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	hartrees
Energy at 0K	-232.901262
Energy at 298.15K
HF Energy	-232.901262
Nuclear repulsion energy	244.506170

Atom	x (Å)	y (Å)	z (Å)
C1	-0.153	1.457	0.000
C2	-0.927	-1.303	0.000
C3	0.283	0.629	1.233
C4	0.283	0.629	-1.233
C5	0.283	-0.815	0.755
C6	0.283	-0.815	-0.755
H7	-1.114	-2.361	0.000
H8	-1.826	-0.716	0.000
H9	-1.229	1.589	0.000
H10	0.281	2.450	0.000
H11	-0.365	0.795	2.086
H12	-0.365	0.795	-2.086
H13	1.290	0.904	-1.535
H14	1.290	0.904	1.535
H15	0.858	-1.529	1.311
H16	0.858	-1.529	-1.311

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8672	1.5476	1.5476	2.4336	2.4336	3.9368	2.7424	1.0839	1.0831	2.1989	2.1989	2.1776	2.1776	3.4149	3.4149
C2	2.8672		2.5926	2.5926	1.5083	1.5083	1.0735	1.0734	2.9077	3.9427	3.0116	3.0116	3.4852	3.4852	2.2270	2.2270
C3	1.5476	2.5926		2.4656	1.5212	2.4571	3.5231	2.7889	2.1740	2.1984	1.0846	3.3856	2.9576	1.0863	2.2355	3.3858
C4	1.5476	2.5926	2.4656		2.4571	1.5212	3.5231	2.7889	2.1740	2.1984	3.3856	1.0846	1.0863	2.9576	3.3858	2.2355
C5	2.4336	1.5083	1.5212	2.4571		1.5102	2.2162	2.2424	2.9383	3.3507	2.1870	3.3292	3.0351	2.1393	1.0727	2.2608
C6	2.4336	1.5083	2.4571	1.5212	1.5102		2.2162	2.2424	2.9383	3.3507	3.3292	2.1870	2.1393	3.0351	2.2608	1.0727
H7	3.9368	1.0735	3.5231	3.5231	2.2162	2.2162		1.7921	3.9509	5.0083	3.8559	3.8559	4.3352	4.3352	2.5099	2.5099
H8	2.7424	1.0734	2.7889	2.7889	2.2424	2.2424	1.7921		2.3807	3.8024	2.9607	2.9607	3.8326	3.8326	3.0961	3.0961
H9	1.0839	2.9077	2.1740	2.1740	2.9383	2.9383	3.9509	2.3807		1.7377	2.3930	2.3930	3.0277	3.0277	3.9747	3.9747
H10	1.0831	3.9427	2.1984	2.1984	3.3507	3.3507	5.0083	3.8024	1.7377		2.7399	2.7399	2.4002	2.4002	4.2293	4.2293
H11	2.1989	3.0116	1.0846	3.3856	2.1870	3.3292	3.8559	2.9607	2.3930	2.7399		4.1719	3.9826	1.7484	2.7386	4.2944
H12	2.1989	3.0116	3.3856	1.0846	3.3292	2.1870	3.8559	2.9607	2.3930	2.7399	4.1719		1.7484	3.9826	4.2944	2.7386
H13	2.1776	3.4852	2.9576	1.0863	3.0351	2.1393	4.3352	3.8326	3.0277	2.4002	3.9826	1.7484		3.0691	3.7695	2.4820
H14	2.1776	3.4852	1.0863	2.9576	2.1393	3.0351	4.3352	3.8326	3.0277	2.4002	1.7484	3.9826	3.0691		2.4820	3.7695
H15	3.4149	2.2270	2.2355	3.3858	1.0727	2.2608	2.5099	3.0961	3.9747	4.2293	2.7386	4.2944	3.7695	2.4820		2.6226
H16	3.4149	2.2270	3.3858	2.2355	2.2608	1.0727	2.5099	3.0961	3.9747	4.2293	4.2944	2.7386	2.4820	3.7695	2.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.930	C1	C3	H11	112.114
C1	C3	H14	110.305	C1	C4	C6	104.930
C1	C4	H12	112.114	C1	C4	H13	110.305
C2	C5	C3	117.694	C2	C5	C6	59.958
C2	C5	H15	118.296	C2	C6	C4	117.694
C2	C6	C5	59.958	C2	C6	H16	118.296
C3	C1	C4	105.608	C3	C1	H9	110.161
C3	C1	H10	112.167	C3	C5	C6	108.302
C3	C5	H15	118.016	C4	C1	H9	110.161
C4	C1	H10	112.167	C4	C6	C5	108.302
C4	C6	H16	118.016	C5	C2	C6	60.083
C5	C2	H7	117.285	C5	C2	H8	119.640
C5	C3	H11	113.068	C5	C3	H14	109.124
C5	C6	H16	121.233	C6	C2	H7	117.285
C6	C2	H8	119.640	C6	C4	H12	113.068
C6	C4	H13	109.124	C6	C5	H15	121.233
H7	C2	H8	113.183	H9	C1	H10	106.624
H11	C3	H14	107.293	H12	C4	H13	107.293

Number	Element	Mulliken
1	C	-0.351
2	C	-0.332
3	C	-0.266
4	C	-0.266
5	C	-0.214
6	C	-0.214
7	H	0.172
8	H	0.168
9	H	0.161
10	H	0.162
11	H	0.158
12	H	0.158
13	H	0.156
14	H	0.156
15	H	0.176
16	H	0.176

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

using model chemistry: HF/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
	0.191	0.084	0.000	0.209
CHELPG
AIM
ESP

	x	y	z
x	7.807	0.335	0.000
y	0.335	8.461	0.000
z	0.000	0.000	8.233

<r²>	142.277
(<r²>)^1/2	11.928

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

using model chemistry: HF/6-31G

States and conformations

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