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	hartrees
Energy at 0K	-195.198129
Energy at 298.15K	-195.206417
Nuclear repulsion energy	165.710612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3053	3048	9.48
2	A'	3047	3042	45.75
3	A'	3008	3002	18.97
4	A'	2992	2986	47.00
5	A'	2960	2954	12.94
6	A'	1675	1672	30.21
7	A'	1446	1443	0.08
8	A'	1423	1421	1.31
9	A'	1389	1386	0.57
10	A'	1196	1194	0.22
11	A'	1171	1169	0.45
12	A'	1047	1045	0.99
13	A'	932	930	0.54
14	A'	872	871	42.09
15	A'	848	846	0.82
16	A'	719	718	1.48
17	A'	648	646	1.54
18	A'	368	367	6.90
19	A'	97	97	0.07
20	A"	3137	3131	15.04
21	A"	3011	3005	20.04
22	A"	2956	2950	53.27
23	A"	1408	1405	4.62
24	A"	1221	1219	0.10
25	A"	1189	1186	0.04
26	A"	1164	1162	0.40
27	A"	1134	1132	1.24
28	A"	995	993	0.09
29	A"	882	880	0.22
30	A"	872	871	2.23
31	A"	776	774	0.03
32	A"	614	613	0.05
33	A"	344	343	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.238	-0.392	1.104
C2	0.238	-0.392	-1.104
C3	-0.100	0.619	0.000
C4	0.238	-1.517	0.000
C5	-0.641	1.848	0.000
H6	-0.486	-0.488	1.933
H7	-0.486	-0.488	-1.933
H8	1.245	-0.230	1.536
H9	1.245	-0.230	-1.536
H10	-0.876	2.372	0.936
H11	-0.876	2.372	-0.936
H12	1.097	-2.209	0.000
H13	-0.698	-2.101	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2079	1.5350	1.5757	2.6480	1.1051	3.1240	1.1074	2.8300	2.9852	3.6119	2.2930	2.2391
C2	2.2079		1.5350	1.5757	2.6480	3.1240	1.1051	2.8300	1.1074	3.6119	2.9852	2.2930	2.2391
C3	1.5350	1.5350		2.1625	1.3430	2.2612	2.2612	2.2106	2.2106	2.1334	2.1334	3.0713	2.7853
C4	1.5757	1.5757	2.1625		3.4778	2.3068	2.3068	2.2424	2.2424	4.1521	4.1521	1.1033	1.1033
C5	2.6480	2.6480	1.3430	3.4778		3.0362	3.0362	3.1990	3.1990	1.0982	1.0982	4.4141	3.9494
H6	1.1051	3.1240	2.2612	2.3068	3.0362		3.8669	1.7943	3.8856	3.0535	4.0700	3.0344	2.5270
H7	3.1240	1.1051	2.2612	2.3068	3.0362	3.8669		3.8856	1.7943	4.0700	3.0535	3.0344	2.5270
H8	1.1074	2.8300	2.2106	2.2424	3.1990	1.7943	3.8856		3.0719	3.4099	4.1688	2.5099	3.1038
H9	2.8300	1.1074	2.2106	2.2424	3.1990	3.8856	1.7943	3.0719		4.1688	3.4099	2.5099	3.1038
H10	2.9852	3.6119	2.1334	4.1521	1.0982	3.0535	4.0700	3.4099	4.1688		1.8725	5.0753	4.5732
H11	3.6119	2.9852	2.1334	4.1521	1.0982	4.0700	3.0535	4.1688	3.4099	1.8725		5.0753	4.5732
H12	2.2930	2.2930	3.0713	1.1033	4.4141	3.0344	3.0344	2.5099	2.5099	5.0753	5.0753		1.7980
H13	2.2391	2.2391	2.7853	1.1033	3.9494	2.5270	2.5270	3.1038	3.1038	4.5732	4.5732	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.977	C1	C3	C5	133.771
C1	C4	C2	88.954	C1	C4	H12	116.618
C1	C4	H13	112.197	C2	C3	C5	133.771
C2	C4	H12	116.618	C2	C4	H13	112.197
C3	C1	C4	88.075	C3	C1	H6	116.911
C3	C1	H8	112.563	C3	C2	C4	88.075
C3	C2	H7	116.911	C3	C2	H9	112.563
C3	C5	H10	121.515	C3	C5	H11	121.515
C4	C1	H6	117.669	C4	C1	H8	112.211
C4	C2	H7	117.669	C4	C2	H9	112.211
H6	C1	H8	108.382	H7	C2	H9	108.382
H10	C5	H11	116.968	H12	C4	H13	109.135

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.957
2	C	0.957
3	C	0.262
4	C	1.503
5	C	1.265
6	H	-0.643
7	H	-0.643
8	H	-0.497
9	H	-0.497
10	H	-0.701
11	H	-0.701
12	H	-0.669
13	H	-0.597

	x	y	z	Total
	0.188	-0.565	0.000	0.595
CHELPG
AIM
ESP

	x	y	z
x	8.144	-1.468	0.000
y	-1.468	11.582	0.000
z	0.000	0.000	9.388

<r²>	118.906
(<r²>)^1/2	10.904

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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