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	hartrees
Energy at 0K	-195.314525
Energy at 298.15K	-195.322952
Nuclear repulsion energy	167.088275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3030	8.66
2	A'	3127	3015	45.10
3	A'	3091	2980	17.20
4	A'	3071	2961	46.95
5	A'	3044	2935	11.03
6	A'	1744	1682	30.66
7	A'	1505	1451	0.05
8	A'	1476	1424	1.79
9	A'	1442	1391	0.57
10	A'	1263	1217	0.12
11	A'	1220	1176	0.41
12	A'	1095	1056	0.86
13	A'	968	933	0.69
14	A'	900	867	52.65
15	A'	884	852	0.71
16	A'	748	721	1.94
17	A'	665	641	1.83
18	A'	383	370	8.46
19	A'	96	93	0.03
20	A"	3224	3109	14.65
21	A"	3095	2984	18.85
22	A"	3040	2931	51.42
23	A"	1464	1412	4.29
24	A"	1284	1238	0.05
25	A"	1241	1197	0.07
26	A"	1222	1179	0.98
27	A"	1190	1148	2.17
28	A"	1041	1004	0.14
29	A"	925	892	0.92
30	A"	908	875	1.62
31	A"	808	780	0.07
32	A"	638	615	0.08
33	A"	355	342	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.166	-0.424	1.095
C2	0.166	-0.424	-1.095
C3	0.000	0.623	0.000
C4	-0.017	-1.522	0.000
C5	-0.316	1.917	0.000
H6	-0.557	-0.403	1.917
H7	-0.557	-0.403	-1.917
H8	1.175	-0.427	1.524
H9	1.175	-0.427	-1.524
H10	-0.451	2.467	0.928
H11	-0.451	2.467	-0.928
H12	0.705	-2.343	0.000
H13	-1.028	-1.941	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1898	1.5240	1.5613	2.6290	1.0950	3.0977	1.0972	2.8068	2.9614	3.5823	2.2736	2.2187
C2	2.1898		1.5240	1.5613	2.6290	3.0977	1.0950	2.8068	1.0972	3.5823	2.9614	2.2736	2.2187
C3	1.5240	1.5240		2.1451	1.3321	2.2446	2.2446	2.1921	2.1921	2.1135	2.1135	3.0480	2.7620
C4	1.5613	1.5613	2.1451		3.4520	2.2847	2.2847	2.2238	2.2238	4.1190	4.1190	1.0932	1.0937
C5	2.6290	2.6290	1.3321	3.4520		3.0192	3.0192	3.1683	3.1683	1.0872	1.0872	4.3800	3.9229
H6	1.0950	3.0977	2.2446	2.2847	3.0192		3.8344	1.7769	3.8528	3.0379	4.0427	3.0053	2.5025
H7	3.0977	1.0950	2.2446	2.2847	3.0192	3.8344		3.8528	1.7769	4.0427	3.0379	3.0053	2.5025
H8	1.0972	2.8068	2.1921	2.2238	3.1683	1.7769	3.8528		3.0478	3.3729	4.1269	2.4927	3.0772
H9	2.8068	1.0972	2.1921	2.2238	3.1683	3.8528	1.7769	3.0478		4.1269	3.3729	2.4927	3.0772
H10	2.9614	3.5823	2.1135	4.1190	1.0872	3.0379	4.0427	3.3729	4.1269		1.8554	5.0331	4.5416
H11	3.5823	2.9614	2.1135	4.1190	1.0872	4.0427	3.0379	4.1269	3.3729	1.8554		5.0331	4.5416
H12	2.2736	2.2736	3.0480	1.0932	4.3800	3.0053	3.0053	2.4927	2.4927	5.0331	5.0331		1.7790
H13	2.2187	2.2187	2.7620	1.0937	3.9229	2.5025	2.5025	3.0772	3.0772	4.5416	4.5416	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.851	C1	C3	C5	133.887
C1	C4	C2	89.057	C1	C4	H12	116.753
C1	C4	H13	112.173	C2	C3	C5	133.887
C2	C4	H12	116.753	C2	C4	H13	112.173
C3	C1	C4	88.087	C3	C1	H6	117.023
C3	C1	H8	112.482	C3	C2	C4	88.087
C3	C2	H7	117.023	C3	C2	H9	112.482
C3	C5	H10	121.429	C3	C5	H11	121.429
C4	C1	H6	117.583	C4	C1	H8	112.364
C4	C2	H7	117.583	C4	C2	H9	112.364
H6	C1	H8	108.298	H7	C2	H9	108.298
H10	C5	H11	117.141	H12	C4	H13	108.880

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	C	-0.510	-0.011
2	C	-0.510	-0.011
3	C	0.257	0.204
4	C	-0.197	-0.122
5	C	-0.193	-0.703
6	H	0.150	0.026
7	H	0.150	0.026
8	H	0.157	0.027
9	H	0.157	0.027
10	H	0.129	0.228
11	H	0.129	0.228
12	H	0.134	0.037
13	H	0.149	0.046

	x	y	z	Total
	0.107	-0.614	0.000	0.623
CHELPG
AIM
ESP	0.128	-0.584	0.000	0.598

	x	y	z
x	10.969	0.002	-0.260
y	0.002	8.203	0.001
z	-0.260	0.001	6.754

<r²>	117.050
(<r²>)^1/2	10.819

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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