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	hartrees
Energy at 0K	-156.988304
Energy at 298.15K	-156.997460
HF Energy	-156.988304
Nuclear repulsion energy	126.645378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3007	0.00
2	A₁	3103	2968	0.00
3	A₁	1558	1491	0.00
4	A₁	1208	1155	0.00
5	A₁	1039	994	0.00
6	A₁	178	170	0.00
7	A₂	1310	1253	0.00
8	A₂	997	953	0.00
9	B₁	1287	1231	0.00
10	B₁	1197	1145	0.00
11	B₁	984	941	0.00
12	B₂	3176	3038	95.70
13	B₂	3093	2959	9.86
14	B₂	1534	1467	4.63
15	B₂	902	863	0.27
16	B₂	657	629	4.53
17	E	3157	3020	16.41
17	E	3157	3020	16.41
18	E	3094	2960	73.02
18	E	3094	2960	73.02
19	E	1527	1461	3.58
19	E	1527	1461	3.58
20	E	1322	1264	3.35
20	E	1322	1264	3.35
21	E	1274	1219	0.70
21	E	1274	1219	0.70
22	E	943	902	4.65
22	E	943	902	4.65
23	E	782	748	0.41
23	E	782	748	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.086	0.118
C2	0.000	-1.086	0.118
C3	-1.086	0.000	-0.118
C4	1.086	0.000	-0.118
H5	0.000	1.443	1.153
H6	0.000	1.953	-0.548
H7	0.000	-1.443	1.153
H8	0.000	-1.953	-0.548
H9	-1.443	0.000	-1.153
H10	-1.953	0.000	0.548
H11	1.443	0.000	-1.153
H12	1.953	0.000	0.548

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1727	1.5543	1.5543	1.0950	1.0932	2.7331	3.1118	2.2084	2.2762	2.2084	2.2762
C2	2.1727		1.5543	1.5543	2.7331	3.1118	1.0950	1.0932	2.2084	2.2762	2.2084	2.2762
C3	1.5543	1.5543		2.1727	2.2084	2.2762	2.2084	2.2762	1.0950	1.0932	2.7331	3.1118
C4	1.5543	1.5543	2.1727		2.2084	2.2762	2.2084	2.2762	2.7331	3.1118	1.0950	1.0932
H5	1.0950	2.7331	2.2084	2.2084		1.7761	2.8861	3.7987	3.0792	2.5027	3.0792	2.5027
H6	1.0932	3.1118	2.2762	2.2762	1.7761		3.7987	3.9067	2.5027	2.9721	2.5027	2.9721
H7	2.7331	1.0950	2.2084	2.2084	2.8861	3.7987		1.7761	3.0792	2.5027	3.0792	2.5027
H8	3.1118	1.0932	2.2762	2.2762	3.7987	3.9067	1.7761		2.5027	2.9721	2.5027	2.9721
H9	2.2084	2.2084	1.0950	2.7331	3.0792	2.5027	3.0792	2.5027		1.7761	2.8861	3.7987
H10	2.2762	2.2762	1.0932	3.1118	2.5027	2.9721	2.5027	2.9721	1.7761		3.7987	3.9067
H11	2.2084	2.2084	2.7331	1.0950	3.0792	2.5027	3.0792	2.5027	2.8861	3.7987		1.7761
H12	2.2762	2.2762	3.1118	1.0932	2.5027	2.9721	2.5027	2.9721	3.7987	3.9067	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.686	C1	C3	H9	111.769
C1	C3	H10	117.519	C1	C4	C2	88.686
C1	C4	H11	111.769	C1	C4	H12	117.519
C2	C3	H9	111.769	C2	C3	H10	117.519
C2	C4	H11	111.769	C2	C4	H12	117.519
C3	C1	C4	88.686	C3	C1	H5	111.769
C3	C1	H6	117.519	C3	C2	C4	88.686
C3	C2	H7	111.769	C3	C2	H8	117.519
C4	C1	H5	111.769	C4	C1	H6	117.519
C4	C2	H7	111.769	C4	C2	H8	117.519
H5	C1	H6	108.518	H7	C2	H8	108.518
H9	C3	H10	108.518	H11	C4	H12	108.518

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: HSEh1PBE/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	-0.321
2	C	-0.321
3	C	-0.321
4	C	-0.321
5	H	0.164
6	H	0.157
7	H	0.164
8	H	0.157
9	H	0.164
10	H	0.157
11	H	0.164
12	H	0.157

<r²>	75.291
(<r²>)^1/2	8.677

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)