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	hartrees
Energy at 0K	-38.715394
Energy at 298.15K
HF Energy	-38.715394
Nuclear repulsion energy	132.293699

Atom	x (Å)	y (Å)	z (Å)
C1	-0.180	1.456	0.000
C2	-0.929	-1.306	0.000
C3	0.291	0.637	1.233
C4	0.291	0.637	-1.233
C5	0.291	-0.819	0.757
C6	0.291	-0.819	-0.757
H7	-1.107	-2.375	0.000
H8	-1.837	-0.714	0.000
H9	-1.267	1.549	0.000
H10	0.223	2.469	0.000
H11	-0.346	0.803	2.104
H12	-0.346	0.803	-2.104
H13	1.309	0.920	-1.512
H14	1.309	0.920	1.512
H15	0.869	-1.543	1.316
H16	0.869	-1.543	-1.316

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8613	1.5529	1.5529	2.4430	2.4430	3.9410	2.7305	1.0906	1.0906	2.2095	2.2095	2.1890	2.1890	3.4391	3.4391
C2	2.8613		2.6040	2.6040	1.5160	1.5160	1.0836	1.0836	2.8752	3.9469	3.0356	3.0356	3.4998	3.4998	2.2411	2.2411
C3	1.5529	2.6040		2.4650	1.5314	2.4651	3.5415	2.8060	2.1858	2.2094	1.0923	3.4011	2.9413	1.0930	2.2571	3.4034
C4	1.5529	2.6040	2.4650		2.4651	1.5314	3.5415	2.8060	2.1858	2.2094	3.4011	1.0923	1.0930	2.9413	3.4034	2.2571
C5	2.4430	1.5160	1.5314	2.4651		1.5137	2.2243	2.2610	2.9339	3.3747	2.2025	3.3499	3.0346	2.1517	1.0826	2.2708
C6	2.4430	1.5160	2.4651	1.5314	1.5137		2.2243	2.2610	2.9339	3.3747	3.3499	2.2025	2.1517	3.0346	2.2708	1.0826
H7	3.9410	1.0836	3.5415	3.5415	2.2243	2.2243		1.8136	3.9274	5.0231	3.8864	3.8864	4.3562	4.3562	2.5157	2.5157
H8	2.7305	1.0836	2.8060	2.8060	2.2610	2.2610	1.8136		2.3348	3.7920	2.9924	2.9924	3.8542	3.8542	3.1214	3.1214
H9	1.0906	2.8752	2.1858	2.1858	2.9339	2.9339	3.9274	2.3348		1.7506	2.4152	2.4152	3.0524	3.0524	3.9823	3.9823
H10	1.0906	3.9469	2.2094	2.2094	3.3747	3.3747	5.0231	3.7920	1.7506		2.7438	2.7438	2.4224	2.4224	4.2720	4.2720
H11	2.2095	3.0356	1.0923	3.4011	2.2025	3.3499	3.8864	2.9924	2.4152	2.7438		4.2087	3.9791	1.7612	2.7572	4.3221
H12	2.2095	3.0356	3.4011	1.0923	3.3499	2.2025	3.8864	2.9924	2.4152	2.7438	4.2087		1.7612	3.9791	4.3221	2.7572
H13	2.1890	3.4998	2.9413	1.0930	3.0346	2.1517	4.3562	3.8542	3.0524	2.4224	3.9791	1.7612		3.0250	3.7763	2.5096
H14	2.1890	3.4998	1.0930	2.9413	2.1517	3.0346	4.3562	3.8542	3.0524	2.4224	1.7612	3.9791	3.0250		2.5096	3.7763
H15	3.4391	2.2411	2.2571	3.4034	1.0826	2.2708	2.5157	3.1214	3.9823	4.2720	2.7572	4.3221	3.7763	2.5096		2.6323
H16	3.4391	2.2411	3.4034	2.2571	2.2708	1.0826	2.5157	3.1214	3.9823	4.2720	4.3221	2.7572	2.5096	3.7763	2.6323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.759	C1	C3	H11	112.121
C1	C3	H14	110.441	C1	C4	C6	104.759
C1	C4	H12	112.121	C1	C4	H13	110.441
C2	C5	C3	117.409	C2	C5	C6	60.051
C2	C5	H15	118.219	C2	C6	C4	117.409
C2	C6	C5	60.051	C2	C6	H16	118.219
C3	C1	C4	105.064	C3	C1	H9	110.331
C3	C1	H10	112.212	C3	C5	C6	108.096
C3	C5	H15	118.400	C4	C1	H9	110.331
C4	C1	H10	112.212	C4	C6	C5	108.096
C4	C6	H16	118.400	C5	C2	C6	59.899
C5	C2	H7	116.677	C5	C2	H8	119.940
C5	C3	H11	113.106	C5	C3	H14	108.997
C5	C6	H16	121.106	C6	C2	H7	116.677
C6	C2	H8	119.940	C6	C4	H12	113.106
C6	C4	H13	108.997	C6	C5	H15	121.106
H7	C2	H8	113.621	H9	C1	H10	106.749
H11	C3	H14	107.406	H12	C4	H13	107.406

Number	Element	Mulliken
1	C	-0.182
2	C	-0.393
3	C	-0.250
4	C	-0.250
5	C	-0.186
6	C	-0.186
7	H	0.143
8	H	0.186
9	H	0.100
10	H	0.136
11	H	0.120
12	H	0.120
13	H	0.097
14	H	0.097
15	H	0.224
16	H	0.224

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

using model chemistry: HF/CEP-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
	0.201	0.115	0.000	0.232
CHELPG
AIM
ESP

	x	y	z
x	7.779	0.358	0.000
y	0.358	8.600	0.000
z	0.000	0.000	8.584

<r²>	119.976
(<r²>)^1/2	10.953

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

using model chemistry: HF/CEP-31G*

States and conformations

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