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	hartrees
Energy at 0K	-195.302576
Energy at 298.15K	-195.310999
Nuclear repulsion energy	166.872885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3036	6.77
2	A'	3120	3026	43.49
3	A'	3083	2991	18.09
4	A'	3062	2970	42.10
5	A'	3033	2942	10.43
6	A'	1758	1705	22.20
7	A'	1473	1428	0.00
8	A'	1442	1399	1.37
9	A'	1420	1377	1.18
10	A'	1251	1214	1.18
11	A'	1209	1173	0.16
12	A'	1084	1052	0.34
13	A'	974	945	0.41
14	A'	900	873	31.90
15	A'	884	858	0.97
16	A'	743	721	2.21
17	A'	666	646	1.44
18	A'	382	370	5.25
19	A'	94	91	0.03
20	A"	3220	3123	12.35
21	A"	3087	2994	14.54
22	A"	3029	2938	46.64
23	A"	1430	1387	3.65
24	A"	1278	1239	0.82
25	A"	1231	1194	0.07
26	A"	1210	1174	0.66
27	A"	1183	1147	1.13
28	A"	1031	1000	0.10
29	A"	930	902	0.60
30	A"	906	879	1.15
31	A"	803	779	0.06
32	A"	631	613	0.07
33	A"	355	344	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.165	-0.424	1.095
C2	0.165	-0.424	-1.095
C3	0.000	0.623	0.000
C4	-0.013	-1.522	0.000
C5	-0.320	1.916	0.000
H6	-0.562	-0.404	1.922
H7	-0.562	-0.404	-1.922
H8	1.180	-0.424	1.528
H9	1.180	-0.424	-1.528
H10	-0.457	2.468	0.934
H11	-0.457	2.468	-0.934
H12	0.717	-2.344	0.000
H13	-1.027	-1.947	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1901	1.5247	1.5606	2.6293	1.1014	3.1032	1.1035	2.8122	2.9630	3.5877	2.2781	2.2226
C2	2.1901		1.5247	1.5606	2.6293	3.1032	1.1014	2.8122	1.1035	3.5877	2.9630	2.2781	2.2226
C3	1.5247	1.5247		2.1456	1.3317	2.2504	2.2504	2.1964	2.1964	2.1175	2.1175	3.0532	2.7684
C4	1.5606	1.5606	2.1456		3.4520	2.2902	2.2902	2.2276	2.2276	4.1220	4.1220	1.0995	1.1001
C5	2.6293	2.6293	1.3317	3.4520		3.0223	3.0223	3.1720	3.1720	1.0937	1.0937	4.3849	3.9277
H6	1.1014	3.1032	2.2504	2.2902	3.0223		3.8433	1.7870	3.8645	3.0386	4.0515	3.0158	2.5082
H7	3.1032	1.1014	2.2504	2.2902	3.0223	3.8433		3.8645	1.7870	4.0515	3.0386	3.0158	2.5082
H8	1.1035	2.8122	2.1964	2.2276	3.1720	1.7870	3.8645		3.0550	3.3761	4.1360	2.4969	3.0866
H9	2.8122	1.1035	2.1964	2.2276	3.1720	3.8645	1.7870	3.0550		4.1360	3.3761	2.4969	3.0866
H10	2.9630	3.5877	2.1175	4.1220	1.0937	3.0386	4.0515	3.3761	4.1360		1.8686	5.0408	4.5488
H11	3.5877	2.9630	2.1175	4.1220	1.0937	4.0515	3.0386	4.1360	3.3761	1.8686		5.0408	4.5488
H12	2.2781	2.2781	3.0532	1.0995	4.3849	3.0158	3.0158	2.4969	2.4969	5.0408	5.0408		1.7891
H13	2.2226	2.2226	2.7684	1.1001	3.9277	2.5082	2.5082	3.0866	3.0866	4.5488	4.5488	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.817	C1	C3	C5	133.886
C1	C4	C2	89.123	C1	C4	H12	116.760
C1	C4	H13	112.146	C2	C3	C5	133.886
C2	C4	H12	116.760	C2	C4	H13	112.146
C3	C1	C4	88.114	C3	C1	H6	117.037
C3	C1	H8	112.394	C3	C2	C4	88.114
C3	C2	H7	117.037	C3	C2	H9	112.394
C3	C5	H10	121.322	C3	C5	H11	121.322
C4	C1	H6	117.675	C4	C1	H8	112.337
C4	C2	H7	117.675	C4	C2	H9	112.337
H6	C1	H8	108.280	H7	C2	H9	108.280
H10	C5	H11	117.357	H12	C4	H13	108.863

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

using model chemistry: B3LYP/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	0.045
2	C	0.045
3	C	-0.173
4	C	-0.016
5	C	-0.002
6	H	0.017
7	H	0.017
8	H	0.023
9	H	0.023
10	H	0.002
11	H	0.002
12	H	0.001
13	H	0.015

	x	y	z	Total
	0.097	-0.532	0.000	0.541
CHELPG
AIM
ESP

	x	y	z
x	10.359	-0.002	-0.434
y	-0.002	7.818	0.000
z	-0.434	0.000	5.801

<r²>	116.967
(<r²>)^1/2	10.815

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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