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	hartrees
Energy at 0K	-193.885032
Energy at 298.15K	-193.893769
Nuclear repulsion energy	167.157025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	2986	104.24
2	A'	3317	2985	14.78
3	A'	3285	2956	24.67
4	A'	3254	2928	69.24
5	A'	3229	2906	11.24
6	A'	1891	1701	30.58
7	A'	1651	1486	0.76
8	A'	1625	1462	2.17
9	A'	1581	1422	3.52
10	A'	1408	1267	0.48
11	A'	1343	1208	0.07
12	A'	1223	1100	0.39
13	A'	1080	972	82.46
14	A'	1031	928	2.07
15	A'	945	851	0.04
16	A'	815	733	3.13
17	A'	729	656	3.44
18	A'	427	384	14.90
19	A'	66	59	0.01
20	A"	3415	3073	25.62
21	A"	3290	2960	6.46
22	A"	3227	2904	89.87
23	A"	1618	1456	11.19
24	A"	1433	1290	0.02
25	A"	1385	1246	0.44
26	A"	1350	1215	2.76
27	A"	1327	1194	5.15
28	A"	1152	1037	0.05
29	A"	1016	915	2.05
30	A"	985	887	2.64
31	A"	897	807	0.06
32	A"	706	635	0.08
33	A"	387	348	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.091	-0.432	1.102
C2	0.091	-0.432	-1.102
C3	0.000	0.625	0.000
C4	-0.018	-1.536	0.000
C5	-0.165	1.942	0.000
H6	-0.701	-0.413	1.839
H7	-0.701	-0.413	-1.839
H8	1.042	-0.430	1.622
H9	1.042	-0.430	-1.622
H10	-0.236	2.501	0.916
H11	-0.236	2.501	-0.916
H12	0.768	-2.278	0.000
H13	-0.972	-2.046	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.2042	1.5297	1.5641	2.6294	1.0821	3.0462	1.0835	2.8853	2.9563	3.5747	2.2540	2.2250
C2	2.2042		1.5297	1.5641	2.6294	3.0462	1.0821	2.8853	1.0835	3.5747	2.9563	2.2540	2.2250
C3	1.5297	1.5297		2.1614	1.3270	2.2252	2.2252	2.1976	2.1976	2.1005	2.1005	3.0028	2.8424
C4	1.5641	1.5641	2.1614		3.4811	2.2607	2.2607	2.2313	2.2313	4.1451	4.1451	1.0807	1.0814
C5	2.6294	2.6294	1.3270	3.4811		3.0355	3.0355	3.1165	3.1165	1.0754	1.0754	4.3215	4.0685
H6	1.0821	3.0462	2.2252	2.2607	3.0355		3.6786	1.7561	3.8753	3.0913	4.0368	3.0030	2.4746
H7	3.0462	1.0821	2.2252	2.2607	3.0355	3.6786		3.8753	1.7561	4.0368	3.0913	3.0030	2.4746
H8	1.0835	2.8853	2.1976	2.2313	3.1165	1.7561	3.8753		3.2442	3.2739	4.0820	2.4741	3.0493
H9	2.8853	1.0835	2.1976	2.2313	3.1165	3.8753	1.7561	3.2442		4.0820	3.2739	2.4741	3.0493
H10	2.9563	3.5747	2.1005	4.1451	1.0754	3.0913	4.0368	3.2739	4.0820		1.8322	4.9679	4.6958
H11	3.5747	2.9563	2.1005	4.1451	1.0754	4.0368	3.0913	4.0820	3.2739	1.8322		4.9679	4.6958
H12	2.2540	2.2540	3.0028	1.0807	4.3215	3.0030	3.0030	2.4741	2.4741	4.9679	4.9679		1.7553
H13	2.2250	2.2250	2.8424	1.0814	4.0685	2.4746	2.4746	3.0493	3.0493	4.6958	4.6958	1.7553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	92.188	C1	C3	C5	133.865
C1	C4	C2	89.596	C1	C4	H12	115.700
C1	C4	H13	113.237	C2	C3	C5	133.865
C2	C4	H12	115.700	C2	C4	H13	113.237
C3	C1	C4	88.628	C3	C1	H6	115.796
C3	C1	H8	113.382	C3	C2	C4	88.628
C3	C2	H7	115.796	C3	C2	H9	113.382
C3	C5	H10	121.584	C3	C5	H11	121.584
C4	C1	H6	116.175	C4	C1	H8	113.626
C4	C2	H7	116.175	C4	C2	H9	113.626
H6	C1	H8	108.366	H7	C2	H9	108.366
H10	C5	H11	116.831	H12	C4	H13	108.549

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

using model chemistry: HF/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	-0.422
2	C	-0.422
3	C	0.301
4	C	-0.372
5	C	-0.608
6	H	0.195
7	H	0.195
8	H	0.191
9	H	0.191
10	H	0.192
11	H	0.192
12	H	0.185
13	H	0.181

	x	y	z	Total
	0.049	-0.625	0.000	0.627
CHELPG
AIM
ESP

	x	y	z
x	9.850	0.000	-0.226
y	0.000	6.860	0.000
z	-0.226	0.000	5.126

<r²>	117.388
(<r²>)^1/2	10.835

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

using model chemistry: HF/LANL2DZ

States and conformations

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