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	hartrees
Energy at 0K	-32.999292
Energy at 298.15K	-33.007604
Nuclear repulsion energy	89.583012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3027	13.93
2	A'	3134	3027	83.57
3	A'	3092	2986	16.78
4	A'	3072	2967	58.42
5	A'	3047	2942	17.39
6	A'	1750	1690	26.45
7	A'	1501	1449	0.01
8	A'	1469	1418	2.39
9	A'	1425	1376	0.74
10	A'	1260	1217	0.38
11	A'	1206	1164	0.11
12	A'	1022	987	0.24
13	A'	960	927	0.67
14	A'	888	857	66.51
15	A'	880	850	20.02
16	A'	733	707	4.80
17	A'	653	631	2.87
18	A'	341	330	6.37
19	A'	118	114	0.09
20	A"	3205	3095	19.46
21	A"	3103	2996	17.22
22	A"	3045	2940	64.36
23	A"	1461	1411	3.19
24	A"	1283	1239	0.04
25	A"	1239	1196	0.05
26	A"	1215	1174	2.92
27	A"	1181	1141	5.28
28	A"	1033	997	0.14
29	A"	920	888	1.86
30	A"	892	861	0.78
31	A"	791	764	0.55
32	A"	627	605	0.41
33	A"	332	321	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.206	-0.422	1.106
C2	0.206	-0.422	-1.106
C3	0.000	0.630	0.000
C4	0.023	-1.532	0.000
C5	-0.434	1.919	0.000
H6	-0.506	-0.412	1.948
H7	-0.506	-0.412	-1.948
H8	1.235	-0.412	1.512
H9	1.235	-0.412	-1.512
H10	-0.613	2.460	0.937
H11	-0.613	2.460	-0.937
H12	0.753	-2.357	0.000
H13	-0.996	-1.949	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2127	1.5406	1.5777	2.6670	1.1022	3.1359	1.1053	2.8127	3.0012	3.6265	2.2952	2.2365
C2	2.2127		1.5406	1.5777	2.6670	3.1359	1.1022	2.8127	1.1053	3.6265	3.0012	2.2952	2.2365
C3	1.5406	1.5406		2.1620	1.3597	2.2660	2.2660	2.2125	2.2125	2.1453	2.1453	3.0807	2.7647
C4	1.5777	1.5777	2.1620		3.4806	2.3081	2.3081	2.2373	2.2373	4.1495	4.1495	1.1015	1.1018
C5	2.6670	2.6670	1.3597	3.4806		3.0381	3.0381	3.2407	3.2407	1.0965	1.0965	4.4376	3.9081
H6	1.1022	3.1359	2.2660	2.3081	3.0381		3.8954	1.7939	3.8724	3.0469	4.0718	3.0268	2.5292
H7	3.1359	1.1022	2.2660	2.3081	3.0381	3.8954		3.8724	1.7939	4.0718	3.0469	3.0268	2.5292
H8	1.1053	2.8127	2.2125	2.2373	3.2407	1.7939	3.8724		3.0233	3.4632	4.2019	2.5101	3.1022
H9	2.8127	1.1053	2.2125	2.2373	3.2407	3.8724	1.7939	3.0233		4.2019	3.4632	2.5101	3.1022
H10	3.0012	3.6265	2.1453	4.1495	1.0965	3.0469	4.0718	3.4632	4.2019		1.8731	5.0941	4.5239
H11	3.6265	3.0012	2.1453	4.1495	1.0965	4.0718	3.0469	4.2019	3.4632	1.8731		5.0941	4.5239
H12	2.2952	2.2952	3.0807	1.1015	4.4376	3.0268	3.0268	2.5101	2.5101	5.0941	5.0941		1.7961
H13	2.2365	2.2365	2.7647	1.1018	3.9081	2.5292	2.5292	3.1022	3.1022	4.5239	4.5239	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.800	C1	C3	C5	133.624
C1	C4	C2	89.056	C1	C4	H12	116.772
C1	C4	H13	111.936	C2	C3	C5	133.624
C2	C4	H12	116.772	C2	C4	H13	111.936
C3	C1	C4	87.780	C3	C1	H6	117.091
C3	C1	H8	112.446	C3	C2	C4	87.780
C3	C2	H7	117.091	C3	C2	H9	112.446
C3	C5	H10	121.340	C3	C5	H11	121.340
C4	C1	H6	117.832	C4	C1	H8	111.794
C4	C2	H7	117.832	C4	C2	H9	111.794
H6	C1	H8	108.717	H7	C2	H9	108.717
H10	C5	H11	117.319	H12	C4	H13	109.213

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

using model chemistry: B3LYP/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	-0.449
2	C	-0.449
3	C	0.308
4	C	-0.313
5	C	-0.529
6	H	0.189
7	H	0.189
8	H	0.141
9	H	0.141
10	H	0.218
11	H	0.218
12	H	0.189
13	H	0.147

	x	y	z	Total
	0.102	-0.658	0.000	0.666
CHELPG
AIM
ESP

	x	y	z
x	10.502	0.001	-0.420
y	0.001	7.501	-0.001
z	-0.420	-0.001	5.329

<r²>	99.414
(<r²>)^1/2	9.971

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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