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	hartrees
Energy at 0K	-191.633939
Energy at 298.15K	-191.642620
Nuclear repulsion energy	167.495503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3750	3062	1.65
2	A'	3724	3041	1.22
3	A'	3652	2982	24.96
4	A'	3624	2959	1.91
5	A'	3602	2941	0.07
6	A'	2121	1732	0.08
7	A'	1823	1488	0.85
8	A'	1793	1464	0.22
9	A'	1718	1402	0.70
10	A'	1563	1276	15.35
11	A'	1448	1183	0.01
12	A'	1298	1060	0.23
13	A'	1169	954	0.82
14	A'	1130	922	17.62
15	A'	1038	848	0.40
16	A'	872	712	0.97
17	A'	794	648	0.37
18	A'	440	359	1.25
19	A'	85	70	0.04
20	A"	3804	3106	0.01
21	A"	3724	3040	0.00
22	A"	3601	2940	0.34
23	A"	1791	1463	0.04
24	A"	1587	1296	3.25
25	A"	1518	1239	0.12
26	A"	1457	1190	0.00
27	A"	1450	1184	1.80
28	A"	1252	1022	0.00
29	A"	1164	951	0.01
30	A"	1083	884	0.01
31	A"	981	801	0.00
32	A"	772	631	0.00
33	A"	396	324	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.433	1.102
C2	0.000	0.433	-1.102
C3	0.000	-0.631	0.000
C4	-0.000	1.532	0.000
C5	0.000	-1.936	0.000
H6	0.884	0.427	1.737
H7	0.884	0.427	-1.737
H8	-0.884	0.427	1.737
H9	-0.884	0.427	-1.737
H10	-0.000	-2.509	0.917
H11	-0.000	-2.509	-0.917
H12	-0.884	2.163	0.000
H13	0.884	2.164	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2043	1.5316	1.5562	2.6132	1.0884	2.9736	1.0884	2.9737	2.9479	3.5683	2.2339	2.2340
C2	2.2043		1.5316	1.5562	2.6132	2.9736	1.0884	2.9737	1.0884	3.5683	2.9479	2.2339	2.2340
C3	1.5316	1.5316		2.1622	1.3059	2.2173	2.2173	2.2173	2.2173	2.0904	2.0904	2.9305	2.9306
C4	1.5562	1.5562	2.1622		3.4680	2.2405	2.2405	2.2406	2.2406	4.1435	4.1435	1.0864	1.0864
C5	2.6132	2.6132	1.3059	3.4680		3.0631	3.0631	3.0631	3.0631	1.0811	1.0811	4.1940	4.1943
H6	1.0884	2.9736	2.2173	2.2405	3.0631		3.4740	1.7680	3.8981	3.1738	4.0551	3.0264	2.4565
H7	2.9736	1.0884	2.2173	2.2405	3.0631	3.4740		3.8981	1.7680	4.0551	3.1738	3.0264	2.4565
H8	1.0884	2.9737	2.2173	2.2406	3.0631	1.7680	3.8981		3.4744	3.1736	4.0550	2.4565	3.0265
H9	2.9737	1.0884	2.2173	2.2406	3.0631	3.8981	1.7680	3.4744		4.0550	3.1736	2.4565	3.0265
H10	2.9479	3.5683	2.0904	4.1435	1.0811	3.1738	4.0551	3.1736	4.0550		1.8338	4.8430	4.8432
H11	3.5683	2.9479	2.0904	4.1435	1.0811	4.0551	3.1738	4.0550	3.1736	1.8338		4.8430	4.8432
H12	2.2339	2.2339	2.9305	1.0864	4.1940	3.0264	3.0264	2.4565	2.4565	4.8430	4.8430		1.7675
H13	2.2340	2.2340	2.9306	1.0864	4.1943	2.4565	2.4565	3.0265	3.0265	4.8432	4.8432	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.041	C1	C3	C5	133.980
C1	C4	C2	90.183	C1	C4	H12	114.242
C1	C4	H13	114.249	C2	C3	C5	133.980
C2	C4	H12	114.242	C2	C4	H13	114.249
C3	C1	C4	88.888	C3	C1	H6	114.560
C3	C1	H8	114.566	C3	C2	C4	88.888
C3	C2	H7	114.560	C3	C2	H9	114.566
C3	C5	H10	121.988	C3	C5	H11	121.988
C4	C1	H6	114.663	C4	C1	H8	114.669
C4	C2	H7	114.663	C4	C2	H9	114.669
H6	C1	H8	108.619	H7	C2	H9	108.619
H10	C5	H11	116.023	H12	C4	H13	108.864

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)

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	-0.117
2	C	-0.117
3	C	0.022
4	C	-0.104
5	C	-0.159
6	H	0.061
7	H	0.061
8	H	0.061
9	H	0.061
10	H	0.060
11	H	0.060
12	H	0.056
13	H	0.056

<r²>	115.565
(<r²>)^1/2	10.750

All results from a given calculation for C5H8 (Cyclobutane, methylene-)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)