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	hartrees
Energy at 0K	-157.216396
Energy at 298.15K
HF Energy	-157.216396
Nuclear repulsion energy	126.418683

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.085	0.122
C2	0.000	-1.085	0.122
C3	-1.085	0.000	-0.122
C4	1.085	0.000	-0.122
H5	0.000	1.432	1.168
H6	0.000	1.968	-0.536
H7	0.000	-1.432	1.168
H8	0.000	-1.968	-0.536
H9	-1.432	0.000	-1.168
H10	-1.968	0.000	0.536
H11	1.432	0.000	-1.168
H12	1.968	0.000	0.536

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1708	1.5542	1.5542	1.1020	1.1011	2.7261	3.1237	2.2119	2.2855	2.2119	2.2855
C2	2.1708		1.5542	1.5542	2.7261	3.1237	1.1020	1.1011	2.2119	2.2855	2.2119	2.2855
C3	1.5542	1.5542		2.1708	2.2119	2.2855	2.2119	2.2855	1.1020	1.1011	2.7261	3.1237
C4	1.5542	1.5542	2.1708		2.2119	2.2855	2.2119	2.2855	2.7261	3.1237	1.1020	1.1011
H5	1.1020	2.7261	2.2119	2.2119		1.7864	2.8641	3.8034	3.0916	2.5147	3.0916	2.5147
H6	1.1011	3.1237	2.2855	2.2855	1.7864		3.8034	3.9364	2.5147	2.9828	2.5147	2.9828
H7	2.7261	1.1020	2.2119	2.2119	2.8641	3.8034		1.7864	3.0916	2.5147	3.0916	2.5147
H8	3.1237	1.1011	2.2855	2.2855	3.8034	3.9364	1.7864		2.5147	2.9828	2.5147	2.9828
H9	2.2119	2.2119	1.1020	2.7261	3.0916	2.5147	3.0916	2.5147		1.7864	2.8641	3.8034
H10	2.2855	2.2855	1.1011	3.1237	2.5147	2.9828	2.5147	2.9828	1.7864		3.8034	3.9364
H11	2.2119	2.2119	2.7261	1.1020	3.0916	2.5147	3.0916	2.5147	2.8641	3.8034		1.7864
H12	2.2855	2.2855	3.1237	1.1011	2.5147	2.9828	2.5147	2.9828	3.8034	3.9364	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.590	C1	C3	H9	111.628
C1	C3	H10	117.786	C1	C4	C2	88.590
C1	C4	H11	111.628	C1	C4	H12	117.786
C2	C3	H9	111.628	C2	C3	H10	117.786
C2	C4	H11	111.628	C2	C4	H12	117.786
C3	C1	C4	88.590	C3	C1	H5	111.628
C3	C1	H6	117.786	C3	C2	C4	88.590
C3	C2	H7	111.628	C3	C2	H8	117.786
C4	C1	H5	111.628	C4	C1	H6	117.786
C4	C2	H7	111.628	C4	C2	H8	117.786
H5	C1	H6	108.366	H7	C2	H8	108.366
H9	C3	H10	108.366	H11	C4	H12	108.366

Number	Element	Mulliken
1	C	-0.010
2	C	-0.010
3	C	-0.010
4	C	-0.010
5	H	0.009
6	H	0.002
7	H	0.009
8	H	0.002
9	H	0.009
10	H	0.002
11	H	0.009
12	H	0.002

All results from a given calculation for C₄H₈ (cyclobutane)

using model chemistry: B3LYP/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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<r²>	75.730
(<r²>)^1/2	8.702

All results from a given calculation for C4H8 (cyclobutane)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)