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	hartrees
Energy at 0K	-194.257376
Energy at 298.15K	-194.265755
Nuclear repulsion energy	168.895395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	3032	1.58
2	A'	3063	3030	22.00
3	A'	3032	2999	6.34
4	A'	3003	2971	30.88
5	A'	2973	2940	7.70
6	A'	1736	1718	38.17
7	A'	1422	1406	1.01
8	A'	1393	1378	4.13
9	A'	1365	1350	3.09
10	A'	1200	1187	2.39
11	A'	1175	1162	0.23
12	A'	1049	1037	0.20
13	A'	984	973	0.93
14	A'	882	873	0.22
15	A'	859	849	46.06
16	A'	737	729	2.92
17	A'	650	643	2.50
18	A'	378	374	7.45
19	A'	117	116	0.09
20	A"	3152	3118	4.91
21	A"	3035	3002	15.61
22	A"	2969	2937	24.50
23	A"	1375	1360	12.47
24	A"	1246	1232	0.11
25	A"	1187	1174	0.38
26	A"	1174	1161	1.88
27	A"	1145	1132	2.38
28	A"	997	986	0.16
29	A"	931	921	1.31
30	A"	888	879	1.01
31	A"	779	770	0.13
32	A"	618	611	0.10
33	A"	346	342	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.287	-0.363	1.075
C2	0.287	-0.363	-1.075
C3	-0.124	0.600	0.000
C4	0.287	-1.463	0.000
C5	-0.773	1.750	0.000
H6	-0.377	-0.473	1.944
H7	-0.377	-0.473	-1.944
H8	1.306	-0.155	1.441
H9	1.306	-0.155	-1.441
H10	-1.052	2.242	0.934
H11	-1.052	2.242	-0.934
H12	1.124	-2.173	0.000
H13	-0.656	-2.026	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1506	1.5005	1.5388	2.5967	1.0988	3.0936	1.1023	2.7224	2.9325	3.5520	2.2656	2.1934
C2	2.1506		1.5005	1.5388	2.5967	3.0936	1.0988	2.7224	1.1023	3.5520	2.9325	2.2656	2.1934
C3	1.5005	1.5005		2.1039	1.3206	2.2354	2.2354	2.1653	2.1653	2.1052	2.1052	3.0404	2.6793
C4	1.5388	1.5388	2.1039		3.3838	2.2804	2.2804	2.1968	2.1968	4.0495	4.0495	1.0972	1.0979
C5	2.5967	2.5967	1.3206	3.3838		2.9804	2.9804	3.1662	3.1662	1.0921	1.0921	4.3573	3.7779
H6	1.0988	3.0936	2.2354	2.2804	2.9804		3.8886	1.7846	3.7933	2.9755	4.0146	2.9864	2.5036
H7	3.0936	1.0988	2.2354	2.2804	2.9804	3.8886		3.7933	1.7846	4.0146	2.9755	2.9864	2.5036
H8	1.1023	2.7224	2.1653	2.1968	3.1662	1.7846	3.7933		2.8814	3.4007	4.1167	2.4858	3.0699
H9	2.7224	1.1023	2.1653	2.1968	3.1662	3.7933	1.7846	2.8814		4.1167	3.4007	2.4858	3.0699
H10	2.9325	3.5520	2.1052	4.0495	1.0921	2.9755	4.0146	3.4007	4.1167		1.8679	5.0101	4.3870
H11	3.5520	2.9325	2.1052	4.0495	1.0921	4.0146	2.9755	4.1167	3.4007	1.8679		5.0101	4.3870
H12	2.2656	2.2656	3.0404	1.0972	4.3573	2.9864	2.9864	2.4858	2.4858	5.0101	5.0101		1.7863
H13	2.1934	2.1934	2.6793	1.0979	3.7779	2.5036	2.5036	3.0699	3.0699	4.3870	4.3870	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.552	C1	C3	C5	133.883
C1	C4	C2	88.660	C1	C4	H12	117.538
C1	C4	H13	111.490	C2	C3	C5	133.883
C2	C4	H12	117.538	C2	C4	H13	111.490
C3	C1	C4	87.605	C3	C1	H6	117.802
C3	C1	H8	111.680	C3	C2	C4	87.605
C3	C2	H7	117.802	C3	C2	H9	111.680
C3	C5	H10	121.222	C3	C5	H11	121.222
C4	C1	H6	118.720	C4	C1	H8	111.492
C4	C2	H7	118.720	C4	C2	H9	111.492
H6	C1	H8	108.353	H7	C2	H9	108.353
H10	C5	H11	117.556	H12	C4	H13	108.928

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

using model chemistry: LSDA/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	-0.226
2	C	-0.226
3	C	0.050
4	C	-0.199
5	C	-0.291
6	H	0.110
7	H	0.110
8	H	0.116
9	H	0.116
10	H	0.111
11	H	0.111
12	H	0.107
13	H	0.114

	x	y	z	Total
	0.257	-0.571	0.000	0.627
CHELPG
AIM
ESP

	x	y	z
x	7.529	-1.770	0.000
y	-1.770	10.253	0.000
z	0.000	0.000	8.562

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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