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	hartrees
Energy at 0K	-195.175547
Energy at 298.15K	-195.183840
HF Energy	-195.175547
Nuclear repulsion energy	165.921224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3069	3044	12.08
2	A'	3049	3024	51.02
3	A'	3008	2984	32.67
4	A'	2998	2973	39.50
5	A'	2965	2941	15.68
6	A'	1699	1685	15.25
7	A'	1489	1477	0.25
8	A'	1466	1454	0.89
9	A'	1428	1417	0.23
10	A'	1238	1228	1.63
11	A'	1198	1188	0.13
12	A'	1073	1065	0.12
13	A'	939	932	0.24
14	A'	864	857	24.76
15	A'	859	852	10.79
16	A'	731	725	2.00
17	A'	648	643	1.08
18	A'	372	369	3.87
19	A'	97	96	0.02
20	A"	3140	3115	18.63
21	A"	3010	2986	21.25
22	A"	2960	2936	53.17
23	A"	1453	1441	0.84
24	A"	1254	1243	0.38
25	A"	1218	1208	0.01
26	A"	1196	1187	0.89
27	A"	1159	1150	1.70
28	A"	1024	1015	0.11
29	A"	895	888	0.44
30	A"	886	879	1.24
31	A"	794	787	0.08
32	A"	627	622	0.09
33	A"	345	342	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.223	-0.399	1.103
C2	0.223	-0.399	-1.103
C3	-0.100	0.621	0.000
C4	0.223	-1.519	0.000
C5	-0.598	1.865	0.000
H6	-0.506	-0.497	1.925
H7	-0.506	-0.497	-1.925
H8	1.222	-0.245	1.548
H9	1.222	-0.245	-1.548
H10	-0.815	2.399	0.931
H11	-0.815	2.399	-0.931
H12	1.076	-2.215	0.000
H13	-0.709	-2.105	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2058	1.5367	1.5716	2.6491	1.1027	3.1156	1.1045	2.8371	2.9897	3.6120	2.2893	2.2345
C2	2.2058		1.5367	1.5716	2.6491	3.1156	1.1027	2.8371	1.1045	3.6120	2.9897	2.2893	2.2345
C3	1.5367	1.5367		2.1640	1.3402	2.2622	2.2622	2.2122	2.2122	2.1309	2.1309	3.0701	2.7927
C4	1.5716	1.5716	2.1640		3.4820	2.2980	2.2980	2.2398	2.2398	4.1588	4.1588	1.1008	1.1008
C5	2.6491	2.6491	1.3402	3.4820		3.0478	3.0478	3.1879	3.1879	1.0952	1.0952	4.4102	3.9710
H6	1.1027	3.1156	2.2622	2.2980	3.0478		3.8493	1.7862	3.8869	3.0769	4.0788	3.0264	2.5162
H7	3.1156	1.1027	2.2622	2.2980	3.0478	3.8493		3.8869	1.7862	4.0788	3.0769	3.0264	2.5162
H8	1.1045	2.8371	2.2122	2.2398	3.1879	1.7862	3.8869		3.0960	3.3944	4.1579	2.5098	3.0956
H9	2.8371	1.1045	2.2122	2.2398	3.1879	3.8869	1.7862	3.0960		4.1579	3.3944	2.5098	3.0956
H10	2.9897	3.6120	2.1309	4.1588	1.0952	3.0769	4.0788	3.3944	4.1579		1.8625	5.0728	4.6001
H11	3.6120	2.9897	2.1309	4.1588	1.0952	4.0788	3.0769	4.1579	3.3944	1.8625		5.0728	4.6001
H12	2.2893	2.2893	3.0701	1.1008	4.4102	3.0264	3.0264	2.5098	2.5098	5.0728	5.0728		1.7880
H13	2.2345	2.2345	2.7927	1.1008	3.9710	2.5162	2.5162	3.0956	3.0956	4.6001	4.6001	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.732	C1	C3	C5	133.979
C1	C4	C2	89.141	C1	C4	H12	116.784
C1	C4	H13	112.275	C2	C3	C5	133.979
C2	C4	H12	116.784	C2	C4	H13	112.275
C3	C1	C4	88.238	C3	C1	H6	117.031
C3	C1	H8	112.747	C3	C2	C4	88.238
C3	C2	H7	117.031	C3	C2	H9	112.747
C3	C5	H10	121.757	C3	C5	H11	121.757
C4	C1	H6	117.397	C4	C1	H8	112.474
C4	C2	H7	117.397	C4	C2	H9	112.474
H6	C1	H8	108.050	H7	C2	H9	108.050
H10	C5	H11	116.486	H12	C4	H13	108.615

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

using model chemistry: BLYP/6-31G*

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	-0.298
2	C	-0.298
3	C	0.248
4	C	-0.248
5	C	-0.407
6	H	0.131
7	H	0.131
8	H	0.133
9	H	0.133
10	H	0.115
11	H	0.115
12	H	0.118
13	H	0.129

	x	y	z	Total
	0.166	-0.500	0.000	0.527
CHELPG
AIM
ESP

	x	y	z
x	6.085	-1.598	0.000
y	-1.598	9.349	0.000
z	0.000	0.000	7.544

<r²>	117.944
(<r²>)^1/2	10.860

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

using model chemistry: BLYP/6-31G*

States and conformations

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