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	hartrees
Energy at 0K	-155.590030
Energy at 298.15K	-155.599238
HF Energy	-155.230555
Nuclear repulsion energy	125.600870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	2981	0.00
2	A₁	3152	2946	0.00
3	A₁	1613	1508	0.00
4	A₁	1222	1142	0.00
5	A₁	996	931	0.00
6	A₁	215	201	0.00
7	A₂	1336	1248	0.00
8	A₂	1033	965	0.00
9	B₁	1329	1242	0.00
10	B₁	1222	1142	0.00
11	B₁	924	864	0.00
12	B₂	3219	3008	68.66
13	B₂	3141	2935	9.47
14	B₂	1588	1484	5.00
15	B₂	947	885	0.03
16	B₂	657	614	3.10
17	E	3202	2992	15.14
17	E	3202	2992	15.14
18	E	3143	2937	50.83
18	E	3143	2937	50.83
19	E	1582	1478	1.78
19	E	1582	1478	1.78
20	E	1358	1268	2.95
20	E	1358	1268	2.95
21	E	1301	1215	1.22
21	E	1301	1215	1.22
22	E	901	842	3.66
22	E	901	842	3.66
23	E	779	728	0.21
23	E	779	728	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.100	0.133
C2	0.000	-1.100	0.133
C3	-1.100	0.000	-0.133
C4	1.100	0.000	-0.133
H5	0.000	1.402	1.182
H6	0.000	1.980	-0.509
H7	0.000	-1.402	1.182
H8	0.000	-1.980	-0.509
H9	-1.402	0.000	-1.182
H10	-1.980	0.000	0.509
H11	1.402	0.000	-1.182
H12	1.980	0.000	0.509

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.2006	1.5787	1.5787	1.0913	1.0890	2.7129	3.1462	2.2148	2.2958	2.2148	2.2958
C2	2.2006		1.5787	1.5787	2.7129	3.1462	1.0913	1.0890	2.2148	2.2958	2.2148	2.2958
C3	1.5787	1.5787		2.2006	2.2148	2.2958	2.2148	2.2958	1.0913	1.0890	2.7129	3.1462
C4	1.5787	1.5787	2.2006		2.2148	2.2958	2.2148	2.2958	2.7129	3.1462	1.0913	1.0890
H5	1.0913	2.7129	2.2148	2.2148		1.7873	2.8033	3.7806	3.0851	2.5171	3.0851	2.5171
H6	1.0890	3.1462	2.2958	2.2958	1.7873		3.7806	3.9591	2.5171	2.9790	2.5171	2.9790
H7	2.7129	1.0913	2.2148	2.2148	2.8033	3.7806		1.7873	3.0851	2.5171	3.0851	2.5171
H8	3.1462	1.0890	2.2958	2.2958	3.7806	3.9591	1.7873		2.5171	2.9790	2.5171	2.9790
H9	2.2148	2.2148	1.0913	2.7129	3.0851	2.5171	3.0851	2.5171		1.7873	2.8033	3.7806
H10	2.2958	2.2958	1.0890	3.1462	2.5171	2.9790	2.5171	2.9790	1.7873		3.7806	3.9591
H11	2.2148	2.2148	2.7129	1.0913	3.0851	2.5171	3.0851	2.5171	2.8033	3.7806		1.7873
H12	2.2958	2.2958	3.1462	1.0890	2.5171	2.9790	2.5171	2.9790	3.7806	3.9591	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.368	C1	C3	H9	110.772
C1	C3	H10	117.593	C1	C4	C2	88.368
C1	C4	H11	110.772	C1	C4	H12	117.593
C2	C3	H9	110.772	C2	C3	H10	117.593
C2	C4	H11	110.772	C2	C4	H12	117.593
C3	C1	C4	88.368	C3	C1	H5	110.772
C3	C1	H6	117.593	C3	C2	C4	88.368
C3	C2	H7	110.772	C3	C2	H8	117.593
C4	C1	H5	110.772	C4	C1	H6	117.593
C4	C2	H7	110.772	C4	C2	H8	117.593
H5	C1	H6	110.125	H7	C2	H8	110.125
H9	C3	H10	110.125	H11	C4	H12	110.125

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)