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	hartrees
Energy at 0K	-193.962367
Energy at 298.15K	-193.971330
Nuclear repulsion energy	171.311132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	2961	0.00
2	A₁	1620	1472	0.00
3	A₁	1192	1083	0.00
4	A₁	1126	1023	0.00
5	A₁	641	583	0.00
6	A₂	3328	3023	0.00
7	A₂	1270	1154	0.00
8	A₂	905	822	0.00
9	B₁	3328	3023	0.00
10	B₁	1281	1164	0.00
11	B₁	1109	1008	0.00
12	B₁	315	286	0.00
13	B₂	3258	2960	44.36
14	B₂	1714	1557	1.94
15	B₂	1537	1397	0.30
16	B₂	1127	1024	5.21
17	B₂	973	884	35.87
18	E	3343	3037	38.42
18	E	3343	3037	38.42
19	E	3250	2953	34.83
19	E	3250	2953	34.83
20	E	1579	1435	1.17
20	E	1579	1435	1.17
21	E	1282	1165	2.92
21	E	1282	1165	2.92
22	E	1194	1085	0.51
22	E	1194	1085	0.51
23	E	955	868	9.80
23	E	955	868	9.80
24	E	844	767	0.39
24	E	844	767	0.39
25	E	333	302	0.15
25	E	333	302	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.760	1.264
C3	0.000	-0.760	1.264
C4	-0.760	0.000	-1.264
C5	0.760	0.000	-1.264
H6	0.906	1.259	1.564
H7	-0.906	1.259	1.564
H8	-0.906	-1.259	1.564
H9	0.906	-1.259	1.564
H10	-1.259	-0.906	-1.564
H11	-1.259	0.906	-1.564
H12	1.259	0.906	-1.564
H13	1.259	-0.906	-1.564

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4753	1.4753	1.4753	1.4753	2.2026	2.2026	2.2026	2.2026	2.2026	2.2026	2.2026	2.2026
C2	1.4753		1.5203	2.7479	2.7479	1.0768	1.0768	2.2331	2.2331	3.5157	3.0992	3.0992	3.5157
C3	1.4753	1.5203		2.7479	2.7479	2.2331	2.2331	1.0768	1.0768	3.0992	3.5157	3.5157	3.0992
C4	1.4753	2.7479	2.7479		1.5203	3.5157	3.0992	3.0992	3.5157	1.0768	1.0768	2.2331	2.2331
C5	1.4753	2.7479	2.7479	1.5203		3.0992	3.5157	3.5157	3.0992	2.2331	2.2331	1.0768	1.0768
H6	2.2026	1.0768	2.2331	3.5157	3.0992		1.8123	3.1021	2.5176	4.3768	3.8202	3.1672	3.8202
H7	2.2026	1.0768	2.2331	3.0992	3.5157	1.8123		2.5176	3.1021	3.8202	3.1672	3.8202	4.3768
H8	2.2026	2.2331	1.0768	3.0992	3.5157	3.1021	2.5176		1.8123	3.1672	3.8202	4.3768	3.8202
H9	2.2026	2.2331	1.0768	3.5157	3.0992	2.5176	3.1021	1.8123		3.8202	4.3768	3.8202	3.1672
H10	2.2026	3.5157	3.0992	1.0768	2.2331	4.3768	3.8202	3.1672	3.8202		1.8123	3.1021	2.5176
H11	2.2026	3.0992	3.5157	1.0768	2.2331	3.8202	3.1672	3.8202	4.3768	1.8123		2.5176	3.1021
H12	2.2026	3.0992	3.5157	2.2331	1.0768	3.1672	3.8202	4.3768	3.8202	3.1021	2.5176		1.8123
H13	2.2026	3.5157	3.0992	2.2331	1.0768	3.8202	4.3768	3.8202	3.1672	2.5176	3.1021	1.8123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.988	C1	C2	H6	118.484
C1	C2	H7	118.484	C1	C3	C2	58.988
C1	C3	H8	118.484	C1	C3	H9	118.484
C1	C4	C5	58.988	C1	C4	H10	118.484
C1	C4	H11	118.484	C1	C5	C4	58.988
C1	C5	H12	118.484	C1	C5	H13	118.484
C2	C1	C3	62.025	C2	C1	C4	137.269
C2	C1	C5	137.269	C2	C3	H8	117.589
C2	C3	H9	117.589	C3	C1	C4	137.269
C3	C1	C5	137.269	C3	C2	H6	117.589
C3	C2	H7	117.589	C4	C1	C5	62.025
C4	C5	H12	117.589	C4	C5	H13	117.589
C5	C4	H10	117.589	C5	C4	H11	117.589
H6	C2	H7	114.609	H8	C3	H9	114.609
H10	C4	H11	114.609	H12	C5	H13	114.609

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: HF/6-311G**

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	-0.122
2	C	-0.193
3	C	-0.193
4	C	-0.193
5	C	-0.193
6	H	0.112
7	H	0.112
8	H	0.112
9	H	0.112
10	H	0.112
11	H	0.112
12	H	0.112
13	H	0.112

<r²>	110.807
(<r²>)^1/2	10.526

All results from a given calculation for C5H8 (Spiropentane)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)