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	hartrees
Energy at 0K	-157.040515
Energy at 298.15K	-157.035323
HF Energy	-156.097201
Nuclear repulsion energy	127.533950

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.071	0.148
C2	0.000	-1.071	0.148
C3	-1.071	0.000	-0.148
C4	1.071	0.000	-0.148
H5	0.000	1.344	1.207
H6	0.000	1.987	-0.451
H7	0.000	-1.344	1.207
H8	0.000	-1.987	-0.451
H9	-1.344	0.000	-1.207
H10	-1.987	0.000	0.451
H11	1.344	0.000	-1.207
H12	1.987	0.000	0.451

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1424	1.5434	1.5434	1.0942	1.0935	2.6371	3.1158	2.1883	2.2772	2.1883	2.2772
C2	2.1424		1.5434	1.5434	2.6371	3.1158	1.0942	1.0935	2.1883	2.2772	2.1883	2.2772
C3	1.5434	1.5434		2.1424	2.1883	2.2772	2.1883	2.2772	1.0942	1.0935	2.6371	3.1158
C4	1.5434	1.5434	2.1424		2.1883	2.2772	2.1883	2.2772	2.6371	3.1158	1.0942	1.0935
H5	1.0942	2.6371	2.1883	2.1883		1.7782	2.6871	3.7200	3.0726	2.5148	3.0726	2.5148
H6	1.0935	3.1158	2.2772	2.2772	1.7782		3.7200	3.9732	2.5148	2.9505	2.5148	2.9505
H7	2.6371	1.0942	2.1883	2.1883	2.6871	3.7200		1.7782	3.0726	2.5148	3.0726	2.5148
H8	3.1158	1.0935	2.2772	2.2772	3.7200	3.9732	1.7782		2.5148	2.9505	2.5148	2.9505
H9	2.1883	2.1883	1.0942	2.6371	3.0726	2.5148	3.0726	2.5148		1.7782	2.6871	3.7200
H10	2.2772	2.2772	1.0935	3.1158	2.5148	2.9505	2.5148	2.9505	1.7782		3.7200	3.9732
H11	2.1883	2.1883	2.6371	1.0942	3.0726	2.5148	3.0726	2.5148	2.6871	3.7200		1.7782
H12	2.2772	2.2772	3.1158	1.0935	2.5148	2.9505	2.5148	2.9505	3.7200	3.9732	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.531	C1	C3	H9	111.686
C1	C3	H10	117.697	C1	C4	C2	88.531
C1	C4	H11	111.686	C1	C4	H12	117.697
C2	C3	H9	111.686	C2	C3	H10	117.697
C2	C4	H11	111.686	C2	C4	H12	117.697
C3	C1	C4	88.531	C3	C1	H5	111.686
C3	C1	H6	117.697	C3	C2	C4	88.531
C3	C2	H7	111.686	C3	C2	H8	117.697
C4	C1	H5	111.686	C4	C1	H6	117.697
C4	C2	H7	111.686	C4	C2	H8	117.697
H5	C1	H6	108.465	H7	C2	H8	108.465
H9	C3	H10	108.465	H11	C4	H12	108.465

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)