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	hartrees
Energy at 0K	-156.881353
Energy at 298.15K
HF Energy	-156.151197
Nuclear repulsion energy	124.594379

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.408	0.000
C2	-0.888	1.268	0.000
H3	1.286	0.947	0.000
C4	0.350	-0.893	0.755
C5	0.350	-0.893	-0.755
H6	1.253	-1.196	1.260
H7	1.253	-1.196	-1.260
H8	-0.565	-1.176	1.254
H9	-0.565	-1.176	-1.254
H10	-1.782	0.645	0.000
H11	-0.927	1.906	0.882
H12	-0.927	1.906	-0.882

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5079	1.0803	1.5041	1.5041	2.2304	2.2304	2.2173	2.2173	2.1456	2.1577	2.1577
C2	1.5079		2.1979	2.6029	2.6029	3.4994	3.4994	2.7661	2.7661	1.0902	1.0895	1.0895
H3	1.0803	2.1979		2.1983	2.1983	2.4860	2.4860	3.0828	3.0828	3.0834	2.5685	2.5685
C4	1.5041	2.6029	2.1983		1.5100	1.0782	2.2288	1.0795	2.2253	2.7354	3.0797	3.4856
C5	1.5041	2.6029	2.1983	1.5100		2.2288	1.0782	2.2253	1.0795	2.7354	3.4856	3.0797
H6	2.2304	3.4994	2.4860	1.0782	2.2288		2.5197	1.8180	3.1022	3.7672	3.8107	4.3552
H7	2.2304	3.4994	2.4860	2.2288	1.0782	2.5197		3.1022	1.8180	3.7672	4.3552	3.8107
H8	2.2173	2.7661	3.0828	1.0795	2.2253	1.8180	3.1022		2.5077	2.5240	3.1257	3.7676
H9	2.2173	2.7661	3.0828	2.2253	1.0795	3.1022	1.8180	2.5077		2.5240	3.7676	3.1257
H10	2.1456	1.0902	3.0834	2.7354	2.7354	3.7672	3.7672	2.5240	2.5240		1.7611	1.7611
H11	2.1577	1.0895	2.5685	3.0797	3.4856	3.8107	4.3552	3.1257	3.7676	1.7611		1.7646
H12	2.1577	1.0895	2.5685	3.4856	3.0797	4.3552	3.8107	3.7676	3.1257	1.7611	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.307	C1	C2	H11	111.322
C1	C2	H12	111.322	C1	C4	H5	59.868
C1	C4	H6	118.549	C1	C4	H8	117.292
C1	H5	C4	59.868	C1	H5	H7	118.549
C1	H5	H9	117.292	C2	C1	C3	115.249
C2	C1	C4	119.581	C2	C1	H5	119.581
C3	C1	C4	115.578	C3	C1	H5	115.578
C4	C1	H5	60.263	C4	H5	H7	117.917
C4	H5	H9	117.524	H5	C4	H6	117.917
H5	C4	H8	117.524	H6	C4	H8	114.829
H7	H5	H9	114.829	H10	C2	H11	107.795
H10	C2	H12	107.795	H11	C2	H12	108.157

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)