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	hartrees
Energy at 0K	-116.594627
Energy at 298.15K
HF Energy	-116.594627
Nuclear repulsion energy	63.834818

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.647	-0.500
C3	0.000	-0.647	-0.500
H4	0.000	1.580	-1.041
H5	0.000	-1.580	-1.041
H6	0.915	0.000	1.459
H7	-0.915	0.000	1.459

	C1	C2	C3	H4	H5	H6	H7
C1		1.5055	1.5055	2.4716	2.4716	1.0932	1.0932
C2	1.5055		1.2940	1.0787	2.2920	2.2561	2.2561
C3	1.5055	1.2940		2.2920	1.0787	2.2561	2.2561
H4	2.4716	1.0787	2.2920		3.1605	3.0952	3.0952
H5	2.4716	2.2920	1.0787	3.1605		3.0952	3.0952
H6	1.0932	2.2561	2.2561	3.0952	3.0952		1.8291
H7	1.0932	2.2561	2.2561	3.0952	3.0952	1.8291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.547	C1	C2	H4	145.556
C1	C3	C2	64.547	C1	C3	H5	145.556
C2	C1	C3	50.906	C2	C1	H6	119.649
C2	C1	H7	119.649	C2	C3	H5	149.897
C3	C1	H6	119.649	C3	C1	H7	119.649
C3	C2	H4	149.897	H6	C1	H7	113.560

Number	Element	Mulliken
1	C	-0.485
2	C	-0.555
3	C	-0.555
4	H	0.459
5	H	0.459
6	H	0.339
7	H	0.339

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: B97D3/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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<r²>	37.040
(<r²>)^1/2	6.086

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)