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	hartrees
Energy at 0K	-195.221873
Energy at 298.15K	-195.230135
Nuclear repulsion energy	165.998231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3042	3034	15.08
2	A'	3035	3027	61.75
3	A'	2993	2986	37.90
4	A'	2984	2977	43.07
5	A'	2955	2948	11.33
6	A'	1680	1676	21.90
7	A'	1476	1472	0.11
8	A'	1451	1447	1.12
9	A'	1409	1406	0.66
10	A'	1225	1222	0.13
11	A'	1194	1191	0.10
12	A'	1066	1063	0.29
13	A'	934	932	0.74
14	A'	853	851	38.31
15	A'	848	846	4.66
16	A'	728	726	1.56
17	A'	650	649	1.16
18	A'	368	367	6.60
19	A'	77	76	0.02
20	A"	3115	3107	22.20
21	A"	2996	2988	16.90
22	A"	2951	2944	67.33
23	A"	1439	1435	4.09
24	A"	1241	1238	0.01
25	A"	1210	1207	0.05
26	A"	1192	1189	1.16
27	A"	1154	1151	2.51
28	A"	1025	1022	0.08
29	A"	892	890	0.54
30	A"	876	874	1.90
31	A"	793	791	0.03
32	A"	621	619	0.03
33	A"	347	346	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.134	-0.429	1.104
C2	0.134	-0.429	-1.104
C3	0.000	0.629	0.000
C4	-0.010	-1.539	0.000
C5	-0.259	1.938	0.000
H6	-0.627	-0.412	1.898
H7	-0.627	-0.412	-1.898
H8	1.126	-0.430	1.585
H9	1.126	-0.430	-1.585
H10	-0.371	2.501	0.930
H11	-0.371	2.501	-0.930
H12	0.753	-2.328	0.000
H13	-1.002	-2.010	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2089	1.5350	1.5726	2.6415	1.1002	3.0980	1.1021	2.8662	2.9788	3.6031	2.2824	2.2389
C2	2.2089		1.5350	1.5726	2.6415	3.0980	1.1002	2.8662	1.1021	3.6031	2.9788	2.2824	2.2389
C3	1.5350	1.5350		2.1677	1.3350	2.2539	2.2539	2.2133	2.2133	2.1239	2.1239	3.0510	2.8230
C4	1.5726	1.5726	2.1677		3.4861	2.2925	2.2925	2.2436	2.2436	4.1619	4.1619	1.0980	1.0982
C5	2.6415	2.6415	1.3350	3.4861		3.0434	3.0434	3.1680	3.1680	1.0932	1.0932	4.3846	4.0180
H6	1.1002	3.0980	2.2539	2.2925	3.0434		3.7969	1.7815	3.8995	3.0807	4.0687	3.0301	2.5101
H7	3.0980	1.1002	2.2539	2.2925	3.0434	3.7969		3.8995	1.7815	4.0687	3.0807	3.0301	2.5101
H8	1.1021	2.8662	2.2133	2.2436	3.1680	1.7815	3.8995		3.1691	3.3559	4.1421	2.5007	3.0888
H9	2.8662	1.1021	2.2133	2.2436	3.1680	3.8995	1.7815	3.1691		4.1421	3.3559	2.5007	3.0888
H10	2.9788	3.6031	2.1239	4.1619	1.0932	3.0807	4.0687	3.3559	4.1421		1.8603	5.0451	4.6499
H11	3.6031	2.9788	2.1239	4.1619	1.0932	4.0687	3.0807	4.1421	3.3559	1.8603		5.0451	4.6499
H12	2.2824	2.2824	3.0510	1.0980	4.3846	3.0301	3.0301	2.5007	2.5007	5.0451	5.0451		1.7841
H13	2.2389	2.2389	2.8230	1.0982	4.0180	2.5101	2.5101	3.0888	3.0888	4.6499	4.6499	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.030	C1	C3	C5	133.853
C1	C4	C2	89.223	C1	C4	H12	116.308
C1	C4	H13	112.710	C2	C3	C5	133.853
C2	C4	H12	116.308	C2	C4	H13	112.710
C3	C1	C4	88.452	C3	C1	H6	116.619
C3	C1	H8	113.111	C3	C2	C4	88.452
C3	C2	H7	116.619	C3	C2	H9	113.111
C3	C5	H10	121.698	C3	C5	H11	121.698
C4	C1	H6	117.011	C4	C1	H8	112.849
C4	C2	H7	117.011	C4	C2	H9	112.849
H6	C1	H8	107.974	H7	C2	H9	107.974
H10	C5	H11	116.605	H12	C4	H13	108.656

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

using model chemistry: BLYP/6-311G*

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	-0.433
2	C	-0.433
3	C	0.145
4	C	-0.389
5	C	-0.458
6	H	0.201
7	H	0.201
8	H	0.204
9	H	0.204
10	H	0.183
11	H	0.183
12	H	0.194
13	H	0.200

	x	y	z	Total
	0.060	-0.508	0.000	0.512
CHELPG
AIM
ESP

<r²>	118.518
(<r²>)^1/2	10.887

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

using model chemistry: BLYP/6-311G*

States and conformations

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