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	hartrees
Energy at 0K	-156.982715
Energy at 298.15K	-156.991748
HF Energy	-156.982715
Nuclear repulsion energy	126.414071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3038	2995	0.00
2	A₁	3005	2962	0.00
3	A₁	1501	1479	0.00
4	A₁	1150	1134	0.00
5	A₁	1015	1000	0.00
6	A₁	205	202	0.00
7	A₂	1218	1201	0.00
8	A₂	943	929	0.00
9	B₁	1235	1217	0.00
10	B₁	1138	1122	0.00
11	B₁	941	928	0.00
12	B₂	3068	3025	95.96
13	B₂	2998	2956	9.55
14	B₂	1470	1449	3.96
15	B₂	873	860	0.02
16	B₂	616	608	3.77
17	E	3052	3008	20.19
17	E	3052	3008	20.19
18	E	2999	2956	78.32
18	E	2999	2956	78.32
19	E	1461	1440	0.28
19	E	1461	1440	0.28
20	E	1261	1243	0.84
20	E	1261	1243	0.84
21	E	1225	1207	0.54
21	E	1225	1207	0.54
22	E	911	898	2.45
22	E	911	898	2.45
23	E	742	731	0.69
23	E	742	731	0.69

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	1.398	1.192
H6	0.000	1.986	-0.499
H7	0.000	-1.398	1.192
H8	0.000	-1.986	-0.499
H9	-1.398	0.000	-1.192
H10	-1.986	0.000	0.499
H11	1.398	0.000	-1.192
H12	1.986	0.000	0.499

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1659	1.5547	1.5547	1.1039	1.1032	2.6974	3.1339	2.2103	2.2916	2.2103	2.2916
C2	2.1659		1.5547	1.5547	2.6974	3.1339	1.1039	1.1032	2.2103	2.2916	2.2103	2.2916
C3	1.5547	1.5547		2.1659	2.2103	2.2916	2.2103	2.2916	1.1039	1.1032	2.6974	3.1339
C4	1.5547	1.5547	2.1659		2.2103	2.2916	2.2103	2.2916	2.6974	3.1339	1.1039	1.1032
H5	1.1039	2.6974	2.2103	2.2103		1.7903	2.7968	3.7836	3.0971	2.5259	3.0971	2.5259
H6	1.1032	3.1339	2.2916	2.2916	1.7903		3.7836	3.9726	2.5259	2.9813	2.5259	2.9813
H7	2.6974	1.1039	2.2103	2.2103	2.7968	3.7836		1.7903	3.0971	2.5259	3.0971	2.5259
H8	3.1339	1.1032	2.2916	2.2916	3.7836	3.9726	1.7903		2.5259	2.9813	2.5259	2.9813
H9	2.2103	2.2103	1.1039	2.6974	3.0971	2.5259	3.0971	2.5259		1.7903	2.7968	3.7836
H10	2.2916	2.2916	1.1032	3.1339	2.5259	2.9813	2.5259	2.9813	1.7903		3.7836	3.9726
H11	2.2103	2.2103	2.6974	1.1039	3.0971	2.5259	3.0971	2.5259	2.7968	3.7836		1.7903
H12	2.2916	2.2916	3.1339	1.1032	2.5259	2.9813	2.5259	2.9813	3.7836	3.9726	1.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.301	C1	C3	H9	111.351
C1	C3	H10	118.134	C1	C4	C2	88.301
C1	C4	H11	111.351	C1	C4	H12	118.134
C2	C3	H9	111.351	C2	C3	H10	118.134
C2	C4	H11	111.351	C2	C4	H12	118.134
C3	C1	C4	88.301	C3	C1	H5	111.351
C3	C1	H6	118.134	C3	C2	C4	88.301
C3	C2	H7	111.351	C3	C2	H8	118.134
C4	C1	H5	111.351	C4	C1	H6	118.134
C4	C2	H7	111.351	C4	C2	H8	118.134
H5	C1	H6	108.423	H7	C2	H8	108.423
H9	C3	H10	108.423	H11	C4	H12	108.423

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: PBEPBE/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>	75.354
(<r²>)^1/2	8.681

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)