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	hartrees
Energy at 0K	-116.628124
Energy at 298.15K
HF Energy	-116.628124
Nuclear repulsion energy	64.112644

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.642	-0.499
C3	0.000	-0.642	-0.499
H4	0.000	1.569	-1.040
H5	0.000	-1.569	-1.040
H6	0.911	0.000	1.453
H7	-0.911	0.000	1.453

	C1	C2	C3	H4	H5	H6	H7
C1		1.5032	1.5032	2.4641	2.4641	1.0873	1.0873
C2	1.5032		1.2831	1.0735	2.2756	2.2481	2.2481
C3	1.5032	1.2831		2.2756	1.0735	2.2481	2.2481
H4	2.4641	1.0735	2.2756		3.1377	3.0835	3.0835
H5	2.4641	2.2756	1.0735	3.1377		3.0835	3.0835
H6	1.0873	2.2481	2.2481	3.0835	3.0835		1.8228
H7	1.0873	2.2481	2.2481	3.0835	3.0835	1.8228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.736	C1	C2	H4	145.514
C1	C3	C2	64.736	C1	C3	H5	145.514
C2	C1	C3	50.527	C2	C1	H6	119.553
C2	C1	H7	119.553	C2	C3	H5	149.749
C3	C1	H6	119.553	C3	C1	H7	119.553
C3	C2	H4	149.749	H6	C1	H7	113.898

Number	Element	Mulliken
1	C	-0.225
2	C	-0.197
3	C	-0.197
4	H	0.191
5	H	0.191
6	H	0.119
7	H	0.119

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: wB97X-D/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>	36.701
(<r²>)^1/2	6.058

All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)