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	hartrees
Energy at 0K	-195.134059
Energy at 298.15K	-195.142571
HF Energy	-195.134059
Nuclear repulsion energy	168.390151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3025	5.92
2	A'	3141	3018	37.83
3	A'	3109	2988	12.06
4	A'	3083	2963	39.94
5	A'	3057	2938	10.01
6	A'	1767	1698	31.23
7	A'	1494	1436	0.13
8	A'	1466	1409	2.52
9	A'	1436	1380	1.55
10	A'	1259	1210	0.03
11	A'	1224	1177	0.26
12	A'	1094	1051	0.45
13	A'	989	951	0.61
14	A'	913	877	44.33
15	A'	898	863	0.64
16	A'	753	723	2.10
17	A'	667	641	2.05
18	A'	388	373	6.78
19	A'	111	106	0.07
20	A"	3231	3105	9.96
21	A"	3113	2992	18.74
22	A"	3053	2934	39.32
23	A"	1451	1395	6.37
24	A"	1290	1240	0.05
25	A"	1242	1193	0.16
26	A"	1224	1176	0.92
27	A"	1194	1148	2.01
28	A"	1041	1001	0.14
29	A"	944	907	1.01
30	A"	917	881	1.28
31	A"	810	778	0.08
32	A"	642	617	0.08
33	A"	359	345	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.261	-0.377	1.084
C2	0.261	-0.377	-1.084
C3	-0.115	0.607	0.000
C4	0.261	-1.482	0.000
C5	-0.701	1.791	0.000
H6	-0.425	-0.484	1.925
H7	-0.425	-0.484	-1.925
H8	1.264	-0.190	1.477
H9	1.264	-0.190	-1.477
H10	-0.953	2.296	0.926
H11	-0.953	2.296	-0.926
H12	1.099	-2.177	0.000
H13	-0.669	-2.050	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1685	1.5117	1.5483	2.6079	1.0905	3.0887	1.0934	2.7569	2.9397	3.5575	2.2627	2.2000
C2	2.1685		1.5117	1.5483	2.6079	3.0887	1.0905	2.7569	1.0934	3.5575	2.9397	2.2627	2.2000
C3	1.5117	1.5117		2.1227	1.3211	2.2345	2.2345	2.1722	2.1722	2.1001	2.1001	3.0376	2.7141
C4	1.5483	1.5483	2.1227		3.4116	2.2747	2.2747	2.2039	2.2039	4.0747	4.0747	1.0891	1.0897
C5	2.6079	2.6079	1.3211	3.4116		2.9931	2.9931	3.1572	3.1572	1.0839	1.0839	4.3576	3.8411
H6	1.0905	3.0887	2.2345	2.2747	2.9931		3.8509	1.7720	3.8097	3.0009	4.0167	2.9829	2.4940
H7	3.0887	1.0905	2.2345	2.2747	2.9931	3.8509		3.8097	1.7720	4.0167	3.0009	2.9829	2.4940
H8	1.0934	2.7569	2.1722	2.2039	3.1572	1.7720	3.8097		2.9536	3.3760	4.1067	2.4814	3.0623
H9	2.7569	1.0934	2.1722	2.2039	3.1572	3.8097	1.7720	2.9536		4.1067	3.3760	2.4814	3.0623
H10	2.9397	3.5575	2.1001	4.0747	1.0839	3.0009	4.0167	3.3760	4.1067		1.8510	5.0076	4.4525
H11	3.5575	2.9397	2.1001	4.0747	1.0839	4.0167	3.0009	4.1067	3.3760	1.8510		5.0076	4.4525
H12	2.2627	2.2627	3.0376	1.0891	4.3576	2.9829	2.9829	2.4814	2.4814	5.0076	5.0076		1.7730
H13	2.2000	2.2000	2.7141	1.0897	3.8411	2.4940	2.4940	3.0623	3.0623	4.4525	4.4525	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.657	C1	C3	C5	133.923
C1	C4	C2	88.904	C1	C4	H12	117.103
C1	C4	H13	111.841	C2	C3	C5	133.923
C2	C4	H12	117.103	C2	C4	H13	111.841
C3	C1	C4	87.840	C3	C1	H6	117.429
C3	C1	H8	111.994	C3	C2	C4	87.840
C3	C2	H7	117.429	C3	C2	H9	111.994
C3	C5	H10	121.362	C3	C5	H11	121.362
C4	C1	H6	118.049	C4	C1	H8	111.931
C4	C2	H7	118.049	C4	C2	H9	111.931
H6	C1	H8	108.466	H7	C2	H9	108.466
H10	C5	H11	117.277	H12	C4	H13	108.929

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.165
2	C	-0.165
3	C	0.022
4	C	-0.157
5	C	-0.287
6	H	0.089
7	H	0.089
8	H	0.092
9	H	0.092
10	H	0.108
11	H	0.108
12	H	0.087
13	H	0.090

	x	y	z	Total
	0.215	-0.544	0.000	0.585
CHELPG
AIM
ESP

	x	y	z
x	7.110	-1.600	0.000
y	-1.600	10.148	0.000
z	0.000	0.000	8.228

<r²>	115.025
(<r²>)^1/2	10.725

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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