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	hartrees
Energy at 0K	-191.604870
Energy at 298.15K	-191.613854
Nuclear repulsion energy	170.457988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3653	2982	0.00
2	A₁	1788	1460	0.00
3	A₁	1420	1160	0.00
4	A₁	1270	1037	0.00
5	A₁	754	616	0.00
6	A₂	3798	3101	0.00
7	A₂	1398	1141	0.00
8	A₂	996	813	0.00
9	B₁	3799	3102	0.00
10	B₁	1402	1144	0.00
11	B₁	1196	977	0.00
12	B₁	340	278	0.00
13	B₂	3656	2985	2.48
14	B₂	1927	1573	12.24
15	B₂	1710	1396	0.01
16	B₂	1356	1107	6.91
17	B₂	1158	946	4.62
18	E	3802	3105	0.16
18	E	3802	3105	0.16
19	E	3642	2974	4.45
19	E	3642	2974	4.45
20	E	1746	1426	0.03
20	E	1746	1426	0.03
21	E	1448	1182	3.15
21	E	1448	1182	3.15
22	E	1359	1110	0.39
22	E	1359	1110	0.39
23	E	1092	891	2.30
23	E	1092	891	2.30
24	E	923	754	0.05
24	E	923	754	0.05
25	E	363	296	0.01
25	E	363	296	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.757	1.278
C3	0.000	-0.757	1.278
C4	-0.757	0.000	-1.278
C5	0.757	0.000	-1.278
H6	0.906	1.265	1.579
H7	-0.906	1.265	1.579
H8	-0.906	-1.265	1.579
H9	0.906	-1.265	1.579
H10	-1.265	-0.906	-1.579
H11	-1.265	0.906	-1.579
H12	1.265	0.906	-1.579
H13	1.265	-0.906	-1.579

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4856	1.4856	1.4856	1.4856	2.2174	2.2174	2.2174	2.2174	2.2174	2.2174	2.2174	2.2174
C2	1.4856		1.5145	2.7714	2.7714	1.0818	1.0818	2.2368	2.2368	3.5403	3.1287	3.1287	3.5403
C3	1.4856	1.5145		2.7714	2.7714	2.2368	2.2368	1.0818	1.0818	3.1287	3.5403	3.5403	3.1287
C4	1.4856	2.7714	2.7714		1.5145	3.5403	3.1287	3.1287	3.5403	1.0818	1.0818	2.2368	2.2368
C5	1.4856	2.7714	2.7714	1.5145		3.1287	3.5403	3.5403	3.1287	2.2368	2.2368	1.0818	1.0818
H6	2.2174	1.0818	2.2368	3.5403	3.1287		1.8124	3.1129	2.5309	4.4057	3.8501	3.1994	3.8501
H7	2.2174	1.0818	2.2368	3.1287	3.5403	1.8124		2.5309	3.1129	3.8501	3.1994	3.8501	4.4057
H8	2.2174	2.2368	1.0818	3.1287	3.5403	3.1129	2.5309		1.8124	3.1994	3.8501	4.4057	3.8501
H9	2.2174	2.2368	1.0818	3.5403	3.1287	2.5309	3.1129	1.8124		3.8501	4.4057	3.8501	3.1994
H10	2.2174	3.5403	3.1287	1.0818	2.2368	4.4057	3.8501	3.1994	3.8501		1.8124	3.1129	2.5309
H11	2.2174	3.1287	3.5403	1.0818	2.2368	3.8501	3.1994	3.8501	4.4057	1.8124		2.5309	3.1129
H12	2.2174	3.1287	3.5403	2.2368	1.0818	3.1994	3.8501	4.4057	3.8501	3.1129	2.5309		1.8124
H13	2.2174	3.5403	3.1287	2.2368	1.0818	3.8501	4.4057	3.8501	3.1994	2.5309	3.1129	1.8124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.353	C1	C2	H6	118.627
C1	C2	H7	118.627	C1	C3	C2	59.353
C1	C3	H8	118.627	C1	C3	H9	118.627
C1	C4	C5	59.353	C1	C4	H10	118.627
C1	C4	H11	118.627	C1	C5	C4	59.353
C1	C5	H12	118.627	C1	C5	H13	118.627
C2	C1	C3	61.293	C2	C1	C4	137.745
C2	C1	C5	137.745	C2	C3	H8	118.020
C2	C3	H9	118.020	C3	C1	C4	137.745
C3	C1	C5	137.745	C3	C2	H6	118.020
C3	C2	H7	118.020	C4	C1	C5	61.293
C4	C5	H12	118.020	C4	C5	H13	118.020
C5	C4	H10	118.020	C5	C4	H11	118.020
H6	C2	H7	113.793	H8	C3	H9	113.793
H10	C4	H11	113.793	H12	C5	H13	113.793

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	-0.019
2	C	-0.134
3	C	-0.134
4	C	-0.134
5	C	-0.134
6	H	0.069
7	H	0.069
8	H	0.069
9	H	0.069
10	H	0.069
11	H	0.069
12	H	0.069
13	H	0.069

<r²>	110.988
(<r²>)^1/2	10.535

All results from a given calculation for C5H8 (Spiropentane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)