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	hartrees
Energy at 0K	-156.883571
Energy at 298.15K
HF Energy	-156.133715
Nuclear repulsion energy	123.856844

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.409	0.000
C2	-0.890	1.278	0.000
H3	1.294	0.953	0.000
C4	0.350	-0.899	0.759
C5	0.350	-0.899	-0.759
H6	1.261	-1.203	1.268
H7	1.261	-1.203	-1.268
H8	-0.571	-1.184	1.262
H9	-0.571	-1.184	-1.262
H10	-1.791	0.650	0.000
H11	-0.924	1.920	0.890
H12	-0.924	1.920	-0.890

	C1	C2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.5143	1.0896	1.5123	1.5123	2.2442	2.2442	2.2314	2.2314	2.1550	2.1678	2.1678
C2	1.5143		2.2082	2.6177	2.6177	3.5199	3.5199	2.7845	2.7845	1.0980	1.0979	1.0979
H3	1.0896	2.2082		2.2131	2.2131	2.5019	2.5019	3.1049	3.1049	3.1002	2.5783	2.5783
C4	1.5123	2.6177	2.2131		1.5183	1.0867	2.2433	1.0878	2.2393	2.7499	3.0965	3.5057
C5	1.5123	2.6177	2.2131	1.5183		2.2433	1.0867	2.2393	1.0878	2.7499	3.5057	3.0965
H6	2.2442	3.5199	2.5019	1.0867	2.2433		2.5367	1.8325	3.1239	3.7893	3.8304	4.3802
H7	2.2442	3.5199	2.5019	2.2433	1.0867	2.5367		3.1239	1.8325	3.7893	4.3802	3.8304
H8	2.2314	2.7845	3.1049	1.0878	2.2393	1.8325	3.1239		2.5233	2.5385	3.1462	3.7932
H9	2.2314	2.7845	3.1049	2.2393	1.0878	3.1239	1.8325	2.5233		2.5385	3.7932	3.1462
H10	2.1550	1.0980	3.1002	2.7499	2.7499	3.7893	3.7893	2.5385	2.5385		1.7765	1.7765
H11	2.1678	1.0979	2.5783	3.0965	3.5057	3.8304	4.3802	3.1462	3.7932	1.7765		1.7793
H12	2.1678	1.0979	2.5783	3.5057	3.0965	4.3802	3.8304	3.7932	3.1462	1.7765	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H10	110.143	C1	C2	H11	111.171
C1	C2	H12	111.171	C1	C4	H5	59.868
C1	C4	H6	118.506	C1	C4	H8	117.293
C1	H5	C4	59.868	C1	H5	H7	118.506
C1	H5	H9	117.293	C2	C1	C3	115.025
C2	C1	C4	119.747	C2	C1	H5	119.747
C3	C1	C4	115.594	C3	C1	H5	115.594
C4	C1	H5	60.265	C4	H5	H7	117.941
C4	H5	H9	117.511	H5	C4	H6	117.941
H5	C4	H8	117.511	H6	C4	H8	114.848
H7	H5	H9	114.848	H10	C2	H11	107.992
H10	C2	H12	107.992	H11	C2	H12	108.254

All results from a given calculation for C₄H₈ (methylcyclopropane)

using model chemistry: MP4=FULL/6-311G**

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: MP4=FULL/6-311G**

States and conformations

All results from a given calculation for C₄H₈ (methylcyclopropane)