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	hartrees
Energy at 0K	-233.079297
Energy at 298.15K
HF Energy	-233.079297
Nuclear repulsion energy	245.623305

Atom	x (Å)	y (Å)	z (Å)
C1	-0.169	1.447	0.000
C2	-0.918	-1.297	0.000
C3	0.285	0.630	1.222
C4	0.285	0.630	-1.222
C5	0.285	-0.811	0.749
C6	0.285	-0.811	-0.749
H7	-1.094	-2.356	0.000
H8	-1.817	-0.709	0.000
H9	-1.247	1.552	0.000
H10	0.241	2.448	0.000
H11	-0.351	0.796	2.085
H12	-0.351	0.796	-2.085
H13	1.295	0.907	-1.507
H14	1.295	0.907	1.507
H15	0.857	-1.530	1.304
H16	0.857	-1.530	-1.304

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8437	1.5388	1.5388	2.4216	2.4216	3.9132	2.7135	1.0826	1.0821	2.1915	2.1915	2.1693	2.1693	3.4080	3.4080
C2	2.8437		2.5792	2.5792	1.4978	1.4978	1.0735	1.0742	2.8673	3.9199	3.0082	3.0082	3.4674	3.4674	2.2143	2.2143
C3	1.5388	2.5792		2.4449	1.5166	2.4419	3.5085	2.7758	2.1656	2.1912	1.0841	3.3720	2.9236	1.0853	2.2361	3.3725
C4	1.5388	2.5792	2.4449		2.4419	1.5166	3.5085	2.7758	2.1656	2.1912	3.3720	1.0841	1.0853	2.9236	3.3725	2.2361
C5	2.4216	1.4978	1.5166	2.4419		1.4981	2.2022	2.2337	2.9135	3.3441	2.1844	3.3194	3.0103	2.1321	1.0734	2.2490
C6	2.4216	1.4978	2.4419	1.5166	1.4981		2.2022	2.2337	2.9135	3.3441	3.3194	2.1844	2.1321	3.0103	2.2490	1.0734
H7	3.9132	1.0735	3.5085	3.5085	2.2022	2.2022		1.7980	3.9102	4.9857	3.8516	3.8516	4.3156	4.3156	2.4876	2.4876
H8	2.7135	1.0742	2.7758	2.7758	2.2337	2.2337	1.7980		2.3316	3.7688	2.9604	2.9604	3.8167	3.8167	3.0861	3.0861
H9	1.0826	2.8673	2.1656	2.1656	2.9135	2.9135	3.9102	2.3316		1.7371	2.3917	2.3917	3.0242	3.0242	3.9526	3.9526
H10	1.0821	3.9199	2.1912	2.1912	3.3441	3.3441	4.9857	3.7688	1.7371		2.7249	2.7249	2.3990	2.3990	4.2313	4.2313
H11	2.1915	3.0082	1.0841	3.3720	2.1844	3.3194	3.8516	2.9604	2.3917	2.7249		4.1698	3.9524	1.7473	2.7353	4.2840
H12	2.1915	3.0082	3.3720	1.0841	3.3194	2.1844	3.8516	2.9604	2.3917	2.7249	4.1698		1.7473	3.9524	4.2840	2.7353
H13	2.1693	3.4674	2.9236	1.0853	3.0103	2.1321	4.3156	3.8167	3.0242	2.3990	3.9524	1.7473		3.0142	3.7459	2.4847
H14	2.1693	3.4674	1.0853	2.9236	2.1321	3.0103	4.3156	3.8167	3.0242	2.3990	1.7473	3.9524	3.0142		2.4847	3.7459
H15	3.4080	2.2143	2.2361	3.3725	1.0734	2.2490	2.4876	3.0861	3.9526	4.2313	2.7353	4.2840	3.7459	2.4847		2.6070
H16	3.4080	2.2143	3.3725	2.2361	2.2490	1.0734	2.4876	3.0861	3.9526	4.2313	4.2840	2.7353	2.4847	3.7459	2.6070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.852	C1	C3	H11	112.184
C1	C3	H14	110.326	C1	C4	C6	104.852
C1	C4	H12	112.184	C1	C4	H13	110.326
C2	C5	C3	117.659	C2	C5	C6	59.993
C2	C5	H15	117.963	C2	C6	C4	117.659
C2	C6	C5	59.993	C2	C6	H16	117.963
C3	C1	C4	105.206	C3	C1	H9	110.192
C3	C1	H10	112.283	C3	C5	C6	108.189
C3	C5	H15	118.390	C4	C1	H9	110.192
C4	C1	H10	112.283	C4	C6	C5	108.189
C4	C6	H16	118.390	C5	C2	C6	60.014
C5	C2	H7	116.874	C5	C2	H8	119.656
C5	C3	H11	113.218	C5	C3	H14	108.937
C5	C6	H16	121.100	C6	C2	H7	116.874
C6	C2	H8	119.656	C6	C4	H12	113.218
C6	C4	H13	108.937	C6	C5	H15	121.100
H7	C2	H8	113.688	H9	C1	H10	106.732
H11	C3	H14	107.308	H12	C4	H13	107.308

Number	Element	Mulliken
1	C	-0.423
2	C	-1.219
3	C	-0.458
4	C	-0.458
5	C	-0.317
6	C	-0.317
7	H	0.378
8	H	0.260
9	H	0.177
10	H	0.361
11	H	0.289
12	H	0.289
13	H	0.172
14	H	0.172
15	H	0.548
16	H	0.548

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

using model chemistry: HF/aug-cc-pVTZ

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	0.068	0.000	0.190
CHELPG
AIM
ESP

	x	y	z
x	8.706	0.331	0.000
y	0.331	9.653	0.000
z	0.000	0.000	9.509

<r²>	141.083
(<r²>)^1/2	11.878

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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