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	hartrees
Energy at 0K	-115.880020
Energy at 298.15K	-115.881807
HF Energy	-115.961472
Nuclear repulsion energy	58.022421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3191	0.02
2	A'	3054	2947	58.68
3	A'	1670	1612	0.18
4	A'	1244	1200	9.68
5	A'	1003	968	19.56
6	A'	936	903	3.48
7	A'	640	618	50.04
8	A"	3259	3145	0.91
9	A"	1046	1010	25.57
10	A"	983	949	3.89
11	A"	900	868	0.01
12	A"	706	681	26.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.888	0.000
H2	0.744	1.653	0.000
C3	-0.037	-0.418	0.655
C4	-0.037	-0.418	-0.655
H5	-0.040	-0.983	1.572
H6	-0.040	-0.983	-1.572

	C1	H2	C3	C4	H5	H6
C1		1.0930	1.4615	1.4615	2.4437	2.4437
H2	1.0930		2.3084	2.3084	3.1674	3.1674
C3	1.4615	2.3084		1.3108	1.0767	2.2980
C4	1.4615	2.3084	1.3108		2.2980	1.0767
H5	2.4437	3.1674	1.0767	2.2980		3.1443
H6	2.4437	3.1674	2.2980	1.0767	3.1443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.367	C1	C3	H5	148.271
C1	C4	C3	63.367	C1	C4	H6	148.271
H2	C1	C3	128.640	H2	C1	C4	128.640
C3	C1	C4	53.266	C3	C4	H6	148.362
C4	C3	H5	148.362

All results from a given calculation for C₃H₃ (cyclopropenyl radical)

using model chemistry: G4

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.272
2	H	0.110
3	C	-0.069
4	C	-0.069
5	H	0.150
6	H	0.150

	x	y	z	Total
	0.578	-1.339	0.000	1.459
CHELPG
AIM
ESP

<r²>	33.030
(<r²>)^1/2	5.747

All results from a given calculation for C3H3 (cyclopropenyl radical)

using model chemistry: G4

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

All results from a given calculation for C₃H₃ (cyclopropenyl radical)