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	hartrees
Energy at 0K	-156.928890
Energy at 298.15K	-156.938106
HF Energy	-156.150989
Nuclear repulsion energy	128.015154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	2996	0.00
2	A₁	3103	2952	0.00
3	A₁	1543	1468	0.00
4	A₁	1186	1128	0.00
5	A₁	1052	1001	0.00
6	A₁	239	227	0.00
7	A₂	1258	1197	0.00
8	A₂	979	931	0.00
9	B₁	1270	1208	0.00
10	B₁	1186	1128	0.00
11	B₁	963	916	0.00
12	B₂	3174	3020	62.77
13	B₂	3099	2948	15.13
14	B₂	1513	1439	5.14
15	B₂	913	869	0.02
16	B₂	615	585	2.08
17	E	3159	3006	23.77
17	E	3159	3006	23.77
18	E	3099	2949	55.47
18	E	3099	2949	55.47
19	E	1503	1430	1.35
19	E	1503	1430	1.35
20	E	1292	1229	2.09
20	E	1292	1229	2.09
21	E	1274	1212	0.64
21	E	1274	1212	0.64
22	E	933	888	2.64
22	E	933	888	2.64
23	E	765	727	0.36
23	E	765	727	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.069	0.147
C2	0.000	-1.069	0.147
C3	-1.069	0.000	-0.147
C4	1.069	0.000	-0.147
H5	0.000	1.329	1.203
H6	0.000	1.977	-0.448
H7	0.000	-1.329	1.203
H8	0.000	-1.977	-0.448
H9	-1.329	0.000	-1.203
H10	-1.977	0.000	0.448
H11	1.329	0.000	-1.203
H12	1.977	0.000	0.448

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1382	1.5404	1.5404	1.0877	1.0856	2.6207	3.1037	2.1761	2.2676	2.1761	2.2676
C2	2.1382		1.5404	1.5404	2.6207	3.1037	1.0877	1.0856	2.1761	2.2676	2.1761	2.2676
C3	1.5404	1.5404		2.1382	2.1761	2.2676	2.1761	2.2676	1.0877	1.0856	2.6207	3.1037
C4	1.5404	1.5404	2.1382		2.1761	2.2676	2.1761	2.2676	2.6207	3.1037	1.0877	1.0856
H5	1.0877	2.6207	2.1761	2.1761		1.7736	2.6589	3.6958	3.0542	2.4995	3.0542	2.4995
H6	1.0856	3.1037	2.2676	2.2676	1.7736		3.6958	3.9541	2.4995	2.9358	2.4995	2.9358
H7	2.6207	1.0877	2.1761	2.1761	2.6589	3.6958		1.7736	3.0542	2.4995	3.0542	2.4995
H8	3.1037	1.0856	2.2676	2.2676	3.6958	3.9541	1.7736		2.4995	2.9358	2.4995	2.9358
H9	2.1761	2.1761	1.0877	2.6207	3.0542	2.4995	3.0542	2.4995		1.7736	2.6589	3.6958
H10	2.2676	2.2676	1.0856	3.1037	2.4995	2.9358	2.4995	2.9358	1.7736		3.6958	3.9541
H11	2.1761	2.1761	2.6207	1.0877	3.0542	2.4995	3.0542	2.4995	2.6589	3.6958		1.7736
H12	2.2676	2.2676	3.1037	1.0856	2.4995	2.9358	2.4995	2.9358	3.6958	3.9541	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	87.901	C1	C3	H9	110.607
C1	C3	H10	118.396	C1	C4	C2	87.901
C1	C4	H11	110.607	C1	C4	H12	118.396
C2	C3	H9	110.607	C2	C3	H10	118.396
C2	C4	H11	110.607	C2	C4	H12	118.396
C3	C1	C4	87.901	C3	C1	H5	110.607
C3	C1	H6	118.396	C3	C2	C4	87.901
C3	C2	H7	110.607	C3	C2	H8	118.396
C4	C1	H5	110.607	C4	C1	H6	118.396
C4	C2	H7	110.607	C4	C2	H8	118.396
H5	C1	H6	109.391	H7	C2	H8	109.391
H9	C3	H10	109.391	H11	C4	H12	109.391

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)