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	hartrees
Energy at 0K	-156.776779
Energy at 298.15K
HF Energy	-156.111061
Nuclear repulsion energy	125.880403

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.088	0.145
C2	0.000	-1.088	0.145
C3	-1.088	0.000	-0.145
C4	1.088	0.000	-0.145
H5	0.000	1.370	1.214
H6	0.000	2.003	-0.472
H7	0.000	-1.370	1.214
H8	0.000	-2.003	-0.472
H9	-1.370	0.000	-1.214
H10	-2.003	0.000	0.472
H11	1.370	0.000	-1.214
H12	2.003	0.000	0.472

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		2.1759	1.5657	1.5657	1.1056	1.1038	2.6802	3.1523	2.2152	2.3031	2.2152	2.3031
C2	2.1759		1.5657	1.5657	2.6802	3.1523	1.1056	1.1038	2.2152	2.3031	2.2152	2.3031
C3	1.5657	1.5657		2.1759	2.2152	2.3031	2.2152	2.3031	1.1056	1.1038	2.6802	3.1523
C4	1.5657	1.5657	2.1759		2.2152	2.3031	2.2152	2.3031	2.6802	3.1523	1.1056	1.1038
H5	1.1056	2.6802	2.2152	2.2152		1.8008	2.7397	3.7710	3.1062	2.5380	3.1062	2.5380
H6	1.1038	3.1523	2.3031	2.3031	1.8008		3.7710	4.0070	2.5380	2.9862	2.5380	2.9862
H7	2.6802	1.1056	2.2152	2.2152	2.7397	3.7710		1.8008	3.1062	2.5380	3.1062	2.5380
H8	3.1523	1.1038	2.3031	2.3031	3.7710	4.0070	1.8008		2.5380	2.9862	2.5380	2.9862
H9	2.2152	2.2152	1.1056	2.6802	3.1062	2.5380	3.1062	2.5380		1.8008	2.7397	3.7710
H10	2.3031	2.3031	1.1038	3.1523	2.5380	2.9862	2.5380	2.9862	1.8008		3.7710	4.0070
H11	2.2152	2.2152	2.6802	1.1056	3.1062	2.5380	3.1062	2.5380	2.7397	3.7710		1.8008
H12	2.3031	2.3031	3.1523	1.1038	2.5380	2.9862	2.5380	2.9862	3.7710	4.0070	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	88.034	C1	C3	H9	110.872
C1	C3	H10	118.222	C1	C4	C2	88.034
C1	C4	H11	110.872	C1	C4	H12	118.222
C2	C3	H9	110.872	C2	C3	H10	118.222
C2	C4	H11	110.872	C2	C4	H12	118.222
C3	C1	C4	88.034	C3	C1	H5	110.872
C3	C1	H6	118.222	C3	C2	C4	88.034
C3	C2	H7	110.872	C3	C2	H8	118.222
C4	C1	H5	110.872	C4	C1	H6	118.222
C4	C2	H7	110.872	C4	C2	H8	118.222
H5	C1	H6	109.186	H7	C2	H8	109.186
H9	C3	H10	109.186	H11	C4	H12	109.186

All results from a given calculation for C₄H₈ (cyclobutane)

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

States and conformations

All results from a given calculation for C₄H₈ (cyclobutane)