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	hartrees
Energy at 0K	-193.966165
Energy at 298.15K	-193.974932
Nuclear repulsion energy	168.390809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	2974	8.99
2	A'	3261	2953	67.97
3	A'	3232	2927	19.95
4	A'	3206	2903	48.19
5	A'	3185	2884	14.15
6	A'	1906	1726	21.10
7	A'	1626	1473	0.41
8	A'	1596	1445	1.45
9	A'	1559	1412	1.14
10	A'	1388	1256	3.89
11	A'	1326	1201	0.22
12	A'	1196	1083	0.25
13	A'	1034	936	35.50
14	A'	1028	931	6.73
15	A'	952	862	0.33
16	A'	794	719	1.02
17	A'	712	644	1.81
18	A'	418	378	4.57
19	A'	108	97	0.03
20	A"	3362	3044	15.48
21	A"	3236	2930	20.22
22	A"	3182	2881	58.57
23	A"	1587	1437	1.35
24	A"	1406	1273	0.35
25	A"	1359	1231	0.06
26	A"	1325	1200	0.34
27	A"	1296	1174	1.32
28	A"	1127	1021	0.09
29	A"	988	895	0.89
30	A"	978	885	1.42
31	A"	874	792	0.07
32	A"	695	629	0.08
33	A"	380	344	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.165	-0.422	1.089
C2	0.165	-0.422	-1.089
C3	0.000	0.624	0.000
C4	-0.033	-1.510	0.000
C5	-0.301	1.899	0.000
H6	-0.544	-0.399	1.908
H7	-0.544	-0.399	-1.908
H8	1.170	-0.430	1.503
H9	1.170	-0.430	-1.503
H10	-0.431	2.447	0.918
H11	-0.431	2.447	-0.918
H12	0.668	-2.336	0.000
H13	-1.041	-1.908	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1783	1.5190	1.5524	2.6062	1.0839	3.0804	1.0863	2.7796	2.9354	3.5517	2.2589	2.2023
C2	2.1783		1.5190	1.5524	2.6062	3.0804	1.0839	2.7796	1.0863	3.5517	2.9354	2.2589	2.2023
C3	1.5190	1.5190		2.1344	1.3105	2.2324	2.2324	2.1764	2.1764	2.0862	2.0862	3.0344	2.7375
C4	1.5524	1.5524	2.1344		3.4202	2.2668	2.2668	2.2072	2.2072	4.0819	4.0819	1.0829	1.0837
C5	2.6062	2.6062	1.3105	3.4202		2.9972	2.9972	3.1378	3.1378	1.0766	1.0766	4.3448	3.8787
H6	1.0839	3.0804	2.2324	2.2668	2.9972		3.8167	1.7616	3.8174	3.0155	4.0123	2.9771	2.4832
H7	3.0804	1.0839	2.2324	2.2668	2.9972	3.8167		3.8174	1.7616	4.0123	3.0155	2.9771	2.4832
H8	1.0863	2.7796	2.1764	2.2072	3.1378	1.7616	3.8174		3.0050	3.3441	4.0863	2.4787	3.0546
H9	2.7796	1.0863	2.1764	2.2072	3.1378	3.8174	1.7616	3.0050		4.0863	3.3441	2.4787	3.0546
H10	2.9354	3.5517	2.0862	4.0819	1.0766	3.0155	4.0123	3.3441	4.0863		1.8353	4.9929	4.4923
H11	3.5517	2.9354	2.0862	4.0819	1.0766	4.0123	3.0155	4.0863	3.3441	1.8353		4.9929	4.4923
H12	2.2589	2.2589	3.0344	1.0829	4.3448	2.9771	2.9771	2.4787	2.4787	4.9929	4.9929		1.7614
H13	2.2023	2.2023	2.7375	1.0837	3.8787	2.4832	2.4832	3.0546	3.0546	4.4923	4.4923	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.618	C1	C3	C5	134.036
C1	C4	C2	89.108	C1	C4	H12	116.874
C1	C4	H13	112.090	C2	C3	C5	134.036
C2	C4	H12	116.874	C2	C4	H13	112.090
C3	C1	C4	88.035	C3	C1	H6	117.127
C3	C1	H8	112.241	C3	C2	C4	88.035
C3	C2	H7	117.127	C3	C2	H9	112.241
C3	C5	H10	121.532	C3	C5	H11	121.532
C4	C1	H6	117.490	C4	C1	H8	112.332
C4	C2	H7	117.490	C4	C2	H9	112.332
H6	C1	H8	108.532	H7	C2	H9	108.532
H10	C5	H11	116.935	H12	C4	H13	108.776

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

using model chemistry: HF/6-31G(2df,p)

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	-0.298
2	C	-0.298
3	C	0.241
4	C	-0.254
5	C	-0.478
6	H	0.136
7	H	0.136
8	H	0.138
9	H	0.138
10	H	0.138
11	H	0.138
12	H	0.128
13	H	0.134

	x	y	z	Total
	0.086	-0.524	0.000	0.531
CHELPG
AIM
ESP

	x	y	z
x	5.708	-0.835	0.000
y	-0.835	9.648	0.000
z	0.000	0.000	7.201

<r²>	115.076
(<r²>)^1/2	10.727

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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