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	hartrees
Energy at 0K	-195.247788
Energy at 298.15K	-195.256252
Nuclear repulsion energy	167.866276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3019	8.20
2	A'	3171	3007	40.64
3	A'	3136	2974	17.00
4	A'	3112	2951	40.50
5	A'	3083	2924	10.53
6	A'	1791	1698	20.56
7	A'	1532	1453	0.01
8	A'	1503	1425	1.85
9	A'	1465	1390	0.74
10	A'	1285	1219	0.15
11	A'	1241	1177	0.08
12	A'	1110	1052	0.05
13	A'	998	946	0.45
14	A'	910	863	38.95
15	A'	904	857	6.89
16	A'	761	722	2.28
17	A'	669	635	1.76
18	A'	383	363	5.59
19	A'	98	93	0.02
20	A"	3265	3096	12.57
21	A"	3139	2977	16.70
22	A"	3079	2920	42.36
23	A"	1491	1414	3.11
24	A"	1310	1242	0.14
25	A"	1264	1199	0.18
26	A"	1239	1175	1.49
27	A"	1213	1150	2.58
28	A"	1060	1005	0.14
29	A"	960	910	1.11
30	A"	926	878	0.79
31	A"	823	780	0.15
32	A"	648	614	0.15
33	A"	355	337	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.178	-0.422	1.088
C2	0.178	-0.422	-1.088
C3	0.000	0.620	0.000
C4	-0.016	-1.510	0.000
C5	-0.342	1.901	0.000
H6	-0.530	-0.403	1.922
H7	-0.530	-0.403	-1.922
H8	1.194	-0.425	1.500
H9	1.194	-0.425	-1.500
H10	-0.489	2.450	0.926
H11	-0.489	2.450	-0.926
H12	0.691	-2.342	0.000
H13	-1.033	-1.910	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1760	1.5165	1.5508	2.6174	1.0938	3.0917	1.0962	2.7799	2.9526	3.5703	2.2660	2.2057
C2	2.1760		1.5165	1.5508	2.6174	3.0917	1.0938	2.7799	1.0962	3.5703	2.9526	2.2660	2.2057
C3	1.5165	1.5165		2.1292	1.3266	2.2400	2.2400	2.1831	2.1831	2.1087	2.1087	3.0412	2.7324
C4	1.5508	1.5508	2.1292		3.4265	2.2764	2.2764	2.2113	2.2113	4.0938	4.0938	1.0922	1.0925
C5	2.6174	2.6174	1.3266	3.4265		3.0060	3.0060	3.1654	3.1654	1.0862	1.0862	4.3674	3.8737
H6	1.0938	3.0917	2.2400	2.2764	3.0060		3.8431	1.7749	3.8310	3.0216	4.0306	2.9908	2.4937
H7	3.0917	1.0938	2.2400	2.2764	3.0060	3.8431		3.8310	1.7749	4.0306	3.0216	2.9908	2.4937
H8	1.0962	2.7799	2.1831	2.2113	3.1654	1.7749	3.8310		2.9993	3.3804	4.1208	2.4854	3.0679
H9	2.7799	1.0962	2.1831	2.2113	3.1654	3.8310	1.7749	2.9993		4.1208	3.3804	2.4854	3.0679
H10	2.9526	3.5703	2.1087	4.0938	1.0862	3.0216	4.0306	3.3804	4.1208		1.8516	5.0213	4.4905
H11	3.5703	2.9526	2.1087	4.0938	1.0862	4.0306	3.0216	4.1208	3.3804	1.8516		5.0213	4.4905
H12	2.2660	2.2660	3.0412	1.0922	4.3674	2.9908	2.9908	2.4854	2.4854	5.0213	5.0213		1.7767
H13	2.2057	2.2057	2.7324	1.0925	3.8737	2.4937	2.4937	3.0679	3.0679	4.4905	4.4905	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.689	C1	C3	C5	133.926
C1	C4	C2	89.103	C1	C4	H12	116.977
C1	C4	H13	111.949	C2	C3	C5	133.926
C2	C4	H12	116.977	C2	C4	H13	111.949
C3	C1	C4	87.916	C3	C1	H6	117.302
C3	C1	H8	112.360	C3	C2	C4	87.916
C3	C2	H7	117.302	C3	C2	H9	112.360
C3	C5	H10	121.529	C3	C5	H11	121.529
C4	C1	H6	117.766	C4	C1	H8	112.173
C4	C2	H7	117.766	C4	C2	H9	112.173
H6	C1	H8	108.283	H7	C2	H9	108.283
H10	C5	H11	116.941	H12	C4	H13	108.827

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

using model chemistry: mPW1PW91/6-31G*

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	-0.380
2	C	-0.380
3	C	0.194
4	C	-0.348
5	C	-0.486
6	H	0.180
7	H	0.180
8	H	0.183
9	H	0.183
10	H	0.163
11	H	0.163
12	H	0.168
13	H	0.179

	x	y	z	Total
	0.089	-0.529	0.000	0.536
CHELPG
AIM
ESP

<r²>	115.298
(<r²>)^1/2	10.738

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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