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	hartrees
Energy at 0K	-195.018556
Energy at 298.15K	-195.026880
Nuclear repulsion energy	166.713536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3087	3043	8.73
2	A'	3074	3030	39.38
3	A'	3035	2992	18.95
4	A'	3017	2973	40.94
5	A'	2984	2942	12.91
6	A'	1718	1694	19.63
7	A'	1478	1457	0.02
8	A'	1453	1432	1.75
9	A'	1416	1396	0.54
10	A'	1231	1214	0.13
11	A'	1196	1179	0.06
12	A'	1067	1052	0.10
13	A'	964	950	0.34
14	A'	875	862	0.28
15	A'	854	842	41.11
16	A'	738	727	2.50
17	A'	647	638	1.60
18	A'	373	367	5.05
19	A'	107	105	0.03
20	A"	3166	3120	13.71
21	A"	3039	2995	19.50
22	A"	2980	2937	42.82
23	A"	1439	1418	2.49
24	A"	1255	1237	0.21
25	A"	1215	1197	0.05
26	A"	1191	1174	1.40
27	A"	1161	1145	2.41
28	A"	1020	1006	0.15
29	A"	922	909	0.85
30	A"	894	881	0.77
31	A"	793	781	0.16
32	A"	626	617	0.14
33	A"	345	340	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	-0.380	1.094
C2	0.266	-0.380	-1.094
C3	-0.113	0.613	0.000
C4	0.266	-1.493	0.000
C5	-0.718	1.806	0.000
H6	-0.427	-0.490	1.946
H7	-0.427	-0.490	-1.946
H8	1.280	-0.196	1.497
H9	1.280	-0.196	-1.497
H10	-0.977	2.318	0.933
H11	-0.977	2.318	-0.933
H12	1.114	-2.197	0.000
H13	-0.674	-2.068	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1877	1.5250	1.5611	2.6351	1.1037	3.1195	1.1062	2.7878	2.9750	3.5964	2.2846	2.2204
C2	2.1877		1.5250	1.5611	2.6351	3.1195	1.1037	2.7878	1.1062	3.5964	2.9750	2.2846	2.2204
C3	1.5250	1.5250		2.1401	1.3380	2.2582	2.2582	2.1989	2.1989	2.1274	2.1274	3.0665	2.7383
C4	1.5611	1.5611	2.1401		3.4435	2.2964	2.2964	2.2251	2.2251	4.1165	4.1165	1.1018	1.1019
C5	2.6351	2.6351	1.3380	3.4435		3.0238	3.0238	3.2001	3.2001	1.0956	1.0956	4.4030	3.8743
H6	1.1037	3.1195	2.2582	2.2964	3.0238		3.8915	1.7891	3.8534	3.0351	4.0592	3.0126	2.5173
H7	3.1195	1.1037	2.2582	2.2964	3.0238	3.8915		3.8534	1.7891	4.0592	3.0351	3.0126	2.5173
H8	1.1062	2.7878	2.1989	2.2251	3.2001	1.7891	3.8534		2.9932	3.4254	4.1619	2.5048	3.0922
H9	2.7878	1.1062	2.1989	2.2251	3.2001	3.8534	1.7891	2.9932		4.1619	3.4254	2.5048	3.0922
H10	2.9750	3.5964	2.1274	4.1165	1.0956	3.0351	4.0592	3.4254	4.1619		1.8668	5.0631	4.4941
H11	3.5964	2.9750	2.1274	4.1165	1.0956	4.0592	3.0351	4.1619	3.4254	1.8668		5.0631	4.4941
H12	2.2846	2.2846	3.0665	1.1018	4.4030	3.0126	3.0126	2.5048	2.5048	5.0631	5.0631		1.7928
H13	2.2204	2.2204	2.7383	1.1019	3.8743	2.5173	2.5173	3.0922	3.0922	4.4941	4.4941	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.663	C1	C3	C5	133.873
C1	C4	C2	88.964	C1	C4	H12	117.121
C1	C4	H13	111.823	C2	C3	C5	133.873
C2	C4	H12	117.121	C2	C4	H13	111.823
C3	C1	C4	87.806	C3	C1	H6	117.533
C3	C1	H8	112.410	C3	C2	C4	87.806
C3	C2	H7	117.533	C3	C2	H9	112.410
C3	C5	H10	121.577	C3	C5	H11	121.577
C4	C1	H6	118.013	C4	C1	H8	111.941
C4	C2	H7	118.013	C4	C2	H9	111.941
H6	C1	H8	108.115	H7	C2	H9	108.115
H10	C5	H11	116.845	H12	C4	H13	108.886

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

using model chemistry: PBEPBE/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	-0.352
2	C	-0.352
3	C	0.223
4	C	-0.314
5	C	-0.459
6	H	0.162
7	H	0.162
8	H	0.166
9	H	0.166
10	H	0.143
11	H	0.143
12	H	0.149
13	H	0.162

	x	y	z	Total
	0.196	-0.512	0.000	0.548
CHELPG
AIM
ESP

	x	y	z
x	6.268	-1.753	0.000
y	-1.753	9.158	0.000
z	0.000	0.000	7.522

<r²>	116.674
(<r²>)^1/2	10.802

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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