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	hartrees
Energy at 0K	-156.900981
Energy at 298.15K	-156.910160
HF Energy	-156.779677
Nuclear repulsion energy	126.082758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3134	0.00
2	A₁	3096	3096	0.00
3	A₁	1576	1576	0.00
4	A₁	1221	1221	0.00
5	A₁	1018	1018	0.00
6	A₁	196	196	0.00
7	A₂	1317	1317	0.00
8	A₂	994	994	0.00
9	B₁	1297	1297	0.00
10	B₁	1203	1203	0.00
11	B₁	956	956	0.00
12	B₂	3165	3165	108.53
13	B₂	3087	3087	11.06
14	B₂	1556	1556	3.72
15	B₂	915	915	0.05
16	B₂	661	661	3.29
17	E	3146	3146	18.71
17	E	3146	3146	18.71
18	E	3088	3088	73.83
18	E	3088	3088	73.83
19	E	1548	1548	1.43
19	E	1548	1548	1.43
20	E	1331	1331	1.29
20	E	1331	1331	1.29
21	E	1278	1278	0.43
21	E	1278	1278	0.43
22	E	923	923	3.69
22	E	923	923	3.69
23	E	784	784	0.24
23	E	784	784	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.093	0.122
C2	0.000	-1.093	0.122
C3	-1.093	0.000	-0.122
C4	1.093	0.000	-0.122
H5	0.000	1.440	1.160
H6	0.000	1.965	-0.537
H7	0.000	-1.440	1.160
H8	0.000	-1.965	-0.537
H9	-1.440	0.000	-1.160
H10	-1.965	0.000	0.537
H11	1.440	0.000	-1.160
H12	1.965	0.000	0.537

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1858	1.5647	1.5647	1.0948	1.0932	2.7374	3.1281	2.2163	2.2864	2.2163	2.2864
C2	2.1858		1.5647	1.5647	2.7374	3.1281	1.0948	1.0932	2.2163	2.2864	2.2163	2.2864
C3	1.5647	1.5647		2.1858	2.2163	2.2864	2.2163	2.2864	1.0948	1.0932	2.7374	3.1281
C4	1.5647	1.5647	2.1858		2.2163	2.2864	2.2163	2.2864	2.7374	3.1281	1.0948	1.0932
H5	1.0948	2.7374	2.2163	2.2163		1.7770	2.8798	3.8046	3.0875	2.5144	3.0875	2.5144
H6	1.0932	3.1281	2.2864	2.2864	1.7770		3.8046	3.9298	2.5144	2.9793	2.5144	2.9793
H7	2.7374	1.0948	2.2163	2.2163	2.8798	3.8046		1.7770	3.0875	2.5144	3.0875	2.5144
H8	3.1281	1.0932	2.2864	2.2864	3.8046	3.9298	1.7770		2.5144	2.9793	2.5144	2.9793
H9	2.2163	2.2163	1.0948	2.7374	3.0875	2.5144	3.0875	2.5144		1.7770	2.8798	3.8046
H10	2.2864	2.2864	1.0932	3.1281	2.5144	2.9793	2.5144	2.9793	1.7770		3.8046	3.9298
H11	2.2163	2.2163	2.7374	1.0948	3.0875	2.5144	3.0875	2.5144	2.8798	3.8046		1.7770
H12	2.2864	2.2864	3.1281	1.0932	2.5144	2.9793	2.5144	2.9793	3.8046	3.9298	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.607	C1	C3	H9	111.670
C1	C3	H10	117.588	C1	C4	C2	88.607
C1	C4	H11	111.670	C1	C4	H12	117.588
C2	C3	H9	111.670	C2	C3	H10	117.588
C2	C4	H11	111.670	C2	C4	H12	117.588
C3	C1	C4	88.607	C3	C1	H5	111.670
C3	C1	H6	117.588	C3	C2	C4	88.607
C3	C2	H7	111.670	C3	C2	H8	117.588
C4	C1	H5	111.670	C4	C1	H6	117.588
C4	C2	H7	111.670	C4	C2	H8	117.588
H5	C1	H6	108.613	H7	C2	H8	108.613
H9	C3	H10	108.613	H11	C4	H12	108.613

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B2PLYP/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	-0.266
2	C	-0.266
3	C	-0.266
4	C	-0.266
5	H	0.136
6	H	0.130
7	H	0.136
8	H	0.130
9	H	0.136
10	H	0.130
11	H	0.136
12	H	0.130

<r²>	76.113
(<r²>)^1/2	8.724

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)