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	hartrees
Energy at 0K	-32.953693
Energy at 298.15K	-32.962055
Nuclear repulsion energy	89.142001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3046	119.47
2	A'	3137	3038	13.13
3	A'	3099	3001	24.72
4	A'	3074	2977	63.98
5	A'	3048	2952	15.11
6	A'	1741	1686	27.01
7	A'	1507	1459	0.45
8	A'	1482	1435	2.63
9	A'	1442	1396	1.83
10	A'	1273	1233	0.59
11	A'	1211	1172	0.09
12	A'	1048	1015	0.93
13	A'	961	931	1.33
14	A'	933	904	100.81
15	A'	878	850	0.33
16	A'	744	720	7.40
17	A'	663	642	2.69
18	A'	352	341	8.80
19	A'	98	95	0.04
20	A"	3221	3119	30.17
21	A"	3109	3011	14.04
22	A"	3045	2949	79.50
23	A"	1472	1426	7.90
24	A"	1297	1256	0.81
25	A"	1255	1215	1.91
26	A"	1226	1188	3.14
27	A"	1194	1157	7.48
28	A"	1043	1010	0.06
29	A"	933	903	2.35
30	A"	897	869	1.43
31	A"	809	783	0.50
32	A"	637	617	0.33
33	A"	338	328	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	-0.432	1.116
C2	0.161	-0.432	-1.116
C3	0.000	0.633	0.000
C4	0.017	-1.551	0.000
C5	-0.337	1.955	0.000
H6	-0.595	-0.423	1.918
H7	-0.595	-0.423	-1.918
H8	1.163	-0.423	1.580
H9	1.163	-0.423	-1.580
H10	-0.474	2.509	0.935
H11	-0.474	2.509	-0.935
H12	0.783	-2.341	0.000
H13	-0.981	-2.019	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2315	1.5506	1.5870	2.6813	1.1019	3.1264	1.1051	2.8765	3.0139	3.6412	2.2974	2.2512
C2	2.2315		1.5506	1.5870	2.6813	3.1264	1.1019	2.8765	1.1051	3.6412	3.0139	2.2974	2.2512
C3	1.5506	1.5506		2.1842	1.3643	2.2686	2.2686	2.2283	2.2283	2.1493	2.1493	3.0755	2.8276
C4	1.5870	1.5870	2.1842		3.5240	2.3078	2.3078	2.2551	2.2551	4.1954	4.1954	1.1008	1.1020
C5	2.6813	2.6813	1.3643	3.5240		3.0658	3.0658	3.2251	3.2251	1.0957	1.0957	4.4398	4.0260
H6	1.1019	3.1264	2.2686	2.3078	3.0658		3.8360	1.7901	3.9152	3.0943	4.0928	3.0427	2.5252
H7	3.1264	1.1019	2.2686	2.3078	3.0658	3.8360		3.9152	1.7901	4.0928	3.0943	3.0427	2.5252
H8	1.1051	2.8765	2.2283	2.2551	3.2251	1.7901	3.9152		3.1606	3.4195	4.1959	2.5144	3.1055
H9	2.8765	1.1051	2.2283	2.2551	3.2251	3.9152	1.7901	3.1606		4.1959	3.4195	2.5144	3.1055
H10	3.0139	3.6412	2.1493	4.1954	1.0957	3.0943	4.0928	3.4195	4.1959		1.8707	5.0971	4.6513
H11	3.6412	3.0139	2.1493	4.1954	1.0957	4.0928	3.0943	4.1959	3.4195	1.8707		5.0971	4.6513
H12	2.2974	2.2974	3.0755	1.1008	4.4398	3.0427	3.0427	2.5144	2.5144	5.0971	5.0971		1.7936
H13	2.2512	2.2512	2.8276	1.1020	4.0260	2.5252	2.5252	3.1055	3.1055	4.6513	4.6513	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.035	C1	C3	C5	133.710
C1	C4	C2	89.342	C1	C4	H12	116.295
C1	C4	H13	112.429	C2	C3	C5	133.710
C2	C4	H12	116.295	C2	C4	H13	112.429
C3	C1	C4	88.227	C3	C1	H6	116.565
C3	C1	H8	113.011	C3	C2	C4	88.227
C3	C2	H7	116.565	C3	C2	H9	113.011
C3	C5	H10	121.391	C3	C5	H11	121.391
C4	C1	H6	117.100	C4	C1	H8	112.557
C4	C2	H7	117.100	C4	C2	H9	112.557
H6	C1	H8	108.404	H7	C2	H9	108.404
H10	C5	H11	117.217	H12	C4	H13	109.024

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	-0.372
2	C	-0.372
3	C	0.201
4	C	-0.305
5	C	-0.501
6	H	0.176
7	H	0.176
8	H	0.142
9	H	0.142
10	H	0.200
11	H	0.200
12	H	0.174
13	H	0.140

	x	y	z	Total
	0.074	-0.658	0.000	0.662
CHELPG
AIM
ESP

	x	y	z
x	10.361	0.002	-0.346
y	0.002	7.383	-0.001
z	-0.346	-0.001	5.096

<r²>	100.635
(<r²>)^1/2	10.032

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-)