9699	3.9966	2.4001		1.7666	2.4357	2.4357	3.0807	3.0807	4.0264	4.0264
H10	1.1021	4.0018	2.2340	2.2340	3.4053	3.4053	5.0868	3.8582	1.7666		2.7772	2.7772	2.4461	2.4461	4.3033	4.3033
H11	2.2333	3.0701	1.1044	3.4380	2.2230	3.3849	3.9296	3.0254	2.4357	2.7772		4.2484	4.0349	1.7774	2.7806	4.3672
H12	2.2333	3.0701	3.4380	1.1044	3.3849	2.2230	3.9296	3.0254	2.4357	2.7772	4.2484		1.7774	4.0349	4.3672	2.7806
H13	2.2115	3.5387	2.9882	1.1058	3.0743	2.1713	4.4031	3.8995	3.0807	2.4461	4.0349	1.7774		3.0886	3.8206	2.5205
H14	2.2115	3.5387	1.1058	2.9882	2.1713	3.0743	4.4031	3.8995	3.0807	2.4461	1.7774	4.0349	3.0886		2.5205	3.8206
H15	3.4664	2.2606	2.2693	3.4366	1.0928	2.2996	2.5468	3.1467	4.0264	4.3033	2.7806	4.3672	3.8206	2.5205		2.6694
H16	3.4664	2.2606	3.4366	2.2693	2.2996	1.0928	2.5468	3.1467	4.0264	4.3033	4.3672	2.7806	2.5205	3.8206	2.6694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.883	C1	C3	H11	112.174
C1	C3	H14	110.376	C1	C4	C6	104.883
C1	C4	H12	112.174	C1	C4	H13	110.376
C2	C5	C3	118.035	C2	C5	C6	59.905
C2	C5	H15	118.164	C2	C6	C4	118.035
C2	C6	C5	59.905	C2	C6	H16	118.164
C3	C1	C4	105.384	C3	C1	H9	110.152
C3	C1	H10	112.371	C3	C5	C6	108.168
C3	C5	H15	117.931	C4	C1	H9	110.152
C4	C1	H10	112.371	C4	C6	C5	108.168
C4	C6	H16	117.931	C5	C2	C6	60.191
C5	C2	H7	117.270	C5	C2	H8	119.709
C5	C3	H11	113.263	C5	C3	H14	109.084
C5	C6	H16	121.307	C6	C2	H7	117.270
C6	C2	H8	119.709	C6	C4	H12	113.263
C6	C4	H13	109.084	C6	C5	H15	121.307
H7	C2	H8	113.076	H9	C1	H10	106.462
H11	C3	H14	107.061	H12	C4	H13	107.061

Number	Element	Mulliken
1	C	-0.255
2	C	-0.242
3	C	-0.189
4	C	-0.189
5	C	-0.109
6	C	-0.109
7	H	0.114
8	H	0.116
9	H	0.117
10	H	0.110
11	H	0.108
12	H	0.108
13	H	0.109
14	H	0.109
15	H	0.101
16	H	0.101

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

using model chemistry: BLYP/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
	0.166	0.100	0.000	0.194
CHELPG
AIM
ESP

	x	y	z
x	8.184	0.329	0.000
y	0.329	9.146	0.000
z	0.000	0.000	8.696

<r²>	145.659
(<r²>)^1/2	12.069

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

using model chemistry: BLYP/6-31G

States and conformations

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