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	hartrees
Energy at 0K	-32.034180
Energy at 298.15K	-32.042843
Nuclear repulsion energy	90.379364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	2985	19.37
2	A'	3314	2976	133.42
3	A'	3279	2945	15.43
4	A'	3254	2922	77.74
5	A'	3235	2905	22.26
6	A'	1906	1711	24.85
7	A'	1637	1470	0.38
8	A'	1600	1437	1.93
9	A'	1549	1391	1.01
10	A'	1392	1250	5.25
11	A'	1320	1185	0.35
12	A'	1123	1009	0.85
13	A'	1033	928	0.94
14	A'	1003	900	72.27
15	A'	953	856	0.38
16	A'	786	706	1.73
17	A'	701	630	3.04
18	A'	374	336	8.41
19	A'	119	106	0.10
20	A"	3394	3047	27.60
21	A"	3292	2956	17.02
22	A"	3234	2905	94.63
23	A"	1598	1435	1.27
24	A"	1413	1269	0.43
25	A"	1364	1225	0.01
26	A"	1325	1190	0.63
27	A"	1297	1165	2.32
28	A"	1126	1011	0.06
29	A"	997	896	1.92
30	A"	969	870	0.90
31	A"	859	771	0.33
32	A"	683	613	0.43
33	A"	361	324	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.188	-0.425	1.099
C2	0.188	-0.425	-1.099
C3	0.000	0.626	0.000
C4	-0.004	-1.522	0.000
C5	-0.372	1.917	0.000
H6	-0.524	-0.409	1.923
H7	-0.524	-0.409	-1.923
H8	1.201	-0.421	1.505
H9	1.201	-0.421	-1.505
H10	-0.527	2.457	0.926
H11	-0.527	2.457	-0.926
H12	0.709	-2.345	0.000
H13	-1.015	-1.928	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1982	1.5325	1.5645	2.6474	1.0891	3.1051	1.0911	2.7944	2.9751	3.5949	2.2725	2.2167
C2	2.1982		1.5325	1.5645	2.6474	3.1051	1.0891	2.7944	1.0911	3.5949	2.9751	2.2725	2.2167
C3	1.5325	1.5325		2.1478	1.3438	2.2459	2.2459	2.1916	2.1916	2.1190	2.1190	3.0542	2.7482
C4	1.5645	1.5645	2.1478		3.4587	2.2820	2.2820	2.2207	2.2207	4.1190	4.1190	1.0890	1.0893
C5	2.6474	2.6474	1.3438	3.4587		3.0221	3.0221	3.1944	3.1944	1.0834	1.0834	4.3970	3.8986
H6	1.0891	3.1051	2.2459	2.2820	3.0221		3.8466	1.7745	3.8379	3.0349	4.0418	2.9943	2.4996
H7	3.1051	1.0891	2.2459	2.2820	3.0221	3.8466		3.8379	1.7745	4.0418	3.0349	2.9943	2.4996
H8	1.0911	2.7944	2.1916	2.2207	3.1944	1.7745	3.8379		3.0106	3.4063	4.1448	2.4923	3.0739
H9	2.7944	1.0911	2.1916	2.2207	3.1944	3.8379	1.7745	3.0106		4.1448	3.4063	2.4923	3.0739
H10	2.9751	3.5949	2.1190	4.1190	1.0834	3.0349	4.0418	3.4063	4.1448		1.8525	5.0446	4.5088
H11	3.5949	2.9751	2.1190	4.1190	1.0834	4.0418	3.0349	4.1448	3.4063	1.8525		5.0446	4.5088
H12	2.2725	2.2725	3.0542	1.0890	4.3970	2.9943	2.9943	2.4923	2.4923	5.0446	5.0446		1.7736
H13	2.2167	2.2167	2.7482	1.0893	3.8986	2.4996	2.4996	3.0739	3.0739	4.5088	4.5088	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.651	C1	C3	C5	133.880
C1	C4	C2	89.263	C1	C4	H12	116.693
C1	C4	H13	112.051	C2	C3	C5	133.880
C2	C4	H12	116.693	C2	C4	H13	112.051
C3	C1	C4	87.811	C3	C1	H6	116.883
C3	C1	H8	112.208	C3	C2	C4	87.811
C3	C2	H7	116.883	C3	C2	H9	112.208
C3	C5	H10	121.250	C3	C5	H11	121.250
C4	C1	H6	117.501	C4	C1	H8	112.257
C4	C2	H7	117.501	C4	C2	H9	112.257
H6	C1	H8	108.954	H7	C2	H9	108.954
H10	C5	H11	117.500	H12	C4	H13	109.018

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

using model chemistry: HF/CEP-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	-0.313
2	C	-0.313
3	C	0.091
4	C	-0.218
5	C	-0.378
6	H	0.141
7	H	0.141
8	H	0.110
9	H	0.110
10	H	0.191
11	H	0.191
12	H	0.141
13	H	0.106

	x	y	z	Total
	0.079	-0.642	0.000	0.647
CHELPG
AIM
ESP

	x	y	z
x	10.176	0.000	-0.410
y	0.000	7.063	0.000
z	-0.410	0.000	5.174

<r²>	98.446
(<r²>)^1/2	9.922

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

using model chemistry: HF/CEP-31G*

States and conformations

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