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	hartrees
Energy at 0K	-156.393587
Energy at 298.15K	-156.402776
HF Energy	-156.043714
Nuclear repulsion energy	124.536144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	3010	0.00
2	A₁	3067	2960	0.00
3	A₁	1541	1487	0.00
4	A₁	1239	1196	0.00
5	A₁	997	963	0.00
6	A₁	232	224	0.00
7	A₂	1299	1254	0.00
8	A₂	968	935	0.00
9	B₁	1284	1240	0.00
10	B₁	1176	1135	0.00
11	B₁	940	907	0.00
12	B₂	3150	3041	129.55
13	B₂	3053	2947	16.17
14	B₂	1525	1472	6.04
15	B₂	925	893	0.79
16	B₂	651	628	4.05
17	E	3131	3022	18.06
17	E	3131	3022	18.06
18	E	3057	2951	91.02
18	E	3057	2951	91.02
19	E	1523	1470	1.69
19	E	1523	1470	1.69
20	E	1321	1275	3.04
20	E	1321	1275	3.04
21	E	1248	1205	1.03
21	E	1248	1205	1.03
22	E	908	877	7.63
22	E	908	877	7.63
23	E	786	759	0.17
23	E	786	759	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.106	0.141
C2	0.000	-1.106	0.141
C3	-1.106	0.000	-0.141
C4	1.106	0.000	-0.141
H5	0.000	1.405	1.205
H6	0.000	2.007	-0.496
H7	0.000	-1.405	1.205
H8	0.000	-2.007	-0.496
H9	-1.405	0.000	-1.205
H10	-2.007	0.000	0.496
H11	1.405	0.000	-1.205
H12	2.007	0.000	0.496

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2120	1.5895	1.5895	1.1047	1.1038	2.7267	3.1776	2.2382	2.3188	2.2382	2.3188
C2	2.2120		1.5895	1.5895	2.7267	3.1776	1.1047	1.1038	2.2382	2.3188	2.2382	2.3188
C3	1.5895	1.5895		2.2120	2.2382	2.3188	2.2382	2.3188	1.1047	1.1038	2.7267	3.1776
C4	1.5895	1.5895	2.2120		2.2382	2.3188	2.2382	2.3188	2.7267	3.1776	1.1047	1.1038
H5	1.1047	2.7267	2.2382	2.2382		1.8044	2.8097	3.8124	3.1233	2.5504	3.1233	2.5504
H6	1.1038	3.1776	2.3188	2.3188	1.8044		3.8124	4.0140	2.5504	3.0067	2.5504	3.0067
H7	2.7267	1.1047	2.2382	2.2382	2.8097	3.8124		1.8044	3.1233	2.5504	3.1233	2.5504
H8	3.1776	1.1038	2.3188	2.3188	3.8124	4.0140	1.8044		2.5504	3.0067	2.5504	3.0067
H9	2.2382	2.2382	1.1047	2.7267	3.1233	2.5504	3.1233	2.5504		1.8044	2.8097	3.8124
H10	2.3188	2.3188	1.1038	3.1776	2.5504	3.0067	2.5504	3.0067	1.8044		3.8124	4.0140
H11	2.2382	2.2382	2.7267	1.1047	3.1233	2.5504	3.1233	2.5504	2.8097	3.8124		1.8044
H12	2.3188	2.3188	3.1776	1.1038	2.5504	3.0067	2.5504	3.0067	3.8124	4.0140	1.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.184	C1	C3	H9	111.077
C1	C3	H10	117.723	C1	C4	C2	88.184
C1	C4	H11	111.077	C1	C4	H12	117.723
C2	C3	H9	111.077	C2	C3	H10	117.723
C2	C4	H11	111.077	C2	C4	H12	117.723
C3	C1	C4	88.184	C3	C1	H5	111.077
C3	C1	H6	117.723	C3	C2	C4	88.184
C3	C2	H7	111.077	C3	C2	H8	117.723
C4	C1	H5	111.077	C4	C1	H6	117.723
C4	C2	H7	111.077	C4	C2	H8	117.723
H5	C1	H6	109.584	H7	C2	H8	109.584
H9	C3	H10	109.584	H11	C4	H12	109.584

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: MP2/SDD

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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All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)