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	hartrees
Energy at 0K	-156.912708
Energy at 298.15K
HF Energy	-156.150764
Nuclear repulsion energy	124.283380

Atom	x (Å)	y (Å)	z (Å)
C1	0.351	0.410	0.000
C2	-0.891	1.269	0.000
H3	1.290	0.952	0.000
C4	0.351	-0.894	0.757
C5	0.351	-0.894	-0.757
H6	1.258	-1.199	1.263
H7	1.258	-1.199	-1.263
H8	-0.567	-1.177	1.258
H9	-0.567	-1.177	-1.258
H10	-1.785	0.639	0.000
H11	-0.933	1.908	0.885
H12	-0.933	1.908	-0.885

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5101	1.0840	1.5084	1.5084	2.2373	2.2373	2.2232	2.2232	2.1483	2.1626	2.1626
C2	1.5101		2.2039	2.6069	2.6069	3.5073	3.5073	2.7691	2.7691	1.0936	1.0930	1.0930
H3	1.0840	2.2039		2.2055	2.2055	2.4945	2.4945	3.0921	3.0921	3.0908	2.5765	2.5765
C4	1.5084	2.6069	2.2055		1.5147	1.0816	2.2353	1.0829	2.2323	2.7364	3.0855	3.4932
C5	1.5084	2.6069	2.2055	1.5147		2.2353	1.0816	2.2323	1.0829	2.7364	3.4932	3.0855
H6	2.2373	3.5073	2.4945	1.0816	2.2353		2.5262	1.8243	3.1118	3.7722	3.8203	4.3666
H7	2.2373	3.5073	2.4945	2.2353	1.0816	2.5262		3.1118	1.8243	3.7722	4.3666	3.8203
H8	2.2232	2.7691	3.0921	1.0829	2.2323	1.8243	3.1118		2.5156	2.5225	3.1290	3.7742
H9	2.2232	2.7691	3.0921	2.2323	1.0829	3.1118	1.8243	2.5156		2.5225	3.7742	3.1290
H10	2.1483	1.0936	3.0908	2.7364	2.7364	3.7722	3.7722	2.5225	2.5225		1.7668	1.7668
H11	2.1626	1.0930	2.5765	3.0855	3.4932	3.8203	4.3666	3.1290	3.7742	1.7668		1.7706
H12	2.1626	1.0930	2.5765	3.4932	3.0855	4.3666	3.8203	3.7742	3.1290	1.7668	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.174	C1	C2	H11	111.355
C1	C2	H12	111.355	C1	C4	H5	59.861
C1	C4	H6	118.566	C1	C4	H8	117.227
C1	H5	C4	59.861	C1	H5	H7	118.566
C1	H5	H9	117.227	C2	C1	C3	115.345
C2	C1	C4	119.459	C2	C1	H5	119.459
C3	C1	C4	115.618	C3	C1	H5	115.618
C4	C1	H5	60.278	C4	H5	H7	117.878
C4	H5	H9	117.524	H5	C4	H6	117.878
H5	C4	H8	117.524	H6	C4	H8	114.885
H7	H5	H9	114.885	H10	C2	H11	107.811
H10	C2	H12	107.811	H11	C2	H12	108.193

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: CCSD(T)/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 (methylcyclopropane)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)