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	hartrees
Energy at 0K	-195.247975
Energy at 298.15K	-195.256381
Nuclear repulsion energy	166.281939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3035	9.81
2	A'	3145	3025	50.29
3	A'	3100	2983	26.61
4	A'	3088	2971	43.30
5	A'	3059	2943	2.72
6	A'	1768	1700	17.56
7	A'	1540	1481	0.31
8	A'	1517	1459	0.40
9	A'	1483	1427	0.88
10	A'	1289	1240	0.18
11	A'	1243	1196	0.06
12	A'	1121	1079	0.18
13	A'	969	933	0.91
14	A'	943	907	49.66
15	A'	872	839	0.11
16	A'	766	737	2.43
17	A'	679	653	0.79
18	A'	390	375	6.10
19	A'	44	42	0.02
20	A"	3236	3113	19.71
21	A"	3104	2986	3.37
22	A"	3054	2938	56.45
23	A"	1508	1451	4.54
24	A"	1310	1260	0.00
25	A"	1273	1224	1.50
26	A"	1248	1201	0.45
27	A"	1217	1171	4.73
28	A"	1069	1028	0.02
29	A"	941	905	0.62
30	A"	913	878	2.19
31	A"	834	802	0.02
32	A"	650	626	0.02
33	A"	364	350	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.064	-0.433	1.106
C2	0.064	-0.433	-1.106
C3	0.000	0.626	0.000
C4	-0.010	-1.544	0.000
C5	-0.118	1.953	0.000
H6	-0.764	-0.420	1.825
H7	-0.764	-0.420	-1.825
H8	1.003	-0.431	1.672
H9	1.003	-0.431	-1.672
H10	-0.169	2.523	0.924
H11	-0.169	2.523	-0.924
H12	0.817	-2.259	0.000
H13	-0.952	-2.099	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2123	1.5326	1.5693	2.6361	1.0957	3.0453	1.0968	2.9331	2.9710	3.5938	2.2637	2.2428
C2	2.2123		1.5326	1.5693	2.6361	3.0453	1.0957	2.9331	1.0968	3.5938	2.9710	2.2637	2.2428
C3	1.5326	1.5326		2.1696	1.3323	2.2372	2.2372	2.2179	2.2179	2.1172	2.1172	2.9981	2.8863
C4	1.5693	1.5693	2.1696		3.4983	2.2717	2.2717	2.2498	2.2498	4.1736	4.1736	1.0930	1.0935
C5	2.6361	2.6361	1.3323	3.4983		3.0617	3.0617	3.1202	3.1202	1.0870	1.0870	4.3143	4.1367
H6	1.0957	3.0453	2.2372	2.2717	3.0617		3.6491	1.7730	3.9179	3.1343	4.0703	3.0347	2.4870
H7	3.0453	1.0957	2.2372	2.2717	3.0617	3.6491		3.9179	1.7730	4.0703	3.1343	3.0347	2.4870
H8	1.0968	2.9331	2.2179	2.2498	3.1202	1.7730	3.9179		3.3449	3.2650	4.1038	2.4848	3.0662
H9	2.9331	1.0968	2.2179	2.2498	3.1202	3.9179	1.7730	3.3449		4.1038	3.2650	2.4848	3.0662
H10	2.9710	3.5938	2.1172	4.1736	1.0870	3.1343	4.0703	3.2650	4.1038		1.8479	4.9694	4.7782
H11	3.5938	2.9710	2.1172	4.1736	1.0870	4.0703	3.1343	4.1038	3.2650	1.8479		4.9694	4.7782
H12	2.2637	2.2637	2.9981	1.0930	4.3143	3.0347	3.0347	2.4848	2.4848	4.9694	4.9694		1.7757
H13	2.2428	2.2428	2.8863	1.0935	4.1367	2.4870	2.4870	3.0662	3.0662	4.7782	4.7782	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.400	C1	C3	C5	133.777
C1	C4	C2	89.642	C1	C4	H12	115.326
C1	C4	H13	113.561	C2	C3	C5	133.777
C2	C4	H12	115.326	C2	C4	H13	113.561
C3	C1	C4	88.756	C3	C1	H6	115.684
C3	C1	H8	114.000	C3	C2	C4	88.756
C3	C2	H7	115.684	C3	C2	H9	114.000
C3	C5	H10	121.788	C3	C5	H11	121.788
C4	C1	H6	115.820	C4	C1	H8	113.924
C4	C2	H7	115.820	C4	C2	H9	113.924
H6	C1	H8	107.937	H7	C2	H9	107.937
H10	C5	H11	116.423	H12	C4	H13	108.608

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

using model chemistry: B3LYP/6-31G

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	-0.271
2	C	-0.271
3	C	0.095
4	C	-0.282
5	C	-0.360
6	H	0.145
7	H	0.145
8	H	0.147
9	H	0.147
10	H	0.119
11	H	0.119
12	H	0.131
13	H	0.136

	x	y	z	Total
	0.033	-0.517	0.000	0.518
CHELPG
AIM
ESP

	x	y	z
x	9.596	0.000	-0.192
y	0.000	7.239	-0.000
z	-0.192	-0.000	5.198

<r²>	117.937
(<r²>)^1/2	10.860

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

using model chemistry: B3LYP/6-31G

States and conformations

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