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	hartrees
Energy at 0K	-31.916273
Energy at 298.15K	-31.925160
Nuclear repulsion energy	91.321675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3323	2995	0.00
2	A₁	1628	1468	0.00
3	A₁	1214	1094	0.00
4	A₁	1126	1015	0.00
5	A₁	624	562	0.00
6	A₂	3394	3059	0.00
7	A₂	1240	1117	0.00
8	A₂	883	796	0.00
9	B₁	3401	3066	0.00
10	B₁	1273	1148	0.00
11	B₁	1105	996	0.00
12	B₁	310	280	0.00
13	B₂	3322	2994	64.36
14	B₂	1732	1561	1.86
15	B₂	1553	1400	3.43
16	B₂	1158	1043	8.28
17	B₂	959	864	56.91
18	E	3419	3082	78.47
18	E	3419	3082	78.47
19	E	3310	2984	54.15
19	E	3310	2984	54.15
20	E	1591	1434	2.07
20	E	1591	1434	2.07
21	E	1286	1159	7.69
21	E	1286	1159	7.69
22	E	1229	1107	1.13
22	E	1229	1107	1.13
23	E	945	852	12.54
23	E	945	852	12.54
24	E	845	762	1.80
24	E	845	762	1.80
25	E	321	289	0.33
25	E	321	289	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.776	1.286
C3	0.000	-0.776	1.286
C4	-0.776	0.000	-1.286
C5	0.776	0.000	-1.286
H6	0.907	1.278	1.588
H7	-0.907	1.278	1.588
H8	-0.907	-1.278	1.588
H9	0.907	-1.278	1.588
H10	-1.278	-0.907	-1.588
H11	-1.278	0.907	-1.588
H12	1.278	0.907	-1.588
H13	1.278	-0.907	-1.588

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5024	1.5024	1.5024	1.5024	2.2314	2.2314	2.2314	2.2314	2.2314	2.2314	2.2314	2.2314
C2	1.5024		1.5524	2.7971	2.7971	1.0800	1.0800	2.2659	2.2659	3.5681	3.1486	3.1486	3.5681
C3	1.5024	1.5524		2.7971	2.7971	2.2659	2.2659	1.0800	1.0800	3.1486	3.5681	3.5681	3.1486
C4	1.5024	2.7971	2.7971		1.5524	3.5681	3.1486	3.1486	3.5681	1.0800	1.0800	2.2659	2.2659
C5	1.5024	2.7971	2.7971	1.5524		3.1486	3.5681	3.5681	3.1486	2.2659	2.2659	1.0800	1.0800
H6	2.2314	1.0800	2.2659	3.5681	3.1486		1.8149	3.1347	2.5559	4.4320	3.8735	3.2195	3.8735
H7	2.2314	1.0800	2.2659	3.1486	3.5681	1.8149		2.5559	3.1347	3.8735	3.2195	3.8735	4.4320
H8	2.2314	2.2659	1.0800	3.1486	3.5681	3.1347	2.5559		1.8149	3.2195	3.8735	4.4320	3.8735
H9	2.2314	2.2659	1.0800	3.5681	3.1486	2.5559	3.1347	1.8149		3.8735	4.4320	3.8735	3.2195
H10	2.2314	3.5681	3.1486	1.0800	2.2659	4.4320	3.8735	3.2195	3.8735		1.8149	3.1347	2.5559
H11	2.2314	3.1486	3.5681	1.0800	2.2659	3.8735	3.2195	3.8735	4.4320	1.8149		2.5559	3.1347
H12	2.2314	3.1486	3.5681	2.2659	1.0800	3.2195	3.8735	4.4320	3.8735	3.1347	2.5559		1.8149
H13	2.2314	3.5681	3.1486	2.2659	1.0800	3.8735	4.4320	3.8735	3.2195	2.5559	3.1347	1.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.893	C1	C2	H6	118.646
C1	C2	H7	118.646	C1	C3	C2	58.893
C1	C3	H8	118.646	C1	C3	H9	118.646
C1	C4	C5	58.893	C1	C4	H10	118.646
C1	C4	H11	118.646	C1	C5	C4	58.893
C1	C5	H12	118.646	C1	C5	H13	118.646
C2	C1	C3	62.215	C2	C1	C4	137.145
C2	C1	C5	137.145	C2	C3	H8	117.683
C2	C3	H9	117.683	C3	C1	C4	137.145
C3	C1	C5	137.145	C3	C2	H6	117.683
C3	C2	H7	117.683	C4	C1	C5	62.215
C4	C5	H12	117.683	C4	C5	H13	117.683
C5	C4	H10	117.683	C5	C4	H11	117.683
H6	C2	H7	114.330	H8	C3	H9	114.330
H10	C4	H11	114.330	H12	C5	H13	114.330

All results from a given calculation for C₅H₈ (Spiropentane)

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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Number	Element	Mulliken
1	C	0.084
2	C	-0.299
3	C	-0.299
4	C	-0.299
5	C	-0.299
6	H	0.139
7	H	0.139
8	H	0.139
9	H	0.139
10	H	0.139
11	H	0.139
12	H	0.139
13	H	0.139

<r²>	95.789
(<r²>)^1/2	9.787

All results from a given calculation for C5H8 (Spiropentane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)