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	hartrees
Energy at 0K	-156.786919
Energy at 298.15K
HF Energy	-156.111389
Nuclear repulsion energy	126.094191

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.085	0.147
C2	0.000	-1.085	0.147
C3	-1.085	0.000	-0.147
C4	1.085	0.000	-0.147
H5	0.000	1.359	1.217
H6	0.000	2.005	-0.461
H7	0.000	-1.359	1.217
H8	0.000	-2.005	-0.461
H9	-1.359	0.000	-1.217
H10	-2.005	0.000	0.461
H11	1.359	0.000	-1.217
H12	2.005	0.000	0.461

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1709	1.5632	1.5632	1.1041	1.1025	2.6683	3.1495	2.2108	2.3011	2.2108	2.3011
C2	2.1709		1.5632	1.5632	2.6683	3.1495	1.1041	1.1025	2.2108	2.3011	2.2108	2.3011
C3	1.5632	1.5632		2.1709	2.2108	2.3011	2.2108	2.3011	1.1041	1.1025	2.6683	3.1495
C4	1.5632	1.5632	2.1709		2.2108	2.3011	2.2108	2.3011	2.6683	3.1495	1.1041	1.1025
H5	1.1041	2.6683	2.2108	2.2108		1.7984	2.7180	3.7591	3.1016	2.5370	3.1016	2.5370
H6	1.1025	3.1495	2.3011	2.3011	1.7984		3.7591	4.0092	2.5370	2.9813	2.5370	2.9813
H7	2.6683	1.1041	2.2108	2.2108	2.7180	3.7591		1.7984	3.1016	2.5370	3.1016	2.5370
H8	3.1495	1.1025	2.3011	2.3011	3.7591	4.0092	1.7984		2.5370	2.9813	2.5370	2.9813
H9	2.2108	2.2108	1.1041	2.6683	3.1016	2.5370	3.1016	2.5370		1.7984	2.7180	3.7591
H10	2.3011	2.3011	1.1025	3.1495	2.5370	2.9813	2.5370	2.9813	1.7984		3.7591	4.0092
H11	2.2108	2.2108	2.6683	1.1041	3.1016	2.5370	3.1016	2.5370	2.7180	3.7591		1.7984
H12	2.3011	2.3011	3.1495	1.1025	2.5370	2.9813	2.5370	2.9813	3.7591	4.0092	1.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	87.959	C1	C3	H9	110.784
C1	C3	H10	118.340	C1	C4	C2	87.959
C1	C4	H11	110.784	C1	C4	H12	118.340
C2	C3	H9	110.784	C2	C3	H10	118.340
C2	C4	H11	110.784	C2	C4	H12	118.340
C3	C1	C4	87.959	C3	C1	H5	110.784
C3	C1	H6	118.340	C3	C2	C4	87.959
C3	C2	H7	110.784	C3	C2	H8	118.340
C4	C1	H5	110.784	C4	C1	H6	118.340
C4	C2	H7	110.784	C4	C2	H8	118.340
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: MP4=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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)