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	hartrees
Energy at 0K	-195.133707
Energy at 298.15K	-195.141974
Nuclear repulsion energy	164.993764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3073	3050	12.51
2	A'	3063	3040	55.50
3	A'	3015	2992	36.34
4	A'	3007	2984	43.56
5	A'	2976	2953	3.99
6	A'	1700	1687	15.90
7	A'	1500	1489	0.05
8	A'	1479	1468	0.26
9	A'	1447	1436	0.36
10	A'	1246	1236	0.60
11	A'	1205	1196	0.07
12	A'	1084	1076	0.13
13	A'	932	925	0.70
14	A'	898	891	44.07
15	A'	840	834	0.13
16	A'	745	739	2.41
17	A'	655	650	0.63
18	A'	376	373	5.16
19	A'	47	47	0.02
20	A"	3151	3127	23.41
21	A"	3018	2995	4.83
22	A"	2971	2948	64.68
23	A"	1469	1458	2.67
24	A"	1264	1254	0.02
25	A"	1231	1222	1.56
26	A"	1210	1201	0.39
27	A"	1172	1163	3.96
28	A"	1036	1028	0.02
29	A"	901	894	0.23
30	A"	879	873	2.41
31	A"	808	802	0.02
32	A"	631	626	0.02
33	A"	354	351	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	-0.436	1.115
C2	0.071	-0.436	-1.115
C3	0.000	0.631	0.000
C4	-0.008	-1.556	0.000
C5	-0.135	1.967	0.000
H6	-0.755	-0.423	1.846
H7	-0.755	-0.423	-1.846
H8	1.021	-0.434	1.678
H9	1.021	-0.434	-1.678
H10	-0.193	2.541	0.930
H11	-0.193	2.541	-0.930
H12	0.820	-2.282	0.000
H13	-0.961	-2.108	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2299	1.5446	1.5827	2.6564	1.1035	3.0741	1.1048	2.9505	2.9944	3.6212	2.2827	2.2593
C2	2.2299		1.5446	1.5827	2.6564	3.0741	1.1035	2.9505	1.1048	3.6212	2.9944	2.2827	2.2593
C3	1.5446	1.5446		2.1872	1.3424	2.2560	2.2560	2.2350	2.2350	2.1333	2.1333	3.0257	2.9026
C4	1.5827	1.5827	2.1872		3.5251	2.2912	2.2912	2.2662	2.2662	4.2057	4.2057	1.1005	1.1010
C5	2.6564	2.6564	1.3424	3.5251		3.0829	3.0829	3.1493	3.1493	1.0946	1.0946	4.3542	4.1574
H6	1.1035	3.0741	2.2560	2.2912	3.0829		3.6919	1.7847	3.9469	3.1534	4.0999	3.0564	2.5075
H7	3.0741	1.1035	2.2560	2.2912	3.0829	3.6919		3.9469	1.7847	4.0999	3.1534	3.0564	2.5075
H8	1.1048	2.9505	2.2350	2.2662	3.1493	1.7847	3.9469		3.3568	3.3000	4.1391	2.5041	3.0900
H9	2.9505	1.1048	2.2350	2.2662	3.1493	3.9469	1.7847	3.3568		4.1391	3.3000	2.5041	3.0900
H10	2.9944	3.6212	2.1333	4.2057	1.0946	3.1534	4.0999	3.3000	4.1391		1.8596	5.0151	4.8030
H11	3.6212	2.9944	2.1333	4.2057	1.0946	4.0999	3.1534	4.1391	3.3000	1.8596		5.0151	4.8030
H12	2.2827	2.2827	3.0257	1.1005	4.3542	3.0564	3.0564	2.5041	2.5041	5.0151	5.0151		1.7889
H13	2.2593	2.2593	2.9026	1.1010	4.1574	2.5075	2.5075	3.0900	3.0900	4.8030	4.8030	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.408	C1	C3	C5	133.764
C1	C4	C2	89.570	C1	C4	H12	115.406
C1	C4	H13	113.458	C2	C3	C5	133.764
C2	C4	H12	115.406	C2	C4	H13	113.458
C3	C1	C4	88.746	C3	C1	H6	115.842
C3	C1	H8	114.009	C3	C2	C4	88.746
C3	C2	H7	115.842	C3	C2	H9	114.009
C3	C5	H10	121.850	C3	C5	H11	121.850
C4	C1	H6	115.920	C4	C1	H8	113.784
C4	C2	H7	115.920	C4	C2	H9	113.784
H6	C1	H8	107.842	H7	C2	H9	107.842
H10	C5	H11	116.301	H12	C4	H13	108.694

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	-0.241
2	C	-0.241
3	C	0.119
4	C	-0.246
5	C	-0.332
6	H	0.126
7	H	0.126
8	H	0.128
9	H	0.128
10	H	0.100
11	H	0.100
12	H	0.112
13	H	0.118

	x	y	z	Total
	0.036	-0.517	0.000	0.518
CHELPG
AIM
ESP

<r²>	119.554
(<r²>)^1/2	10.934

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-)