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	hartrees
Energy at 0K	-156.788388
Energy at 298.15K
HF Energy	-156.111319
Nuclear repulsion energy	126.003784

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.087	0.145
C2	0.000	-1.087	0.145
C3	-1.087	0.000	-0.145
C4	1.087	0.000	-0.145
H5	0.000	1.367	1.214
H6	0.000	2.002	-0.470
H7	0.000	-1.367	1.214
H8	0.000	-2.002	-0.470
H9	-1.367	0.000	-1.214
H10	-2.002	0.000	0.470
H11	1.367	0.000	-1.214
H12	2.002	0.000	0.470

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1736	1.5641	1.5641	1.1046	1.1028	2.6765	3.1497	2.2129	2.3012	2.2129	2.3012
C2	2.1736		1.5641	1.5641	2.6765	3.1497	1.1046	1.1028	2.2129	2.3012	2.2129	2.3012
C3	1.5641	1.5641		2.1736	2.2129	2.3012	2.2129	2.3012	1.1046	1.1028	2.6765	3.1497
C4	1.5641	1.5641	2.1736		2.2129	2.3012	2.2129	2.3012	2.6765	3.1497	1.1046	1.1028
H5	1.1046	2.6765	2.2129	2.2129		1.7991	2.7345	3.7666	3.1032	2.5361	3.1032	2.5361
H6	1.1028	3.1497	2.3012	2.3012	1.7991		3.7666	4.0045	2.5361	2.9834	2.5361	2.9834
H7	2.6765	1.1046	2.2129	2.2129	2.7345	3.7666		1.7991	3.1032	2.5361	3.1032	2.5361
H8	3.1497	1.1028	2.3012	2.3012	3.7666	4.0045	1.7991		2.5361	2.9834	2.5361	2.9834
H9	2.2129	2.2129	1.1046	2.6765	3.1032	2.5361	3.1032	2.5361		1.7991	2.7345	3.7666
H10	2.3012	2.3012	1.1028	3.1497	2.5361	2.9834	2.5361	2.9834	1.7991		3.7666	4.0045
H11	2.2129	2.2129	2.6765	1.1046	3.1032	2.5361	3.1032	2.5361	2.7345	3.7666		1.7991
H12	2.3012	2.3012	3.1497	1.1028	2.5361	2.9834	2.5361	2.9834	3.7666	4.0045	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.025	C1	C3	H9	110.854
C1	C3	H10	118.246	C1	C4	C2	88.025
C1	C4	H11	110.854	C1	C4	H12	118.246
C2	C3	H9	110.854	C2	C3	H10	118.246
C2	C4	H11	110.854	C2	C4	H12	118.246
C3	C1	C4	88.025	C3	C1	H5	110.854
C3	C1	H6	118.246	C3	C2	C4	88.025
C3	C2	H7	110.854	C3	C2	H8	118.246
C4	C1	H5	110.854	C4	C1	H6	118.246
C4	C2	H7	110.854	C4	C2	H8	118.246
H5	C1	H6	109.179	H7	C2	H8	109.179
H9	C3	H10	109.179	H11	C4	H12	109.179

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: QCISD(T)=FULL/aug-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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)