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	hartrees
Energy at 0K	-195.222664
Energy at 298.15K	-195.231158
Nuclear repulsion energy	168.394675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3014	9.05
2	A'	3141	3011	55.98
3	A'	3109	2980	17.72
4	A'	3082	2954	48.25
5	A'	3055	2929	15.06
6	A'	1773	1699	26.15
7	A'	1509	1446	0.10
8	A'	1482	1420	3.24
9	A'	1442	1382	1.22
10	A'	1264	1212	0.18
11	A'	1231	1180	0.14
12	A'	1095	1050	0.27
13	A'	993	952	0.57
14	A'	902	865	0.68
15	A'	894	857	46.51
16	A'	755	724	2.22
17	A'	663	636	2.18
18	A'	384	368	7.46
19	A'	118	113	0.12
20	A"	3227	3094	16.79
21	A"	3113	2984	25.43
22	A"	3051	2925	48.14
23	A"	1469	1408	5.36
24	A"	1291	1237	0.00
25	A"	1251	1199	0.16
26	A"	1222	1171	1.50
27	A"	1194	1145	2.44
28	A"	1051	1007	0.20
29	A"	947	908	1.46
30	A"	919	881	0.82
31	A"	814	780	0.14
32	A"	646	619	0.11
33	A"	355	340	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	-0.366	1.083
C2	0.286	-0.366	-1.083
C3	-0.126	0.606	0.000
C4	0.286	-1.472	0.000
C5	-0.769	1.762	0.000
H6	-0.378	-0.483	1.940
H7	-0.378	-0.483	-1.940
H8	1.296	-0.162	1.452
H9	1.296	-0.162	-1.452
H10	-1.046	2.257	0.925
H11	-1.046	2.257	-0.925
H12	1.121	-2.173	0.000
H13	-0.648	-2.034	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1653	1.5125	1.5474	2.6106	1.0911	3.0970	1.0941	2.7357	2.9460	3.5615	2.2655	2.1968
C2	2.1653		1.5125	1.5474	2.6106	3.0970	1.0911	2.7357	1.0941	3.5615	2.9460	2.2655	2.1968
C3	1.5125	1.5125		2.1185	1.3227	2.2391	2.2391	2.1720	2.1720	2.1038	2.1038	3.0459	2.6913
C4	1.5474	1.5474	2.1185		3.4016	2.2767	2.2767	2.2007	2.2007	4.0659	4.0659	1.0900	1.0903
C5	2.6106	2.6106	1.3227	3.4016		2.9925	2.9925	3.1735	3.1735	1.0848	1.0848	4.3652	3.7977
H6	1.0911	3.0970	2.2391	2.2767	2.9925		3.8799	1.7732	3.7960	2.9968	4.0197	2.9778	2.4983
H7	3.0970	1.0911	2.2391	2.2767	2.9925	3.8799		3.7960	1.7732	4.0197	2.9968	2.9778	2.4983
H8	1.0941	2.7357	2.1720	2.2007	3.1735	1.7732	3.7960		2.9035	3.4071	4.1206	2.4866	3.0645
H9	2.7357	1.0941	2.1720	2.2007	3.1735	3.7960	1.7732	2.9035		4.1206	3.4071	2.4866	3.0645
H10	2.9460	3.5615	2.1038	4.0659	1.0848	2.9968	4.0197	3.4071	4.1206		1.8498	5.0171	4.4071
H11	3.5615	2.9460	2.1038	4.0659	1.0848	4.0197	2.9968	4.1206	3.4071	1.8498		5.0171	4.4071
H12	2.2655	2.2655	3.0459	1.0900	4.3652	2.9778	2.9778	2.4866	2.4866	5.0171	5.0171		1.7744
H13	2.1968	2.1968	2.6913	1.0903	3.7977	2.4983	2.4983	3.0645	3.0645	4.4071	4.4071	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.419	C1	C3	C5	133.970
C1	C4	C2	88.798	C1	C4	H12	117.353
C1	C4	H13	111.613	C2	C3	C5	133.970
C2	C4	H12	117.353	C2	C4	H13	111.613
C3	C1	C4	87.625	C3	C1	H6	117.724
C3	C1	H8	111.875	C3	C2	C4	87.625
C3	C2	H7	117.724	C3	C2	H9	111.875
C3	C5	H10	121.504	C3	C5	H11	121.504
C4	C1	H6	118.249	C4	C1	H8	111.699
C4	C2	H7	118.249	C4	C2	H9	111.699
H6	C1	H8	108.482	H7	C2	H9	108.482
H10	C5	H11	116.993	H12	C4	H13	108.945

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

using model chemistry: B1B95/6-311G*

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	-0.474
2	C	-0.474
3	C	0.115
4	C	-0.433
5	C	-0.503
6	H	0.224
7	H	0.224
8	H	0.233
9	H	0.233
10	H	0.206
11	H	0.206
12	H	0.215
13	H	0.227

	x	y	z	Total
	0.200	-0.501	0.000	0.539
CHELPG
AIM
ESP

	x	y	z
x	6.769	-1.763	0.000
y	-1.763	9.439	0.000
z	0.000	0.000	7.745

<r²>	114.677
(<r²>)^1/2	10.709

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

using model chemistry: B1B95/6-311G*

States and conformations

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