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	hartrees
Energy at 0K	-195.202247
Energy at 298.15K	-195.210734
Nuclear repulsion energy	168.137000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3026	7.41
2	A'	3154	3017	39.88
3	A'	3123	2987	12.06
4	A'	3092	2958	45.43
5	A'	3065	2932	12.26
6	A'	1770	1693	32.97
7	A'	1500	1435	0.07
8	A'	1470	1406	2.92
9	A'	1437	1374	0.84
10	A'	1261	1207	0.10
11	A'	1221	1168	0.37
12	A'	1090	1043	0.61
13	A'	990	947	0.63
14	A'	902	863	33.23
15	A'	899	860	21.21
16	A'	756	723	2.39
17	A'	660	631	2.42
18	A'	386	369	8.03
19	A'	118	113	0.08
20	A"	3251	3110	12.80
21	A"	3126	2991	22.55
22	A"	3062	2929	42.18
23	A"	1457	1394	5.09
24	A"	1291	1235	0.03
25	A"	1242	1188	0.40
26	A"	1219	1167	1.15
27	A"	1193	1141	2.31
28	A"	1040	995	0.20
29	A"	949	907	1.41
30	A"	916	876	1.00
31	A"	809	774	0.14
32	A"	642	614	0.15
33	A"	356	341	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	-0.369	1.084
C2	0.283	-0.369	-1.084
C3	-0.126	0.605	0.000
C4	0.283	-1.476	0.000
C5	-0.759	1.773	0.000
H6	-0.386	-0.485	1.941
H7	-0.386	-0.485	-1.941
H8	1.293	-0.165	1.455
H9	1.293	-0.165	-1.455
H10	-1.030	2.268	0.927
H11	-1.030	2.268	-0.927
H12	1.119	-2.177	0.000
H13	-0.653	-2.038	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1680	1.5136	1.5487	2.6170	1.0927	3.0998	1.0955	2.7406	2.9504	3.5672	2.2676	2.1988
C2	2.1680		1.5136	1.5487	2.6170	3.0998	1.0927	2.7406	1.0955	3.5672	2.9504	2.2676	2.1988
C3	1.5136	1.5136		2.1200	1.3286	2.2409	2.2409	2.1732	2.1732	2.1082	2.1082	3.0476	2.6948
C4	1.5487	1.5487	2.1200		3.4112	2.2790	2.2790	2.2037	2.2037	4.0741	4.0741	1.0915	1.0919
C5	2.6170	2.6170	1.3286	3.4112		3.0005	3.0005	3.1753	3.1753	1.0856	1.0856	4.3735	3.8120
H6	1.0927	3.0998	2.2409	2.2790	3.0005		3.8813	1.7764	3.8018	3.0039	4.0274	2.9821	2.4998
H7	3.0998	1.0927	2.2409	2.2790	3.0005	3.8813		3.8018	1.7764	4.0274	3.0039	2.9821	2.4998
H8	1.0955	2.7406	2.1732	2.2037	3.1753	1.7764	3.8018		2.9109	3.4050	4.1220	2.4896	3.0682
H9	2.7406	1.0955	2.1732	2.2037	3.1753	3.8018	1.7764	2.9109		4.1220	3.4050	2.4896	3.0682
H10	2.9504	3.5672	2.1082	4.0741	1.0856	3.0039	4.0274	3.4050	4.1220		1.8541	5.0238	4.4209
H11	3.5672	2.9504	2.1082	4.0741	1.0856	4.0274	3.0039	4.1220	3.4050	1.8541		5.0238	4.4209
H12	2.2676	2.2676	3.0476	1.0915	4.3735	2.9821	2.9821	2.4896	2.4896	5.0238	5.0238		1.7775
H13	2.1988	2.1988	2.6948	1.0919	3.8120	2.4998	2.4998	3.0682	3.0682	4.4209	4.4209	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.481	C1	C3	C5	133.981
C1	C4	C2	88.845	C1	C4	H12	117.333
C1	C4	H13	111.578	C2	C3	C5	133.981
C2	C4	H12	117.333	C2	C4	H13	111.578
C3	C1	C4	87.616	C3	C1	H6	117.681
C3	C1	H8	111.802	C3	C2	C4	87.616
C3	C2	H7	117.681	C3	C2	H9	111.802
C3	C5	H10	121.350	C3	C5	H11	121.350
C4	C1	H6	118.240	C4	C1	H8	111.755
C4	C2	H7	118.240	C4	C2	H9	111.755
H6	C1	H8	108.542	H7	C2	H9	108.542
H10	C5	H11	117.299	H12	C4	H13	108.997

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

using model chemistry: B1B95/6-31+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	-0.522
2	C	-0.522
3	C	0.214
4	C	-0.226
5	C	-0.215
6	H	0.163
7	H	0.163
8	H	0.174
9	H	0.174
10	H	0.141
11	H	0.141
12	H	0.148
13	H	0.166

	x	y	z	Total
	0.252	-0.575	0.000	0.627
CHELPG
AIM
ESP

	x	y	z
x	7.474	-1.612	0.000
y	-1.612	10.091	0.000
z	0.000	0.000	8.094

<r²>	115.337
(<r²>)^1/2	10.740

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

using model chemistry: B1B95/6-31+G**

States and conformations

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