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	hartrees
Energy at 0K	-33.019738
Energy at 298.15K	-33.028119
Nuclear repulsion energy	90.016718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	3013	13.85
2	A'	3104	3009	74.25
3	A'	3068	2974	26.12
4	A'	3046	2953	61.37
5	A'	3020	2928	16.35
6	A'	1714	1661	24.38
7	A'	1510	1464	0.07
8	A'	1483	1437	1.48
9	A'	1436	1392	0.44
10	A'	1260	1221	0.96
11	A'	1214	1177	0.22
12	A'	1086	1053	0.19
13	A'	955	926	0.64
14	A'	886	859	53.59
15	A'	874	848	2.14
16	A'	735	713	1.51
17	A'	658	637	1.95
18	A'	372	361	6.45
19	A'	102	99	0.03
20	A"	3191	3093	22.33
21	A"	3072	2978	24.47
22	A"	3017	2924	71.99
23	A"	1471	1426	2.15
24	A"	1279	1240	0.01
25	A"	1239	1201	0.00
26	A"	1216	1179	1.11
27	A"	1182	1146	2.22
28	A"	1038	1006	0.15
29	A"	913	885	1.26
30	A"	898	870	1.57
31	A"	803	778	0.05
32	A"	635	615	0.09
33	A"	345	335	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.177	-0.425	1.103
C2	0.177	-0.425	-1.103
C3	0.000	0.630	0.000
C4	-0.009	-1.531	0.000
C5	-0.346	1.922	0.000
H6	-0.543	-0.407	1.931
H7	-0.543	-0.407	-1.931
H8	1.192	-0.427	1.527
H9	1.192	-0.427	-1.527
H10	-0.493	2.473	0.930
H11	-0.493	2.473	-0.930
H12	0.714	-2.355	0.000
H13	-1.023	-1.946	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2069	1.5368	1.5732	2.6460	1.0973	3.1188	1.0996	2.8191	2.9795	3.6030	2.2867	2.2299
C2	2.2069		1.5368	1.5732	2.6460	3.1188	1.0973	2.8191	1.0996	3.6030	2.9795	2.2867	2.2299
C3	1.5368	1.5368		2.1605	1.3381	2.2578	2.2578	2.2063	2.2063	2.1224	2.1224	3.0687	2.7715
C4	1.5732	1.5732	2.1605		3.4694	2.2973	2.2973	2.2344	2.2344	4.1385	4.1385	1.0959	1.0960
C5	2.6460	2.6460	1.3381	3.4694		3.0318	3.0318	3.1960	3.1960	1.0905	1.0905	4.4064	3.9270
H6	1.0973	3.1188	2.2578	2.2973	3.0318		3.8620	1.7818	3.8686	3.0489	4.0593	3.0171	2.5157
H7	3.1188	1.0973	2.2578	2.2973	3.0318	3.8620		3.8686	1.7818	4.0593	3.0489	3.0171	2.5157
H8	1.0996	2.8191	2.2063	2.2344	3.1960	1.7818	3.8686		3.0531	3.4063	4.1571	2.5056	3.0899
H9	2.8191	1.0996	2.2063	2.2344	3.1960	3.8686	1.7818	3.0531		4.1571	3.4063	2.5056	3.0899
H10	2.9795	3.6030	2.1224	4.1385	1.0905	3.0489	4.0593	3.4063	4.1571		1.8597	5.0623	4.5464
H11	3.6030	2.9795	2.1224	4.1385	1.0905	4.0593	3.0489	4.1571	3.4063	1.8597		5.0623	4.5464
H12	2.2867	2.2867	3.0687	1.0959	4.4064	3.0171	3.0171	2.5056	2.5056	5.0623	5.0623		1.7842
H13	2.2299	2.2299	2.7715	1.0960	3.9270	2.5157	2.5157	3.0899	3.0899	4.5464	4.5464	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.785	C1	C3	C5	133.857
C1	C4	C2	89.082	C1	C4	H12	116.775
C1	C4	H13	112.076	C2	C3	C5	133.857
C2	C4	H12	116.775	C2	C4	H13	112.076
C3	C1	C4	88.000	C3	C1	H6	117.019
C3	C1	H8	112.567	C3	C2	C4	88.000
C3	C2	H7	117.019	C3	C2	H9	112.567
C3	C5	H10	121.500	C3	C5	H11	121.500
C4	C1	H6	117.580	C4	C1	H8	112.226
C4	C2	H7	117.580	C4	C2	H9	112.226
H6	C1	H8	108.405	H7	C2	H9	108.405
H10	C5	H11	116.999	H12	C4	H13	108.975

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

using model chemistry: B3LYP/CEP-121G*

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	-0.489
2	C	-0.489
3	C	0.596
4	C	-0.285
5	C	-0.646
6	H	0.168
7	H	0.168
8	H	0.165
9	H	0.165
10	H	0.163
11	H	0.163
12	H	0.160
13	H	0.162

	x	y	z	Total
	0.088	-0.596	0.000	0.602
CHELPG
AIM
ESP

	x	y	z
x	10.988	0.004	-0.427
y	0.004	8.225	-0.000
z	-0.427	-0.000	6.316

<r²>	99.108
(<r²>)^1/2	9.955

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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