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	hartrees
Energy at 0K	-156.924557
Energy at 298.15K
HF Energy	-156.150554
Nuclear repulsion energy	127.000049

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.080	0.143
C2	0.000	-1.080	0.143
C3	-1.080	0.000	-0.143
C4	1.080	0.000	-0.143
H5	0.000	1.360	1.200
H6	0.000	1.984	-0.467
H7	0.000	-1.360	1.200
H8	0.000	-1.984	-0.467
H9	-1.360	0.000	-1.200
H10	-1.984	0.000	0.467
H11	1.360	0.000	-1.200
H12	1.984	0.000	0.467

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1594	1.5536	1.5536	1.0930	1.0911	2.6586	3.1238	2.1952	2.2817	2.1952	2.2817
C2	2.1594		1.5536	1.5536	2.6586	3.1238	1.0930	1.0911	2.1952	2.2817	2.1952	2.2817
C3	1.5536	1.5536		2.1594	2.1952	2.2817	2.1952	2.2817	1.0930	1.0911	2.6586	3.1238
C4	1.5536	1.5536	2.1594		2.1952	2.2817	2.1952	2.2817	2.6586	3.1238	1.0930	1.0911
H5	1.0930	2.6586	2.1952	2.1952		1.7800	2.7201	3.7364	3.0751	2.5142	3.0751	2.5142
H6	1.0911	3.1238	2.2817	2.2817	1.7800		3.7364	3.9676	2.5142	2.9572	2.5142	2.9572
H7	2.6586	1.0930	2.1952	2.1952	2.7201	3.7364		1.7800	3.0751	2.5142	3.0751	2.5142
H8	3.1238	1.0911	2.2817	2.2817	3.7364	3.9676	1.7800		2.5142	2.9572	2.5142	2.9572
H9	2.1952	2.1952	1.0930	2.6586	3.0751	2.5142	3.0751	2.5142		1.7800	2.7201	3.7364
H10	2.2817	2.2817	1.0911	3.1238	2.5142	2.9572	2.5142	2.9572	1.7800		3.7364	3.9676
H11	2.1952	2.1952	2.6586	1.0930	3.0751	2.5142	3.0751	2.5142	2.7201	3.7364		1.7800
H12	2.2817	2.2817	3.1238	1.0911	2.5142	2.9572	2.5142	2.9572	3.7364	3.9676	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.051	C1	C3	H9	110.887
C1	C3	H10	118.207	C1	C4	C2	88.051
C1	C4	H11	110.887	C1	C4	H12	118.207
C2	C3	H9	110.887	C2	C3	H10	118.207
C2	C4	H11	110.887	C2	C4	H12	118.207
C3	C1	C4	88.051	C3	C1	H5	110.887
C3	C1	H6	118.207	C3	C2	C4	88.051
C3	C2	H7	110.887	C3	C2	H8	118.207
C4	C1	H5	110.887	C4	C1	H6	118.207
C4	C2	H7	110.887	C4	C2	H8	118.207
H5	C1	H6	109.177	H7	C2	H8	109.177
H9	C3	H10	109.177	H11	C4	H12	109.177

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)