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	hartrees
Energy at 0K	-116.321012
Energy at 298.15K
HF Energy	-115.867000
Nuclear repulsion energy	64.298417

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
C2	0.000	0.641	-0.498
C3	0.000	-0.641	-0.498
H4	0.000	1.566	-1.032
H5	0.000	-1.566	-1.032
H6	0.907	0.000	1.446
H7	-0.907	0.000	1.446

	C1	C2	C3	H4	H5	H6	H7
C1		1.4989	1.4989	2.4539	2.4539	1.0811	1.0811
C2	1.4989		1.2826	1.0681	2.2712	2.2387	2.2387
C3	1.4989	1.2826		2.2712	1.0681	2.2387	2.2387
H4	2.4539	1.0681	2.2712		3.1323	3.0686	3.0686
H5	2.4539	2.2712	1.0681	3.1323		3.0686	3.0686
H6	1.0811	2.2387	2.2387	3.0686	3.0686		1.8130
H7	1.0811	2.2387	2.2387	3.0686	3.0686	1.8130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.668	C1	C2	H4	145.350
C1	C3	C2	64.668	C1	C3	H5	145.350
C2	C1	C3	50.665	C2	C1	H6	119.507
C2	C1	H7	119.507	C2	C3	H5	149.982
C3	C1	H6	119.507	C3	C1	H7	119.507
C3	C2	H4	149.982	H6	C1	H7	113.960

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: CID/daug-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 C3H4 (cyclopropene)

using model chemistry: CID/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)