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	hartrees
Energy at 0K	-233.199968
Energy at 298.15K
HF Energy	-233.199968
Nuclear repulsion energy	240.794950

Atom	x (Å)	y (Å)	z (Å)
C1	-0.173	1.471	0.000
C2	-0.940	-1.311	0.000
C3	0.292	0.638	1.248
C4	0.292	0.638	-1.248
C5	0.292	-0.827	0.768
C6	0.292	-0.827	-0.768
H7	-1.130	-2.386	0.000
H8	-1.847	-0.703	0.000
H9	-1.271	1.568	0.000
H10	0.245	2.489	0.000
H11	-0.360	0.804	2.122
H12	-0.360	0.804	-2.122
H13	1.320	0.923	-1.534
H14	1.320	0.923	1.534
H15	0.877	-1.556	1.331
H16	0.877	-1.556	-1.331

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8855	1.5708	1.5708	2.4666	2.4666	3.9739	2.7435	1.1021	1.1011	2.2321	2.2321	2.2099	2.2099	3.4684	3.4684
C2	2.8855		2.6218	2.6218	1.5302	1.5302	1.0919	1.0919	2.8984	3.9809	3.0518	3.0518	3.5287	3.5287	2.2649	2.2649
C3	1.5708	2.6218		2.4960	1.5415	2.4915	3.5674	2.8162	2.2059	2.2332	1.1031	3.4366	2.9794	1.1047	2.2715	3.4353
C4	1.5708	2.6218	2.4960		2.4915	1.5415	3.5674	2.8162	2.2059	2.2332	3.4366	1.1031	1.1047	2.9794	3.4353	2.2715
C5	2.4666	1.5302	1.5415	2.4915		1.5350	2.2459	2.2758	2.9612	3.4041	2.2181	3.3815	3.0682	2.1692	1.0907	2.2966
C6	2.4666	1.5302	2.4915	1.5415	1.5350		2.2459	2.2758	2.9612	3.4041	3.3815	2.2181	2.1692	3.0682	2.2966	1.0907
H7	3.9739	1.0919	3.5674	3.5674	2.2459	2.2459		1.8294	3.9571	5.0659	3.9083	3.9083	4.3940	4.3940	2.5471	2.5471
H8	2.7435	1.0919	2.8162	2.8162	2.2758	2.2758	1.8294		2.3433	3.8168	2.9976	2.9976	3.8766	3.8766	3.1486	3.1486
H9	1.1021	2.8984	2.2059	2.2059	2.9612	2.9612	3.9571	2.3433		1.7738	2.4325	2.4325	3.0797	3.0797	4.0175	4.0175
H10	1.1011	3.9809	2.2332	2.2332	3.4041	3.4041	5.0659	3.8168	1.7738		2.7765	2.7765	2.4421	2.4421	4.3046	4.3046
H11	2.2321	3.0518	1.1031	3.4366	2.2181	3.3815	3.9083	2.9976	2.4325	2.7765		4.2441	4.0253	1.7844	2.7791	4.3608
H12	2.2321	3.0518	3.4366	1.1031	3.3815	2.2181	3.9083	2.9976	2.4325	2.7765	4.2441		1.7844	4.0253	4.3608	2.7791
H13	2.2099	3.5287	2.9794	1.1047	3.0682	2.1692	4.3940	3.8766	3.0797	2.4421	4.0253	1.7844		3.0676	3.8134	2.5258
H14	2.2099	3.5287	1.1047	2.9794	2.1692	3.0682	4.3940	3.8766	3.0797	2.4421	1.7844	4.0253	3.0676		2.5258	3.8134
H15	3.4684	2.2649	2.2715	3.4353	1.0907	2.2966	2.5471	3.1486	4.0175	4.3046	2.7791	4.3608	3.8134	2.5258		2.6610
H16	3.4684	2.2649	3.4353	2.2715	2.2966	1.0907	2.5471	3.1486	4.0175	4.3046	4.3608	2.7791	2.5258	3.8134	2.6610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.840	C1	C3	H11	112.001
C1	C3	H14	110.159	C1	C4	C6	104.840
C1	C4	H12	112.001	C1	C4	H13	110.159
C2	C5	C3	117.197	C2	C5	C6	59.895
C2	C5	H15	118.617	C2	C6	C4	117.197
C2	C6	C5	59.895	C2	C6	H16	118.617
C3	C1	C4	105.216	C3	C1	H9	109.996
C3	C1	H10	112.207	C3	C5	C6	108.161
C3	C5	H15	118.290	C4	C1	H9	109.996
C4	C1	H10	112.207	C4	C6	C5	108.161
C4	C6	H16	118.290	C5	C2	C6	60.210
C5	C2	H7	116.868	C5	C2	H8	119.509
C5	C3	H11	112.961	C5	C3	H14	108.995
C5	C6	H16	121.077	C6	C2	H7	116.868
C6	C2	H8	119.509	C6	C4	H12	112.961
C6	C4	H13	108.995	C6	C5	H15	121.077
H7	C2	H8	113.800	H9	C1	H10	107.238
H11	C3	H14	107.849	H12	C4	H13	107.849

Number	Element	Mulliken
1	C	-0.369
2	C	-0.330
3	C	-0.317
4	C	-0.317
5	C	-0.200
6	C	-0.200
7	H	0.181
8	H	0.177
9	H	0.179
10	H	0.175
11	H	0.173
12	H	0.173
13	H	0.174
14	H	0.174
15	H	0.164
16	H	0.164

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

using model chemistry: BLYP/3-21G*

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
	0.157	0.083	0.000	0.178
CHELPG
AIM
ESP

	x	y	z
x	7.760	0.330	0.000
y	0.330	8.729	0.000
z	0.000	0.000	8.268

<r²>	145.155
(<r²>)^1/2	12.048

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

using model chemistry: BLYP/3-21G*

States and conformations

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