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	hartrees
Energy at 0K	-32.969032
Energy at 298.15K	-32.977463
Nuclear repulsion energy	89.534337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3098	3019	84.69
2	A'	3094	3015	14.79
3	A'	3057	2979	28.91
4	A'	3030	2953	62.89
5	A'	3004	2927	10.49
6	A'	1714	1670	26.65
7	A'	1514	1476	0.26
8	A'	1493	1455	1.35
9	A'	1450	1413	1.23
10	A'	1269	1237	0.20
11	A'	1219	1188	0.10
12	A'	1102	1074	0.02
13	A'	956	932	1.26
14	A'	927	904	62.70
15	A'	870	848	0.04
16	A'	747	728	2.20
17	A'	665	648	1.92
18	A'	377	368	7.92
19	A'	76	74	0.01
20	A"	3189	3108	28.68
21	A"	3062	2984	12.40
22	A"	3000	2924	83.67
23	A"	1483	1445	6.28
24	A"	1287	1254	0.00
25	A"	1251	1219	1.08
26	A"	1228	1196	1.64
27	A"	1196	1166	4.22
28	A"	1049	1022	0.08
29	A"	931	907	1.51
30	A"	902	879	2.63
31	A"	817	796	0.03
32	A"	644	627	0.07
33	A"	351	342	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.125	-0.434	1.113
C2	0.125	-0.434	-1.113
C3	0.000	0.632	0.000
C4	-0.006	-1.550	0.000
C5	-0.245	1.957	0.000
H6	-0.650	-0.419	1.890
H7	-0.650	-0.419	-1.890
H8	1.107	-0.432	1.609
H9	1.107	-0.432	-1.609
H10	-0.348	2.518	0.928
H11	-0.348	2.518	-0.928
H12	0.771	-2.323	0.000
H13	-0.989	-2.036	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2269	1.5461	1.5821	2.6631	1.0974	3.1017	1.0994	2.8936	2.9955	3.6205	2.2860	2.2465
C2	2.2269		1.5461	1.5821	2.6631	3.1017	1.0974	2.8936	1.0994	3.6205	2.9955	2.2860	2.2465
C3	1.5461	1.5461		2.1817	1.3477	2.2577	2.2577	2.2233	2.2233	2.1314	2.1314	3.0535	2.8447
C4	1.5821	1.5821	2.1817		3.5152	2.2947	2.2947	2.2531	2.2531	4.1870	4.1870	1.0956	1.0963
C5	2.6631	2.6631	1.3477	3.5152		3.0627	3.0627	3.1811	3.1811	1.0899	1.0899	4.3988	4.0614
H6	1.0974	3.1017	2.2577	2.2947	3.0627		3.7792	1.7796	3.9148	3.1053	4.0817	3.0357	2.5098
H7	3.1017	1.0974	2.2577	2.2947	3.0627	3.7792		3.9148	1.7796	4.0817	3.1053	3.0357	2.5098
H8	1.0994	2.8936	2.2233	2.2531	3.1811	1.7796	3.9148		3.2172	3.3587	4.1540	2.5056	3.0906
H9	2.8936	1.0994	2.2233	2.2531	3.1811	3.9148	1.7796	3.2172		4.1540	3.3587	2.5056	3.0906
H10	2.9955	3.6205	2.1314	4.1870	1.0899	3.1053	4.0817	3.3587	4.1540		1.8570	5.0549	4.6917
H11	3.6205	2.9955	2.1314	4.1870	1.0899	4.0817	3.1053	4.1540	3.3587	1.8570		5.0549	4.6917
H12	2.2860	2.2860	3.0535	1.0956	4.3988	3.0357	3.0357	2.5056	2.5056	5.0549	5.0549		1.7826
H13	2.2465	2.2465	2.8447	1.0963	4.0614	2.5098	2.5098	3.0906	3.0906	4.6917	4.6917	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.135	C1	C3	C5	133.814
C1	C4	C2	89.461	C1	C4	H12	116.043
C1	C4	H13	112.759	C2	C3	C5	133.814
C2	C4	H12	116.043	C2	C4	H13	112.759
C3	C1	C4	88.432	C3	C1	H6	116.279
C3	C1	H8	113.289	C3	C2	C4	88.432
C3	C2	H7	116.279	C3	C2	H9	113.289
C3	C5	H10	121.580	C3	C5	H11	121.580
C4	C1	H6	116.661	C4	C1	H8	113.098
C4	C2	H7	116.661	C4	C2	H9	113.098
H6	C1	H8	108.212	H7	C2	H9	108.212
H10	C5	H11	116.840	H12	C4	H13	108.835

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	-0.410
2	C	-0.410
3	C	0.507
4	C	-0.241
5	C	-0.546
6	H	0.147
7	H	0.147
8	H	0.145
9	H	0.145
10	H	0.128
11	H	0.128
12	H	0.127
13	H	0.132

	x	y	z	Total
	0.064	-0.606	0.000	0.610
CHELPG
AIM
ESP

	x	y	z
x	10.819	-0.001	-0.336
y	-0.001	8.078	0.004
z	-0.336	0.004	6.147

<r²>	100.393
(<r²>)^1/2	10.020

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-)