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	hartrees
Energy at 0K	-195.279853
Energy at 298.15K	-195.288332
HF Energy	-195.279853
Nuclear repulsion energy	167.859304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3013	6.49
2	A'	3148	3011	48.29
3	A'	3116	2981	15.87
4	A'	3088	2953	42.02
5	A'	3063	2930	9.25
6	A'	1783	1706	29.33
7	A'	1506	1441	0.14
8	A'	1476	1412	2.68
9	A'	1443	1380	1.54
10	A'	1272	1217	0.07
11	A'	1229	1176	0.20
12	A'	1096	1049	0.26
13	A'	988	945	0.76
14	A'	926	886	45.99
15	A'	894	855	0.22
16	A'	755	722	2.28
17	A'	671	642	1.76
18	A'	385	368	7.84
19	A'	85	81	0.04
20	A"	3236	3096	12.72
21	A"	3120	2984	15.18
22	A"	3060	2927	47.22
23	A"	1468	1404	6.92
24	A"	1297	1241	0.04
25	A"	1254	1199	0.26
26	A"	1228	1175	1.23
27	A"	1208	1156	2.66
28	A"	1055	1009	0.14
29	A"	946	905	1.26
30	A"	922	881	1.33
31	A"	823	787	0.10
32	A"	652	624	0.09
33	A"	358	342	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.218	-0.395	1.092
C2	0.218	-0.395	-1.092
C3	-0.096	0.613	0.000
C4	0.218	-1.501	0.000
C5	-0.584	1.842	0.000
H6	-0.511	-0.487	1.899
H7	-0.511	-0.487	-1.899
H8	1.208	-0.237	1.530
H9	1.208	-0.237	-1.530
H10	-0.796	2.366	0.927
H11	-0.796	2.366	-0.927
H12	1.065	-2.189	0.000
H13	-0.707	-2.079	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1835	1.5189	1.5541	2.6154	1.0920	3.0800	1.0939	2.8066	2.9459	3.5674	2.2641	2.2100
C2	2.1835		1.5189	1.5541	2.6154	3.0800	1.0920	2.8066	1.0939	3.5674	2.9459	2.2641	2.2100
C3	1.5189	1.5189		2.1374	1.3223	2.2337	2.2337	2.1826	2.1826	2.1027	2.1027	3.0329	2.7605
C4	1.5541	1.5541	2.1374		3.4380	2.2731	2.2731	2.2176	2.2176	4.1038	4.1038	1.0907	1.0912
C5	2.6154	2.6154	1.3223	3.4380		3.0061	3.0061	3.1425	3.1425	1.0856	1.0856	4.3551	3.9228
H6	1.0920	3.0800	2.2337	2.2731	3.0061		3.7984	1.7762	3.8440	3.0276	4.0259	2.9977	2.4858
H7	3.0800	1.0920	2.2337	2.2731	3.0061	3.7984		3.8440	1.7762	4.0259	3.0276	2.9977	2.4858
H8	1.0939	2.8066	2.1826	2.2176	3.1425	1.7762	3.8440		3.0596	3.3399	4.1021	2.4840	3.0663
H9	2.8066	1.0939	2.1826	2.2176	3.1425	3.8440	1.7762	3.0596		4.1021	3.3399	2.4840	3.0663
H10	2.9459	3.5674	2.1027	4.1038	1.0856	3.0276	4.0259	3.3399	4.1021		1.8538	5.0067	4.5413
H11	3.5674	2.9459	2.1027	4.1038	1.0856	4.0259	3.0276	4.1021	3.3399	1.8538		5.0067	4.5413
H12	2.2641	2.2641	3.0329	1.0907	4.3551	2.9977	2.9977	2.4840	2.4840	5.0067	5.0067		1.7755
H13	2.2100	2.2100	2.7605	1.0912	3.9228	2.4858	2.4858	3.0663	3.0663	4.5413	4.5413	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.909	C1	C3	C5	133.886
C1	C4	C2	89.254	C1	C4	H12	116.665
C1	C4	H13	112.143	C2	C3	C5	133.886
C2	C4	H12	116.665	C2	C4	H13	112.143
C3	C1	C4	88.132	C3	C1	H6	116.693
C3	C1	H8	112.286	C3	C2	C4	88.132
C3	C2	H7	116.693	C3	C2	H9	112.286
C3	C5	H10	121.369	C3	C5	H11	121.369
C4	C1	H6	117.348	C4	C1	H8	112.588
C4	C2	H7	117.348	C4	C2	H9	112.588
H6	C1	H8	108.694	H7	C2	H9	108.694
H10	C5	H11	117.261	H12	C4	H13	108.928

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

using model chemistry: wB97X-D/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	-0.209
2	C	-0.209
3	C	-0.114
4	C	-0.249
5	C	-0.227
6	H	0.130
7	H	0.130
8	H	0.139
9	H	0.139
10	H	0.111
11	H	0.111
12	H	0.118
13	H	0.131

	x	y	z	Total
	0.170	-0.523	0.000	0.550
CHELPG
AIM
ESP

	x	y	z
x	6.524	-1.484	0.000
y	-1.484	9.773	0.000
z	0.000	0.000	7.766

<r²>	115.618
(<r²>)^1/2	10.753

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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