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	hartrees
Energy at 0K	-194.199516
Energy at 298.15K	-194.207883
Nuclear repulsion energy	168.240843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3036	2.71
2	A'	3078	3032	25.70
3	A'	3045	2999	6.97
4	A'	3014	2969	36.84
5	A'	2983	2938	10.14
6	A'	1740	1713	41.13
7	A'	1434	1413	0.73
8	A'	1403	1382	4.99
9	A'	1372	1351	2.17
10	A'	1206	1188	2.94
11	A'	1175	1158	0.31
12	A'	1051	1036	0.34
13	A'	984	970	1.00
14	A'	884	871	0.02
15	A'	848	836	56.89
16	A'	743	731	3.51
17	A'	650	640	2.86
18	A'	380	375	9.12
19	A'	124	122	0.10
20	A"	3173	3125	7.03
21	A"	3049	3003	18.78
22	A"	2980	2935	29.50
23	A"	1386	1365	11.32
24	A"	1250	1231	0.02
25	A"	1189	1171	0.95
26	A"	1173	1155	2.26
27	A"	1150	1133	2.77
28	A"	998	983	0.22
29	A"	936	922	1.74
30	A"	889	875	0.78
31	A"	781	769	0.23
32	A"	619	610	0.16
33	A"	345	339	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.297	-0.361	1.078
C2	0.297	-0.361	-1.078
C3	-0.129	0.600	0.000
C4	0.297	-1.465	0.000
C5	-0.802	1.748	0.000
H6	-0.360	-0.476	1.957
H7	-0.360	-0.476	-1.957
H8	1.322	-0.145	1.436
H9	1.322	-0.145	-1.436
H10	-1.090	2.238	0.937
H11	-1.090	2.238	-0.937
H12	1.136	-2.179	0.000
H13	-0.651	-2.026	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1563	1.5057	1.5429	2.6111	1.1033	3.1073	1.1066	2.7234	2.9492	3.5691	2.2743	2.1989
C2	2.1563		1.5057	1.5429	2.6111	3.1073	1.1033	2.7234	1.1066	3.5691	2.9492	2.2743	2.1989
C3	1.5057	1.5057		2.1080	1.3308	2.2447	2.2447	2.1728	2.1728	2.1177	2.1177	3.0535	2.6772
C4	1.5429	1.5429	2.1080		3.3955	2.2887	2.2887	2.2031	2.2031	4.0633	4.0633	1.1018	1.1023
C5	2.6111	2.6111	1.3308	3.3955		2.9948	2.9948	3.1866	3.1866	1.0958	1.0958	4.3794	3.7770
H6	1.1033	3.1073	2.2447	2.2887	2.9948		3.9132	1.7918	3.8011	2.9893	4.0335	2.9948	2.5131
H7	3.1073	1.1033	2.2447	2.2887	2.9948	3.9132		3.8011	1.7918	4.0335	2.9893	2.9948	2.5131
H8	1.1066	2.7234	2.1728	2.2031	3.1866	1.7918	3.8011		2.8718	3.4268	4.1382	2.4973	3.0814
H9	2.7234	1.1066	2.1728	2.2031	3.1866	3.8011	1.7918	2.8718		4.1382	3.4268	2.4973	3.0814
H10	2.9492	3.5691	2.1177	4.0633	1.0958	2.9893	4.0335	3.4268	4.1382		1.8739	5.0343	4.3874
H11	3.5691	2.9492	2.1177	4.0633	1.0958	4.0335	2.9893	4.1382	3.4268	1.8739		5.0343	4.3874
H12	2.2743	2.2743	3.0535	1.1018	4.3794	2.9948	2.9948	2.4973	2.4973	5.0343	5.0343		1.7938
H13	2.1989	2.1989	2.6772	1.1023	3.7770	2.5131	2.5131	3.0814	3.0814	4.3874	4.3874	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.459	C1	C3	C5	133.920
C1	C4	C2	88.653	C1	C4	H12	117.648
C1	C4	H13	111.363	C2	C3	C5	133.920
C2	C4	H12	117.648	C2	C4	H13	111.363
C3	C1	C4	87.484	C3	C1	H6	117.895
C3	C1	H8	111.657	C3	C2	C4	87.484
C3	C2	H7	117.895	C3	C2	H9	111.657
C3	C5	H10	121.239	C3	C5	H11	121.239
C4	C1	H6	118.801	C4	C1	H8	111.449
C4	C2	H7	118.801	C4	C2	H9	111.449
H6	C1	H8	108.348	H7	C2	H9	108.348
H10	C5	H11	117.521	H12	C4	H13	108.947

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

using model chemistry: LSDA/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	-0.609
2	C	-0.609
3	C	0.148
4	C	-0.258
5	C	-0.121
6	H	0.188
7	H	0.188
8	H	0.198
9	H	0.198
10	H	0.157
11	H	0.157
12	H	0.171
13	H	0.191

	x	y	z	Total
	0.296	-0.620	0.000	0.687
CHELPG
AIM
ESP

	x	y	z
x	7.943	-1.725	0.000
y	-1.725	10.391	0.000
z	0.000	0.000	8.509

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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