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	hartrees
Energy at 0K	-155.753865
Energy at 298.15K
HF Energy	-154.933198
Nuclear repulsion energy	108.833836

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.042	-1.320	0.000
C3	1.152	-0.407	0.000
C4	-0.842	1.380	0.000
H5	-0.310	-1.842	0.911
H6	-0.310	-1.842	-0.911
H7	2.222	-0.362	0.000
H8	-0.242	2.283	0.000
H9	-1.487	1.385	-0.875
H10	-1.487	1.385	0.875

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4998	1.2930	1.4659	2.2389	2.2389	2.2870	2.1177	2.1044	2.1044
C2	1.4998		1.5026	2.8154	1.0835	1.0835	2.4575	3.6086	3.1888	3.1888
C3	1.2930	1.5026		2.6775	2.2418	2.2418	1.0705	3.0303	3.3078	3.3078
C4	1.4659	2.8154	2.6775		3.3901	3.3901	3.5243	1.0846	1.0868	1.0868
H5	2.2389	1.0835	2.2418	3.3901		1.8212	3.0704	4.2254	3.8712	3.4353
H6	2.2389	1.0835	2.2418	3.3901	1.8212		3.0704	4.2254	3.4353	3.8712
H7	2.2870	2.4575	1.0705	3.5243	3.0704	3.0704		3.6153	4.1921	4.1921
H8	2.1177	3.6086	3.0303	1.0846	4.2254	4.2254	3.6153		1.7670	1.7670
H9	2.1044	3.1888	3.3078	1.0868	3.8712	3.4353	4.1921	1.7670		1.7491
H10	2.1044	3.1888	3.3078	1.0868	3.4353	3.8712	4.1921	1.7670	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.020	H1	C2	C6	119.270
C2	C3	C6	24.929	C2	C3	C10	72.246
C2	C6	C3	35.768	C2	C6	H4	49.819
C2	C6	H5	32.821	C3	C2	C6	119.302
C3	C6	H4	52.041	C3	C6	H5	66.034
C3	C10	H7	9.296	C3	C10	H8	65.320
C3	C10	H9	74.670	H4	C6	H5	74.419
C6	C3	C10	86.208	H7	C10	H8	59.023
H7	C10	H9	77.959	H8	C10	H9	60.336

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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 (1-Methylcyclopropene)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)