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	hartrees
Energy at 0K	-195.162249
Energy at 298.15K	-195.170575
HF Energy	-195.162249
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	3031	13.70
2	A'	3083	3023	54.54
3	A'	3042	2982	28.48
4	A'	3025	2966	50.29
5	A'	2992	2934	15.90
6	A'	1724	1690	17.44
7	A'	1498	1468	0.18
8	A'	1473	1444	1.16
9	A'	1434	1406	0.30
10	A'	1247	1222	0.76
11	A'	1208	1185	0.13
12	A'	1081	1060	0.11
13	A'	955	936	0.29
14	A'	875	858	0.48
15	A'	859	842	39.76
16	A'	740	726	1.98
17	A'	660	647	1.36
18	A'	369	362	4.62
19	A'	95	93	0.03
20	A"	3169	3107	20.09
21	A"	3045	2985	22.43
22	A"	2988	2929	59.43
23	A"	1460	1431	1.19
24	A"	1266	1241	0.25
25	A"	1228	1204	0.00
26	A"	1205	1181	1.04
27	A"	1171	1148	2.01
28	A"	1033	1013	0.13
29	A"	912	895	0.65
30	A"	898	881	1.08
31	A"	801	785	0.10
32	A"	631	619	0.11
33	A"	346	339	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.250	-0.385	1.095
C2	0.250	-0.385	-1.095
C3	-0.105	0.616	0.000
C4	0.250	-1.501	0.000
C5	-0.675	1.823	0.000
H6	-0.457	-0.489	1.931
H7	-0.457	-0.489	-1.931
H8	1.255	-0.215	1.514
H9	1.255	-0.215	-1.514
H10	-0.919	2.340	0.931
H11	-0.919	2.340	-0.931
H12	1.100	-2.196	0.000
H13	-0.684	-2.077	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1907	1.5257	1.5634	2.6331	1.0998	3.1096	1.1021	2.8015	2.9699	3.5914	2.2806	2.2214
C2	2.1907		1.5257	1.5634	2.6331	3.1096	1.0998	2.8015	1.1021	3.5914	2.9699	2.2806	2.2214
C3	1.5257	1.5257		2.1460	1.3354	2.2521	2.2521	2.1983	2.1983	2.1218	2.1218	3.0590	2.7542
C4	1.5634	1.5634	2.1460		3.4504	2.2920	2.2920	2.2261	2.2261	4.1211	4.1211	1.0978	1.0978
C5	2.6331	2.6331	1.3354	3.4504		3.0199	3.0199	3.1896	3.1896	1.0921	1.0921	4.3938	3.9001
H6	1.0998	3.1096	2.2521	2.2920	3.0199		3.8616	1.7839	3.8569	3.0352	4.0498	3.0114	2.5104
H7	3.1096	1.0998	2.2521	2.2920	3.0199	3.8616		3.8569	1.7839	4.0498	3.0352	3.0114	2.5104
H8	1.1021	2.8015	2.1983	2.2261	3.1896	1.7839	3.8569		3.0281	3.4054	4.1513	2.4983	3.0856
H9	2.8015	1.1021	2.1983	2.2261	3.1896	3.8569	1.7839	3.0281		4.1513	3.4054	2.4983	3.0856
H10	2.9699	3.5914	2.1218	4.1211	1.0921	3.0352	4.0498	3.4054	4.1513		1.8614	5.0514	4.5197
H11	3.5914	2.9699	2.1218	4.1211	1.0921	4.0498	3.0352	4.1513	3.4054	1.8614		5.0514	4.5197
H12	2.2806	2.2806	3.0590	1.0978	4.3938	3.0114	3.0114	2.4983	2.4983	5.0514	5.0514		1.7880
H13	2.2214	2.2214	2.7542	1.0978	3.9001	2.5104	2.5104	3.0856	3.0856	4.5197	4.5197	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.716	C1	C3	C5	133.981
C1	C4	C2	89.103	C1	C4	H12	116.731
C1	C4	H13	112.201	C2	C3	C5	133.981
C2	C4	H12	116.731	C2	C4	H13	112.201
C3	C1	C4	88.263	C3	C1	H6	116.909
C3	C1	H8	112.593	C3	C2	C4	88.263
C3	C2	H7	116.909	C3	C2	H9	112.593
C3	C5	H10	121.640	C3	C5	H11	121.640
C4	C1	H6	117.378	C4	C1	H8	112.451
C4	C2	H7	117.378	C4	C2	H9	112.451
H6	C1	H8	108.280	H7	C2	H9	108.280
H10	C5	H11	116.720	H12	C4	H13	108.840

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

using model chemistry: B97D3/6-31G*

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	-0.332
2	C	-0.332
3	C	0.215
4	C	-0.294
5	C	-0.444
6	H	0.153
7	H	0.153
8	H	0.156
9	H	0.156
10	H	0.138
11	H	0.138
12	H	0.141
13	H	0.152

	x	y	z	Total
	0.175	-0.506	0.000	0.535
CHELPG
AIM
ESP

	x	y	z
x	6.157	-1.675	0.000
y	-1.675	9.232	0.000
z	0.000	0.000	7.497

<r²>	116.665
(<r²>)^1/2	10.801

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

using model chemistry: B97D3/6-31G*

States and conformations

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