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	hartrees
Energy at 0K	-115.307054
Energy at 298.15K	-115.308666
HF Energy	-115.307054
Nuclear repulsion energy	57.284207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3216	0.09
2	A'	3089	2983	49.98
3	A'	1613	1558	0.35
4	A'	1178	1137	15.33
5	A'	1000	966	11.57
6	A'	934	902	4.88
7	A'	669	646	101.39
8	A"	3281	3168	0.64
9	A"	1063	1027	21.69
10	A"	995	961	13.44
11	A"	905	874	0.32
12	A"	654	632	27.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	0.911	0.000
H2	0.763	1.652	0.000
C3	-0.038	-0.427	0.662
C4	-0.038	-0.427	-0.662
H5	-0.042	-0.996	1.572
H6	-0.042	-0.996	-1.572

	C1	H2	C3	C4	H5	H6
C1		1.0909	1.4934	1.4934	2.4719	2.4719
H2	1.0909		2.3243	2.3243	3.1830	3.1830
C3	1.4934	2.3243		1.3240	1.0734	2.3055
C4	1.4934	2.3243	1.3240		2.3055	1.0734
H5	2.4719	3.1830	1.0734	2.3055		3.1445
H6	2.4719	3.1830	2.3055	1.0734	3.1445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.685	C1	C3	H5	148.319
C1	C4	C3	63.685	C1	C4	H6	148.319
H2	C1	C3	127.467	H2	C1	C4	127.467
C3	C1	C4	52.629	C3	C4	H6	147.994
C4	C3	H5	147.994

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

using model chemistry: TPSSh/3-21G*

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	-0.159
2	H	0.189
3	C	-0.231
4	C	-0.231
5	H	0.215
6	H	0.215

	x	y	z	Total
	0.738	-1.264	0.000	1.464
CHELPG
AIM
ESP

	x	y	z
x	1.839	0.323	0.000
y	0.323	4.355	0.000
z	0.000	0.000	4.454

<r²>	33.744
(<r²>)^1/2	5.809

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

using model chemistry: TPSSh/3-21G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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