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	hartrees
Energy at 0K	-156.982712
Energy at 298.15K	-156.991736
HF Energy	-156.982712
Nuclear repulsion energy	126.420215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3037	2987	0.00
2	A₁	3004	2954	0.00
3	A₁	1500	1475	0.00
4	A₁	1149	1130	0.00
5	A₁	1015	998	0.00
6	A₁	199	196	0.00
7	A₂	1219	1199	0.00
8	A₂	942	927	0.00
9	B₁	1234	1214	0.00
10	B₁	1140	1121	0.00
11	B₁	941	925	0.00
12	B₂	3067	3016	95.93
13	B₂	2997	2948	9.64
14	B₂	1469	1445	4.00
15	B₂	873	858	0.02
16	B₂	614	604	3.75
17	E	3051	3000	20.31
17	E	3051	3000	20.31
18	E	2997	2948	78.20
18	E	2997	2948	78.20
19	E	1460	1436	0.27
19	E	1460	1436	0.27
20	E	1261	1240	0.89
20	E	1261	1240	0.89
21	E	1226	1205	0.51
21	E	1226	1205	0.51
22	E	911	896	2.45
22	E	911	896	2.45
23	E	741	729	0.70
23	E	741	729	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.083	0.134
C2	0.000	-1.083	0.134
C3	-1.083	0.000	-0.134
C4	1.083	0.000	-0.134
H5	0.000	1.397	1.193
H6	0.000	1.987	-0.498
H7	0.000	-1.397	1.193
H8	0.000	-1.987	-0.498
H9	-1.397	0.000	-1.193
H10	-1.987	0.000	0.498
H11	1.397	0.000	-1.193
H12	1.987	0.000	0.498

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1656	1.5547	1.5547	1.1039	1.1032	2.6961	3.1341	2.2101	2.2918	2.2101	2.2918
C2	2.1656		1.5547	1.5547	2.6961	3.1341	1.1039	1.1032	2.2101	2.2918	2.2101	2.2918
C3	1.5547	1.5547		2.1656	2.2101	2.2918	2.2101	2.2918	1.1039	1.1032	2.6961	3.1341
C4	1.5547	1.5547	2.1656		2.2101	2.2918	2.2101	2.2918	2.6961	3.1341	1.1039	1.1032
H5	1.1039	2.6961	2.2101	2.2101		1.7905	2.7938	3.7825	3.0971	2.5262	3.0971	2.5262
H6	1.1032	3.1341	2.2918	2.2918	1.7905		3.7825	3.9737	2.5262	2.9810	2.5262	2.9810
H7	2.6961	1.1039	2.2101	2.2101	2.7938	3.7825		1.7905	3.0971	2.5262	3.0971	2.5262
H8	3.1341	1.1032	2.2918	2.2918	3.7825	3.9737	1.7905		2.5262	2.9810	2.5262	2.9810
H9	2.2101	2.2101	1.1039	2.6961	3.0971	2.5262	3.0971	2.5262		1.7905	2.7938	3.7825
H10	2.2918	2.2918	1.1032	3.1341	2.5262	2.9810	2.5262	2.9810	1.7905		3.7825	3.9737
H11	2.2101	2.2101	2.6961	1.1039	3.0971	2.5262	3.0971	2.5262	2.7938	3.7825		1.7905
H12	2.2918	2.2918	3.1341	1.1032	2.5262	2.9810	2.5262	2.9810	3.7825	3.9737	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.288	C1	C3	H9	111.338
C1	C3	H10	118.146	C1	C4	C2	88.288
C1	C4	H11	111.338	C1	C4	H12	118.146
C2	C3	H9	111.338	C2	C3	H10	118.146
C2	C4	H11	111.338	C2	C4	H12	118.146
C3	C1	C4	88.288	C3	C1	H5	111.338
C3	C1	H6	118.146	C3	C2	C4	88.288
C3	C2	H7	111.338	C3	C2	H8	118.146
C4	C1	H5	111.338	C4	C1	H6	118.146
C4	C2	H7	111.338	C4	C2	H8	118.146
H5	C1	H6	108.432	H7	C2	H8	108.432
H9	C3	H10	108.432	H11	C4	H12	108.432

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	-0.298
2	C	-0.298
3	C	-0.298
4	C	-0.298
5	H	0.151
6	H	0.147
7	H	0.151
8	H	0.147
9	H	0.151
10	H	0.147
11	H	0.151
12	H	0.147

<r²>	75.345
(<r²>)^1/2	8.680

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)