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	hartrees
Energy at 0K	-233.016792
Energy at 298.15K
HF Energy	-233.016792
Nuclear repulsion energy	244.762546

Atom	x (Å)	y (Å)	z (Å)
C1	-0.171	1.449	0.000
C2	-0.920	-1.301	0.000
C3	0.286	0.632	1.225
C4	0.286	0.632	-1.225
C5	0.286	-0.813	0.752
C6	0.286	-0.813	-0.752
H7	-1.097	-2.370	0.000
H8	-1.829	-0.709	0.000
H9	-1.258	1.553	0.000
H10	0.240	2.460	0.000
H11	-0.353	0.801	2.096
H12	-0.353	0.801	-2.096
H13	1.305	0.911	-1.511
H14	1.305	0.911	1.511
H15	0.865	-1.538	1.311
H16	0.865	-1.538	-1.311

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8500	1.5417	1.5417	2.4267	2.4267	3.9293	2.7213	1.0923	1.0916	2.2016	2.2016	2.1792	2.1792	3.4223	3.4223
C2	2.8500		2.5866	2.5866	1.5026	1.5026	1.0835	1.0844	2.8739	3.9359	3.0217	3.0217	3.4820	3.4820	2.2276	2.2276
C3	1.5417	2.5866		2.4502	1.5203	2.4485	3.5246	2.7876	2.1756	2.2014	1.0933	3.3863	2.9328	1.0945	2.2476	3.3874
C4	1.5417	2.5866	2.4502		2.4485	1.5203	3.5246	2.7876	2.1756	2.2014	3.3863	1.0933	1.0945	2.9328	3.3874	2.2476
C5	2.4267	1.5026	1.5203	2.4485		1.5034	2.2139	2.2468	2.9235	3.3586	2.1952	3.3349	3.0213	2.1414	1.0835	2.2616
C6	2.4267	1.5026	2.4485	1.5203	1.5034		2.2139	2.2468	2.9235	3.3586	3.3349	2.1952	2.1414	3.0213	2.2616	1.0835
H7	3.9293	1.0835	3.5246	3.5246	2.2139	2.2139		1.8149	3.9263	5.0116	3.8726	3.8726	4.3374	4.3374	2.5020	2.5020
H8	2.7213	1.0844	2.7876	2.7876	2.2468	2.2468	1.8149		2.3331	3.7848	2.9748	2.9748	3.8375	3.8375	3.1086	3.1086
H9	1.0923	2.8739	2.1756	2.1756	2.9235	2.9235	3.9263	2.3331		1.7512	2.4039	2.4039	3.0435	3.0435	3.9726	3.9726
H10	1.0916	3.9359	2.2014	2.2014	3.3586	3.3586	5.0116	3.7848	1.7512		2.7386	2.7386	2.4118	2.4118	4.2538	4.2538
H11	2.2016	3.0217	1.0933	3.3863	2.1952	3.3349	3.8726	2.9748	2.4039	2.7386		4.1921	3.9712	1.7618	2.7515	4.3081
H12	2.2016	3.0217	3.3863	1.0933	3.3349	2.1952	3.8726	2.9748	2.4039	2.7386	4.1921		1.7618	3.9712	4.3081	2.7515
H13	2.1792	3.4820	2.9328	1.0945	3.0213	2.1414	4.3374	3.8375	3.0435	2.4118	3.9712	1.7618		3.0215	3.7617	2.4961
H14	2.1792	3.4820	1.0945	2.9328	2.1414	3.0213	4.3374	3.8375	3.0435	2.4118	1.7618	3.9712	3.0215		2.4961	3.7617
H15	3.4223	2.2276	2.2476	3.3874	1.0835	2.2616	2.5020	3.1086	3.9726	4.2538	2.7515	4.3081	3.7617	2.4961		2.6213
H16	3.4223	2.2276	3.3874	2.2476	2.2616	1.0835	2.5020	3.1086	3.9726	4.2538	4.3081	2.7515	2.4961	3.7617	2.6213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.841	C1	C3	H11	112.223
C1	C3	H14	110.364	C1	C4	C6	104.841
C1	C4	H12	112.223	C1	C4	H13	110.364
C2	C5	C3	117.666	C2	C5	C6	59.983
C2	C5	H15	118.031	C2	C6	C4	117.666
C2	C6	C5	59.983	C2	C6	H16	118.031
C3	C1	C4	105.249	C3	C1	H9	110.205
C3	C1	H10	112.307	C3	C5	C6	108.143
C3	C5	H15	118.386	C4	C1	H9	110.205
C4	C1	H10	112.307	C4	C6	C5	108.143
C4	C6	H16	118.386	C5	C2	C6	60.035
C5	C2	H7	116.828	C5	C2	H8	119.694
C5	C3	H11	113.246	C5	C3	H14	108.871
C5	C6	H16	121.056	C6	C2	H7	116.828
C6	C2	H8	119.694	C6	C4	H12	113.246
C6	C4	H13	108.871	C6	C5	H15	121.056
H7	C2	H8	113.689	H9	C1	H10	106.617
H11	C3	H14	107.279	H12	C4	H13	107.279

Number	Element	Mulliken
1	C	-0.105
2	C	0.015
3	C	0.050
4	C	0.050
5	C	-0.140
6	C	-0.140
7	H	0.040
8	H	0.035
9	H	0.031
10	H	0.028
11	H	0.028
12	H	0.028
13	H	0.028
14	H	0.028
15	H	0.013
16	H	0.013

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

using model chemistry: HF/cc-pVDZ

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
	0.178	0.066	0.000	0.190
CHELPG
AIM
ESP

	x	y	z
x	8.151	0.312	0.000
y	0.312	9.027	0.000
z	0.000	0.000	8.727

<r²>	141.925
(<r²>)^1/2	11.913

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

using model chemistry: HF/cc-pVDZ

States and conformations

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