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	hartrees
Energy at 0K	-156.726544
Energy at 298.15K	-156.735737
HF Energy	-156.106182
Nuclear repulsion energy	126.379219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	3003	0.00
2	A₁	3096	2962	0.00
3	A₁	1527	1461	0.00
4	A₁	1185	1134	0.00
5	A₁	1047	1002	0.00
6	A₁	231	221	0.00
7	A₂	1261	1206	0.00
8	A₂	964	922	0.00
9	B₁	1275	1220	0.00
10	B₁	1177	1126	0.00
11	B₁	962	921	0.00
12	B₂	3165	3028	86.26
13	B₂	3086	2952	15.71
14	B₂	1487	1422	4.05
15	B₂	916	877	0.08
16	B₂	628	601	1.94
17	E	3150	3013	22.04
17	E	3150	3013	22.04
18	E	3088	2954	63.59
18	E	3088	2954	63.59
19	E	1482	1418	0.28
19	E	1482	1418	0.28
20	E	1309	1252	0.43
20	E	1309	1252	0.43
21	E	1257	1202	0.11
21	E	1257	1202	0.11
22	E	933	892	1.84
22	E	933	892	1.84
23	E	760	727	0.20
23	E	760	727	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.082	0.144
C2	0.000	-1.082	0.144
C3	-1.082	0.000	-0.144
C4	1.082	0.000	-0.144
H5	0.000	1.366	1.212
H6	0.000	1.999	-0.469
H7	0.000	-1.366	1.212
H8	0.000	-1.999	-0.469
H9	-1.366	0.000	-1.212
H10	-1.999	0.000	0.469
H11	1.366	0.000	-1.212
H12	1.999	0.000	0.469

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1638	1.5570	1.5570	1.1048	1.1032	2.6709	3.1413	2.2082	2.2961	2.2082	2.2961
C2	2.1638		1.5570	1.5570	2.6709	3.1413	1.1048	1.1032	2.2082	2.2961	2.2082	2.2961
C3	1.5570	1.5570		2.1638	2.2082	2.2961	2.2082	2.2961	1.1048	1.1032	2.6709	3.1413
C4	1.5570	1.5570	2.1638		2.2082	2.2961	2.2082	2.2961	2.6709	3.1413	1.1048	1.1032
H5	1.1048	2.6709	2.2082	2.2082		1.7959	2.7327	3.7617	3.0996	2.5327	3.0996	2.5327
H6	1.1032	3.1413	2.2961	2.2961	1.7959		3.7617	3.9980	2.5327	2.9786	2.5327	2.9786
H7	2.6709	1.1048	2.2082	2.2082	2.7327	3.7617		1.7959	3.0996	2.5327	3.0996	2.5327
H8	3.1413	1.1032	2.2961	2.2961	3.7617	3.9980	1.7959		2.5327	2.9786	2.5327	2.9786
H9	2.2082	2.2082	1.1048	2.6709	3.0996	2.5327	3.0996	2.5327		1.7959	2.7327	3.7617
H10	2.2961	2.2961	1.1032	3.1413	2.5327	2.9786	2.5327	2.9786	1.7959		3.7617	3.9980
H11	2.2082	2.2082	2.6709	1.1048	3.0996	2.5327	3.0996	2.5327	2.7327	3.7617		1.7959
H12	2.2961	2.2961	3.1413	1.1032	2.5327	2.9786	2.5327	2.9786	3.7617	3.9980	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.033	C1	C3	H9	110.973
C1	C3	H10	118.336	C1	C4	C2	88.033
C1	C4	H11	110.973	C1	C4	H12	118.336
C2	C3	H9	110.973	C2	C3	H10	118.336
C2	C4	H11	110.973	C2	C4	H12	118.336
C3	C1	C4	88.033	C3	C1	H5	110.973
C3	C1	H6	118.336	C3	C2	C4	88.033
C3	C2	H7	110.973	C3	C2	H8	118.336
C4	C1	H5	110.973	C4	C1	H6	118.336
C4	C2	H7	110.973	C4	C2	H8	118.336
H5	C1	H6	108.850	H7	C2	H8	108.850
H9	C3	H10	108.850	H11	C4	H12	108.850

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)