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	hartrees
Energy at 0K	-195.084896
Energy at 298.15K	-195.093390
HF Energy	-195.084896
Nuclear repulsion energy	167.878555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3025	6.89
2	A'	3158	3016	38.30
3	A'	3126	2985	11.46
4	A'	3096	2956	44.50
5	A'	3070	2931	10.88
6	A'	1771	1691	34.38
7	A'	1503	1435	0.12
8	A'	1473	1406	2.90
9	A'	1440	1375	1.03
10	A'	1266	1209	0.14
11	A'	1226	1171	0.35
12	A'	1096	1046	0.63
13	A'	992	947	0.73
14	A'	905	864	49.96
15	A'	901	860	7.61
16	A'	758	724	2.34
17	A'	666	636	2.36
18	A'	387	370	8.48
19	A'	113	108	0.06
20	A"	3256	3109	11.55
21	A"	3130	2989	19.90
22	A"	3066	2927	42.64
23	A"	1459	1393	5.90
24	A"	1296	1237	0.01
25	A"	1246	1189	0.37
26	A"	1226	1170	1.34
27	A"	1200	1145	2.55
28	A"	1043	996	0.19
29	A"	952	909	1.43
30	A"	918	877	1.07
31	A"	812	776	0.13
32	A"	643	614	0.14
33	A"	357	341	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	-0.377	1.086
C2	0.267	-0.377	-1.086
C3	-0.118	0.607	0.000
C4	0.267	-1.484	0.000
C5	-0.717	1.794	0.000
H6	-0.418	-0.487	1.933
H7	-0.418	-0.487	-1.933
H8	1.274	-0.185	1.476
H9	1.274	-0.185	-1.476
H10	-0.973	2.298	0.928
H11	-0.973	2.298	-0.928
H12	1.107	-2.183	0.000
H13	-0.668	-2.052	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1729	1.5154	1.5509	2.6193	1.0944	3.0983	1.0970	2.7601	2.9524	3.5709	2.2688	2.2042
C2	2.1729		1.5154	1.5509	2.6193	3.0983	1.0944	2.7601	1.0970	3.5709	2.9524	2.2688	2.2042
C3	1.5154	1.5154		2.1258	1.3296	2.2413	2.2413	2.1780	2.1780	2.1100	2.1100	3.0468	2.7149
C4	1.5509	1.5509	2.1258		3.4221	2.2805	2.2805	2.2091	2.2091	4.0865	4.0865	1.0930	1.0935
C5	2.6193	2.6193	1.3296	3.4221		3.0047	3.0047	3.1715	3.1715	1.0869	1.0869	4.3751	3.8461
H6	1.0944	3.0983	2.2413	2.2805	3.0047		3.8666	1.7783	3.8180	3.0119	4.0312	2.9899	2.5000
H7	3.0983	1.0944	2.2413	2.2805	3.0047	3.8666		3.8180	1.7783	4.0312	3.0119	2.9899	2.5000
H8	1.0970	2.7601	2.1780	2.2091	3.1715	1.7783	3.8180		2.9522	3.3932	4.1225	2.4896	3.0714
H9	2.7601	1.0970	2.1780	2.2091	3.1715	3.8180	1.7783	2.9522		4.1225	3.3932	2.4896	3.0714
H10	2.9524	3.5709	2.1100	4.0865	1.0869	3.0119	4.0312	3.3932	4.1225		1.8567	5.0264	4.4582
H11	3.5709	2.9524	2.1100	4.0865	1.0869	4.0312	3.0119	4.1225	3.3932	1.8567		5.0264	4.4582
H12	2.2688	2.2688	3.0468	1.0930	4.3751	2.9899	2.9899	2.4896	2.4896	5.0264	5.0264		1.7794
H13	2.2042	2.2042	2.7149	1.0935	3.8461	2.5000	2.5000	3.0714	3.0714	4.4582	4.4582	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.607	C1	C3	C5	133.948
C1	C4	C2	88.938	C1	C4	H12	117.159
C1	C4	H13	111.758	C2	C3	C5	133.948
C2	C4	H12	117.159	C2	C4	H13	111.758
C3	C1	C4	87.771	C3	C1	H6	117.455
C3	C1	H8	111.970	C3	C2	C4	87.771
C3	C2	H7	117.455	C3	C2	H9	111.970
C3	C5	H10	121.338	C3	C5	H11	121.338
C4	C1	H6	118.072	C4	C1	H8	111.941
C4	C2	H7	118.072	C4	C2	H9	111.941
H6	C1	H8	108.484	H7	C2	H9	108.484
H10	C5	H11	117.323	H12	C4	H13	108.942

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

using model chemistry: HSEh1PBE/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
1	C	-0.535
2	C	-0.535
3	C	0.208
4	C	-0.242
5	C	-0.228
6	H	0.171
7	H	0.171
8	H	0.181
9	H	0.181
10	H	0.150
11	H	0.150
12	H	0.156
13	H	0.173

	x	y	z	Total
	0.241	-0.588	0.000	0.636
CHELPG
AIM
ESP

	x	y	z
x	7.403	-1.538	0.000
y	-1.538	10.178	0.000
z	0.000	0.000	8.079

<r²>	115.731
(<r²>)^1/2	10.758

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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