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	hartrees
Energy at 0K	-195.266143
Energy at 298.15K	-195.274596
Nuclear repulsion energy	165.854956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3039	73.39
2	A'	3147	3025	8.01
3	A'	3119	2998	23.53
4	A'	3090	2970	53.17
5	A'	3063	2944	7.78
6	A'	1750	1682	32.47
7	A'	1519	1460	1.24
8	A'	1497	1438	2.40
9	A'	1462	1405	3.11
10	A'	1279	1229	1.66
11	A'	1227	1180	0.06
12	A'	1114	1071	2.23
13	A'	972	934	2.45
14	A'	963	925	88.11
15	A'	881	847	0.19
16	A'	759	729	6.40
17	A'	674	648	2.22
18	A'	389	374	9.16
19	A'	88	85	0.01
20	A"	3246	3120	19.64
21	A"	3124	3002	8.99
22	A"	3059	2941	65.30
23	A"	1487	1429	14.04
24	A"	1304	1254	0.78
25	A"	1267	1218	3.86
26	A"	1235	1187	4.83
27	A"	1209	1162	7.52
28	A"	1054	1013	0.10
29	A"	948	911	1.81
30	A"	914	879	2.20
31	A"	823	792	0.10
32	A"	645	620	0.08
33	A"	357	343	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.123	-0.432	1.107
C2	0.123	-0.432	-1.107
C3	0.000	0.627	0.000
C4	-0.006	-1.543	0.000
C5	-0.240	1.948	0.000
H6	-0.654	-0.416	1.879
H7	-0.654	-0.416	-1.879
H8	1.103	-0.430	1.603
H9	1.103	-0.430	-1.603
H10	-0.340	2.509	0.927
H11	-0.340	2.509	-0.927
H12	0.772	-2.312	0.000
H13	-0.987	-2.031	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2141	1.5369	1.5744	2.6498	1.0958	3.0857	1.0979	2.8814	2.9827	3.6060	2.2768	2.2394
C2	2.2141		1.5369	1.5744	2.6498	3.0857	1.0958	2.8814	1.0979	3.6060	2.9827	2.2768	2.2394
C3	1.5369	1.5369		2.1709	1.3425	2.2467	2.2467	2.2144	2.2144	2.1255	2.1255	3.0395	2.8354
C4	1.5744	1.5744	2.1709		3.4996	2.2853	2.2853	2.2447	2.2447	4.1710	4.1710	1.0940	1.0947
C5	2.6498	2.6498	1.3425	3.4996		3.0483	3.0483	3.1669	3.1669	1.0886	1.0886	4.3792	4.0485
H6	1.0958	3.0857	2.2467	2.2853	3.0483		3.7583	1.7787	3.9002	3.0921	4.0660	3.0268	2.4999
H7	3.0857	1.0958	2.2467	2.2853	3.0483	3.7583		3.9002	1.7787	4.0660	3.0921	3.0268	2.4999
H8	1.0979	2.8814	2.2144	2.2447	3.1669	1.7787	3.9002		3.2056	3.3435	4.1383	2.4943	3.0817
H9	2.8814	1.0979	2.2144	2.2447	3.1669	3.9002	1.7787	3.2056		4.1383	3.3435	2.4943	3.0817
H10	2.9827	3.6060	2.1255	4.1710	1.0886	3.0921	4.0660	3.3435	4.1383		1.8550	5.0346	4.6788
H11	3.6060	2.9827	2.1255	4.1710	1.0886	4.0660	3.0921	4.1383	3.3435	1.8550		5.0346	4.6788
H12	2.2768	2.2768	3.0395	1.0940	4.3792	3.0268	3.0268	2.4943	2.4943	5.0346	5.0346		1.7809
H13	2.2394	2.2394	2.8354	1.0947	4.0485	2.4999	2.4999	3.0817	3.0817	4.6788	4.6788	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.158	C1	C3	C5	133.809
C1	C4	C2	89.361	C1	C4	H12	115.969
C1	C4	H13	112.834	C2	C3	C5	133.809
C2	C4	H12	115.969	C2	C4	H13	112.834
C3	C1	C4	88.485	C3	C1	H6	116.153
C3	C1	H8	113.322	C3	C2	C4	88.485
C3	C2	H7	116.153	C3	C2	H9	113.322
C3	C5	H10	121.573	C3	C5	H11	121.573
C4	C1	H6	116.562	C4	C1	H8	113.072
C4	C2	H7	116.562	C4	C2	H9	113.072
H6	C1	H8	108.349	H7	C2	H9	108.349
H10	C5	H11	116.855	H12	C4	H13	108.911

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

using model chemistry: B3LYP/LANL2DZ

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	0.466
4	C	-0.403
5	C	-0.727
6	H	0.220
7	H	0.220
8	H	0.209
9	H	0.209
10	H	0.217
11	H	0.217
12	H	0.214
13	H	0.203

	x	y	z	Total
	0.052	-0.637	0.000	0.639
CHELPG
AIM
ESP

	x	y	z
x	9.861	-0.001	-0.303
y	-0.001	7.117	-0.003
z	-0.303	-0.003	5.244

<r²>	118.239
(<r²>)^1/2	10.874

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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