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	hartrees
Energy at 0K	-195.139377
Energy at 298.15K	-195.133275
HF Energy	-195.311088
Nuclear repulsion energy	167.372685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3028	7.21
2	A'	3125	3016	41.46
3	A'	3087	2979	19.51
4	A'	3069	2962	39.27
5	A'	3041	2934	9.26
6	A'	1759	1697	18.72
7	A'	1498	1445	0.14
8	A'	1473	1421	0.97
9	A'	1445	1395	0.80
10	A'	1263	1219	1.63
11	A'	1221	1178	0.13
12	A'	1095	1057	0.22
13	A'	972	938	0.30
14	A'	912	880	33.65
15	A'	884	853	0.63
16	A'	744	718	1.55
17	A'	666	642	1.23
18	A'	386	373	3.98
19	A'	89	86	0.03
20	A"	3216	3104	11.37
21	A"	3090	2982	14.41
22	A"	3037	2930	47.02
23	A"	1459	1408	1.91
24	A"	1282	1237	0.46
25	A"	1242	1198	0.01
26	A"	1221	1178	0.61
27	A"	1188	1146	1.54
28	A"	1043	1006	0.10
29	A"	929	897	0.42
30	A"	909	877	1.53
31	A"	810	782	0.06
32	A"	639	617	0.06
33	A"	354	342	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.154	-0.425	1.095
C2	0.154	-0.425	-1.095
C3	0.000	0.624	0.000
C4	-0.023	-1.522	0.000
C5	-0.288	1.916	0.000
H6	-0.575	-0.403	1.909
H7	-0.575	-0.403	-1.909
H8	1.157	-0.430	1.536
H9	1.157	-0.430	-1.536
H10	-0.413	2.472	0.924
H11	-0.413	2.472	-0.924
H12	0.703	-2.337	0.000
H13	-1.028	-1.949	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1892	1.5233	1.5602	2.6212	1.0937	3.0912	1.0960	2.8154	2.9560	3.5757	2.2712	2.2183
C2	2.1892		1.5233	1.5602	2.6212	3.0912	1.0937	2.8154	1.0960	3.5757	2.9560	2.2712	2.2183
C3	1.5233	1.5233		2.1457	1.3239	2.2427	2.2427	2.1929	2.1929	2.1072	2.1072	3.0432	2.7705
C4	1.5602	1.5602	2.1457		3.4481	2.2810	2.2810	2.2237	2.2237	4.1177	4.1177	1.0917	1.0924
C5	2.6212	2.6212	1.3239	3.4481		3.0173	3.0173	3.1544	3.1544	1.0859	1.0859	4.3670	3.9352
H6	1.0937	3.0912	2.2427	2.2810	3.0173		3.8185	1.7725	3.8564	3.0427	4.0396	3.0036	2.4983
H7	3.0912	1.0937	2.2427	2.2810	3.0173	3.8185		3.8564	1.7725	4.0396	3.0427	3.0036	2.4983
H8	1.0960	2.8154	2.1929	2.2237	3.1544	1.7725	3.8564		3.0719	3.3555	4.1157	2.4906	3.0732
H9	2.8154	1.0960	2.1929	2.2237	3.1544	3.8564	1.7725	3.0719		4.1157	3.3555	2.4906	3.0732
H10	2.9560	3.5757	2.1072	4.1177	1.0859	3.0427	4.0396	3.3555	4.1157		1.8488	5.0225	4.5579
H11	3.5757	2.9560	2.1072	4.1177	1.0859	4.0396	3.0427	4.1157	3.3555	1.8488		5.0225	4.5579
H12	2.2712	2.2712	3.0432	1.0917	4.3670	3.0036	3.0036	2.4906	2.4906	5.0225	5.0225		1.7748
H13	2.2183	2.2183	2.7705	1.0924	3.9352	2.4983	2.4983	3.0732	3.0732	4.5579	4.5579	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.796	C1	C3	C5	133.955
C1	C4	C2	89.111	C1	C4	H12	116.769
C1	C4	H13	112.272	C2	C3	C5	133.955
C2	C4	H12	116.769	C2	C4	H13	112.272
C3	C1	C4	88.223	C3	C1	H6	116.971
C3	C1	H8	112.607	C3	C2	C4	88.223
C3	C2	H7	116.971	C3	C2	H9	112.607
C3	C5	H10	121.657	C3	C5	H11	121.657
C4	C1	H6	117.421	C4	C1	H8	112.484
C4	C2	H7	117.421	C4	C2	H9	112.484
H6	C1	H8	108.187	H7	C2	H9	108.187
H10	C5	H11	116.685	H12	C4	H13	108.665

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

using model chemistry: G4

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	-0.294
2	C	-0.294
3	C	0.401
4	C	-0.204
5	C	-0.457
6	H	0.109
7	H	0.109
8	H	0.111
9	H	0.111
10	H	0.102
11	H	0.102
12	H	0.099
13	H	0.107

	x	y	z	Total
	0.086	-0.520	0.000	0.527
CHELPG
AIM
ESP

<r²>	116.252
(<r²>)^1/2	10.782

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

using model chemistry: G4

States and conformations

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