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	hartrees
Energy at 0K	-233.334362
Energy at 298.15K
HF Energy	-233.334362
Nuclear repulsion energy	245.640766

Atom	x (Å)	y (Å)	z (Å)
C1	-0.187	1.425	0.000
C2	-0.919	-1.277	0.000
C3	0.291	0.627	1.218
C4	0.291	0.627	-1.218
C5	0.291	-0.807	0.751
C6	0.291	-0.807	-0.751
H7	-1.117	-2.354	0.000
H8	-1.824	-0.657	0.000
H9	-1.288	1.496	0.000
H10	0.199	2.457	0.000
H11	-0.352	0.793	2.100
H12	-0.352	0.793	-2.100
H13	1.320	0.917	-1.496
H14	1.320	0.917	1.496
H15	0.874	-1.543	1.315
H16	0.874	-1.543	-1.315

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.7997	1.5324	1.5324	2.4030	2.4030	3.8917	2.6484	1.1034	1.1020	2.1995	2.1995	2.1829	2.1829	3.4153	3.4153
C2	2.7997		2.5637	2.5637	1.4996	1.4996	1.0946	1.0972	2.7983	3.8983	3.0036	3.0036	3.4739	3.4739	2.2394	2.2394
C3	1.5324	2.5637		2.4360	1.5080	2.4361	3.5144	2.7573	2.1751	2.2003	1.1043	3.3842	2.9169	1.1051	2.2492	3.3860
C4	1.5324	2.5637	2.4360		2.4361	1.5080	3.5144	2.7573	2.1751	2.2003	3.3842	1.1043	1.1051	2.9169	3.3860	2.2492
C5	2.4030	1.4996	1.5080	2.4361		1.5028	2.2225	2.2491	2.8918	3.3507	2.1896	3.3328	3.0139	2.1419	1.0954	2.2698
C6	2.4030	1.4996	2.4361	1.5080	1.5028		2.2225	2.2491	2.8918	3.3507	3.3328	2.1896	2.1419	3.0139	2.2698	1.0954
H7	3.8917	1.0946	3.5144	3.5144	2.2225	2.2225		1.8382	3.8541	4.9878	3.8604	3.8604	4.3451	4.3451	2.5204	2.5204
H8	2.6484	1.0972	2.7573	2.7573	2.2491	2.2491	1.8382		2.2190	3.7134	2.9465	2.9465	3.8210	3.8210	3.1295	3.1295
H9	1.1034	2.7983	2.1751	2.1751	2.8918	2.8918	3.8541	2.2190		1.7704	2.4046	2.4046	3.0616	3.0616	3.9551	3.9551
H10	1.1020	3.8983	2.2003	2.2003	3.3507	3.3507	4.9878	3.7134	1.7704		2.7356	2.7356	2.4214	2.4214	4.2645	4.2645
H11	2.1995	3.0036	1.1043	3.3842	2.1896	3.3328	3.8604	2.9465	2.4046	2.7356		4.2009	3.9678	1.7823	2.7532	4.3160
H12	2.1995	3.0036	3.3842	1.1043	3.3328	2.1896	3.8604	2.9465	2.4046	2.7356	4.2009		1.7823	3.9678	4.3160	2.7532
H13	2.1829	3.4739	2.9169	1.1051	3.0139	2.1419	4.3451	3.8210	3.0616	2.4214	3.9678	1.7823		2.9915	3.7621	2.5073
H14	2.1829	3.4739	1.1051	2.9169	2.1419	3.0139	4.3451	3.8210	3.0616	2.4214	1.7823	3.9678	2.9915		2.5073	3.7621
H15	3.4153	2.2394	2.2492	3.3860	1.0954	2.2698	2.5204	3.1295	3.9551	4.2645	2.7532	4.3160	3.7621	2.5073		2.6299
H16	3.4153	2.2394	3.3860	2.2492	2.2698	1.0954	2.5204	3.1295	3.9551	4.2645	4.3160	2.7532	2.5073	3.7621	2.6299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.435	C1	C3	H11	112.046
C1	C3	H14	110.669	C1	C4	C6	104.435
C1	C4	H12	112.046	C1	C4	H13	110.669
C2	C5	C3	116.952	C2	C5	C6	59.930
C2	C5	H15	118.468	C2	C6	C4	116.952
C2	C6	C5	59.930	C2	C6	H16	118.468
C3	C1	C4	105.278	C3	C1	H9	110.160
C3	C1	H10	112.249	C3	C5	C6	108.024
C3	C5	H15	118.676	C4	C1	H9	110.160
C4	C1	H10	112.249	C4	C6	C5	108.024
C4	C6	H16	118.676	C5	C2	C6	60.140
C5	C2	H7	117.041	C5	C2	H8	119.200
C5	C3	H11	112.997	C5	C3	H14	109.138
C5	C6	H16	120.961	C6	C2	H7	117.041
C6	C2	H8	119.200	C6	C4	H12	112.997
C6	C4	H13	109.138	C6	C5	H15	120.961
H7	C2	H8	113.994	H9	C1	H10	106.788
H11	C3	H14	107.552	H12	C4	H13	107.552

Number	Element	Mulliken
1	C	-0.357
2	C	-0.434
3	C	-0.477
4	C	-0.477
5	C	-0.006
6	C	-0.006
7	H	0.174
8	H	0.166
9	H	0.181
10	H	0.182
11	H	0.182
12	H	0.182
13	H	0.180
14	H	0.180
15	H	0.165
16	H	0.165

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

using model chemistry: LSDA/6-31+G**

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
	0.196	0.093	0.000	0.217
CHELPG
AIM
ESP

	x	y	z
x	9.327	0.314	0.000
y	0.314	10.364	0.000
z	0.000	0.000	10.136

<r²>	140.510
(<r²>)^1/2	11.854

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

using model chemistry: LSDA/6-31+G**

States and conformations

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