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	hartrees
Energy at 0K	-192.946139
Energy at 298.15K	-192.954379
Nuclear repulsion energy	165.146397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3481	3106	1.93
2	A'	3444	3073	1.42
3	A'	3390	3025	13.13
4	A'	3360	2998	2.23
5	A'	3332	2974	0.00
6	A'	1892	1688	0.88
7	A'	1661	1482	0.12
8	A'	1639	1462	0.17
9	A'	1570	1401	0.24
10	A'	1394	1244	4.56
11	A'	1314	1173	0.04
12	A'	1170	1044	0.31
13	A'	1055	941	0.05
14	A'	971	866	21.84
15	A'	935	834	0.09
16	A'	799	713	2.57
17	A'	717	640	0.23
18	A'	387	346	2.46
19	A'	73	65	0.02
20	A"	3536	3155	0.00
21	A"	3444	3073	0.00
22	A"	3330	2971	0.83
23	A"	1631	1456	0.97
24	A"	1415	1263	1.36
25	A"	1348	1203	0.01
26	A"	1324	1182	0.00
27	A"	1311	1170	4.50
28	A"	1136	1014	0.00
29	A"	1046	934	0.17
30	A"	982	876	0.00
31	A"	888	792	0.00
32	A"	695	620	0.00
33	A"	363	324	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-0.439	1.117
C2	0.001	-0.439	-1.117
C3	-0.000	0.634	0.000
C4	0.001	-1.553	0.000
C5	-0.002	1.968	0.000
H6	-0.896	-0.433	1.761
H7	-0.896	-0.433	-1.761
H8	0.898	-0.432	1.760
H9	0.898	-0.432	-1.760
H10	-0.003	2.546	0.932
H11	-0.003	2.546	-0.932
H12	0.898	-2.192	0.000
H13	-0.897	-2.192	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2331	1.5488	1.5774	2.6536	1.1043	3.0138	1.1043	3.0130	2.9911	3.6205	2.2636	2.2635
C2	2.2331		1.5488	1.5774	2.6536	3.0138	1.1043	3.0130	1.1043	3.6205	2.9911	2.2636	2.2635
C3	1.5488	1.5488		2.1877	1.3338	2.2454	2.2454	2.2453	2.2453	2.1269	2.1269	2.9655	2.9647
C4	1.5774	1.5774	2.1877		3.5215	2.2716	2.2716	2.2714	2.2714	4.2042	4.2042	1.1014	1.1014
C5	2.6536	2.6536	1.3338	3.5215		3.1088	3.1088	3.1094	3.1094	1.0965	1.0965	4.2562	4.2548
H6	1.1043	3.0138	2.2454	2.2716	3.1088		3.5215	1.7944	3.9514	3.2188	4.1138	3.0682	2.4886
H7	3.0138	1.1043	2.2454	2.2716	3.1088	3.5215		3.9514	1.7944	4.1138	3.2188	3.0682	2.4886
H8	1.1043	3.0130	2.2453	2.2714	3.1094	1.7944	3.9514		3.5193	3.2200	4.1142	2.4885	3.0684
H9	3.0130	1.1043	2.2453	2.2714	3.1094	3.9514	1.7944	3.5193		4.1142	3.2200	2.4885	3.0684
H10	2.9911	3.6205	2.1269	4.2042	1.0965	3.2188	4.1138	3.2200	4.1142		1.8635	4.9121	4.9106
H11	3.6205	2.9911	2.1269	4.2042	1.0965	4.1138	3.2188	4.1142	3.2200	1.8635		4.9121	4.9106
H12	2.2636	2.2636	2.9655	1.1014	4.2562	3.0682	3.0682	2.4885	2.4885	4.9121	4.9121		1.7953
H13	2.2635	2.2635	2.9647	1.1014	4.2548	2.4886	2.4886	3.0684	3.0684	4.9106	4.9106	1.7953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.256	C1	C3	C5	133.872
C1	C4	C2	90.117	C1	C4	H12	114.168
C1	C4	H13	114.159	C2	C3	C5	133.872
C2	C4	H12	114.168	C2	C4	H13	114.159
C3	C1	C4	88.813	C3	C1	H6	114.592
C3	C1	H8	114.584	C3	C2	C4	88.813
C3	C2	H7	114.592	C3	C2	H9	114.584
C3	C5	H10	121.818	C3	C5	H11	121.818
C4	C1	H6	114.641	C4	C1	H8	114.628
C4	C2	H7	114.641	C4	C2	H9	114.628
H6	C1	H8	108.683	H7	C2	H9	108.683
H10	C5	H11	116.364	H12	C4	H13	109.171

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

using model chemistry: B3LYP/STO-3G

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	-0.145
2	C	-0.145
3	C	0.008
4	C	-0.134
5	C	-0.181
6	H	0.076
7	H	0.076
8	H	0.076
9	H	0.076
10	H	0.074
11	H	0.074
12	H	0.071
13	H	0.071

	x	y	z
x	2.645	-0.004	0.000
y	-0.004	5.804	0.000
z	0.000	0.000	4.016

<r²>	117.977
(<r²>)^1/2	10.862

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

using model chemistry: B3LYP/STO-3G

States and conformations

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