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	hartrees
Energy at 0K	-155.731644
Energy at 298.15K
HF Energy	-154.954669
Nuclear repulsion energy	113.642236

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.668	0.811
C2	0.000	-0.668	0.811
C3	0.000	0.780	-0.697
C4	0.000	-0.780	-0.697
H5	0.000	1.409	1.593
H6	0.000	-1.409	1.593
H7	0.887	1.231	-1.139
H8	-0.887	-1.231	-1.139
H9	-0.887	1.231	-1.139
H10	0.887	-1.231	-1.139

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3354	1.5120	2.0902	1.0772	2.2187	2.2150	2.8623	2.2150	2.8623
C2	1.3354		2.0902	1.5120	2.2187	1.0772	2.8623	2.2150	2.8623	2.2150
C3	1.5120	2.0902		1.5596	2.3746	3.1674	1.0885	2.2412	1.0885	2.2412
C4	2.0902	1.5120	1.5596		3.1674	2.3746	2.2412	1.0885	2.2412	1.0885
H5	1.0772	2.2187	2.3746	3.1674		2.8172	2.8780	3.9008	2.8780	3.9008
H6	2.2187	1.0772	3.1674	2.3746	2.8172		3.9008	2.8780	3.9008	2.8780
H7	2.2150	2.8623	1.0885	2.2412	2.8780	3.9008		3.0332	1.7730	2.4610
H8	2.8623	2.2150	2.2412	1.0885	3.9008	2.8780	3.0332		2.4610	1.7730
H9	2.2150	2.8623	1.0885	2.2412	2.8780	3.9008	1.7730	2.4610		3.0332
H10	2.8623	2.2150	2.2412	1.0885	3.9008	2.8780	2.4610	1.7730	3.0332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.251	C1	C2	H6	133.454
C1	C3	C4	85.749	C1	C3	H7	115.850
C1	C3	H9	115.850	C2	C1	C3	94.251
C2	C1	H5	133.454	C2	C4	C3	85.749
C2	C4	H8	115.850	C2	C4	H10	115.850
C3	C1	H5	132.294	C3	C4	H8	114.462
C3	C4	H10	114.462	C4	C2	H6	132.294
C4	C3	H7	114.462	C4	C3	H9	114.462
H7	C3	H9	109.068	H8	C4	H10	109.068

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: CCSD=FULL/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 C4H6 (Cyclobutene)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)