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	hartrees
Energy at 0K	-234.504726
Energy at 298.15K
HF Energy	-234.504726
Nuclear repulsion energy	245.544718

Atom	x (Å)	y (Å)	z (Å)
C1	-0.196	1.426	0.000
C2	-0.916	-1.281	0.000
C3	0.293	0.630	1.220
C4	0.293	0.630	-1.220
C5	0.293	-0.809	0.751
C6	0.293	-0.809	-0.751
H7	-1.110	-2.348	0.000
H8	-1.815	-0.671	0.000
H9	-1.288	1.483	0.000
H10	0.174	2.454	0.000
H11	-0.338	0.795	2.099
H12	-0.338	0.795	-2.099
H13	1.313	0.922	-1.489
H14	1.313	0.922	1.489
H15	0.871	-1.537	1.309
H16	0.871	-1.537	-1.309

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8015	1.5370	1.5370	2.4079	2.4079	3.8835	2.6495	1.0933	1.0920	2.1964	2.1964	2.1791	2.1791	3.4111	3.4111
C2	2.8015		2.5697	2.5697	1.4998	1.4998	1.0845	1.0865	2.7891	3.8907	3.0087	3.0087	3.4699	3.4699	2.2305	2.2305
C3	1.5370	2.5697		2.4410	1.5132	2.4408	3.5109	2.7613	2.1715	2.1976	1.0941	3.3830	2.9097	1.0950	2.2449	3.3810
C4	1.5370	2.5697	2.4410		2.4408	1.5132	3.5109	2.7613	2.1715	2.1976	3.3830	1.0941	1.0950	2.9097	3.3810	2.2449
C5	2.4079	1.4998	1.5132	2.4408		1.5026	2.2141	2.2421	2.8835	3.3498	2.1881	3.3310	3.0089	2.1401	1.0848	2.2608
C6	2.4079	1.4998	2.4408	1.5132	1.5026		2.2141	2.2421	2.8835	3.3498	3.3310	2.1881	2.1401	3.0089	2.2608	1.0848
H7	3.8835	1.0845	3.5109	3.5109	2.2141	2.2141		1.8196	3.8354	4.9706	3.8580	3.8580	4.3338	4.3338	2.5094	2.5094
H8	2.6495	1.0865	2.7613	2.7613	2.2421	2.2421	1.8196		2.2176	3.7041	2.9560	2.9560	3.8133	3.8133	3.1116	3.1116
H9	1.0933	2.7891	2.1715	2.1715	2.8835	2.8835	3.8354	2.2176		1.7549	2.4043	2.4043	3.0491	3.0491	3.9368	3.9368
H10	1.0920	3.8907	2.1976	2.1976	3.3498	3.3498	4.9706	3.7041	1.7549		2.7236	2.7236	2.4207	2.4207	4.2576	4.2576
H11	2.1964	3.0087	1.0941	3.3830	2.1881	3.3310	3.8580	2.9560	2.4043	2.7236		4.1980	3.9515	1.7653	2.7438	4.3035
H12	2.1964	3.0087	3.3830	1.0941	3.3310	2.1881	3.8580	2.9560	2.4043	2.7236	4.1980		1.7653	3.9515	4.3035	2.7438
H13	2.1791	3.4699	2.9097	1.0950	3.0089	2.1401	4.3338	3.8133	3.0491	2.4207	3.9515	1.7653		2.9772	3.7511	2.5050
H14	2.1791	3.4699	1.0950	2.9097	2.1401	3.0089	4.3338	3.8133	3.0491	2.4207	1.7653	3.9515	2.9772		2.5050	3.7511
H15	3.4111	2.2305	2.2449	3.3810	1.0848	2.2608	2.5094	3.1116	3.9368	4.2576	2.7438	4.3035	3.7511	2.5050		2.6184
H16	3.4111	2.2305	3.3810	2.2449	2.2608	1.0848	2.5094	3.1116	3.9368	4.2576	4.3035	2.7438	2.5050	3.7511	2.6184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.262	C1	C3	H11	112.082
C1	C3	H14	110.649	C1	C4	C6	104.262
C1	C4	H12	112.082	C1	C4	H13	110.649
C2	C5	C3	117.049	C2	C5	C6	59.938
C2	C5	H15	118.423	C2	C6	C4	117.049
C2	C6	C5	59.938	C2	C6	H16	118.423
C3	C1	C4	105.132	C3	C1	H9	110.146
C3	C1	H10	112.310	C3	C5	C6	108.064
C3	C5	H15	118.627	C4	C1	H9	110.146
C4	C1	H10	112.310	C4	C6	C5	108.064
C4	C6	H16	118.627	C5	C2	C6	60.124
C5	C2	H7	116.994	C5	C2	H8	119.346
C5	C3	H11	113.131	C5	C3	H14	109.227
C5	C6	H16	120.948	C6	C2	H7	116.994
C6	C2	H8	119.346	C6	C4	H12	113.131
C6	C4	H13	109.227	C6	C5	H15	120.948
H7	C2	H8	113.880	H9	C1	H10	106.838
H11	C3	H14	107.488	H12	C4	H13	107.488

Number	Element	Mulliken
1	C	-0.366
2	C	-0.349
3	C	-0.281
4	C	-0.281
5	C	-0.166
6	C	-0.166
7	H	0.168
8	H	0.165
9	H	0.164
10	H	0.163
11	H	0.158
12	H	0.158
13	H	0.157
14	H	0.157
15	H	0.160
16	H	0.160

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

using model chemistry: B1B95/6-31G**

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	0.069	0.000	0.179
CHELPG
AIM
ESP

	x	y	z
x	7.969	0.295	0.000
y	0.295	8.917	0.000
z	0.000	0.000	8.471

<r²>	140.104
(<r²>)^1/2	11.837

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

using model chemistry: B1B95/6-31G**

States and conformations

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