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	hartrees
Energy at 0K	-115.684043
Energy at 298.15K	-115.685790
HF Energy	-115.234129
Nuclear repulsion energy	57.993885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3170	0.88
2	A'	3135	2976	42.11
3	A'	1625	1543	0.67
4	A'	1253	1190	6.99
5	A'	1009	958	17.56
6	A'	930	883	6.39
7	A'	608	577	64.59
8	A"	3972	3772	22392.18
9	A"	2868	2723	6114.54
10	A"	1012	961	16.75
11	A"	990	940	0.16
12	A"	875	831	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.886	0.000
H2	0.738	1.647	0.000
C3	-0.037	-0.417	0.659
C4	-0.037	-0.417	-0.659
H5	-0.039	-0.978	1.575
H6	-0.039	-0.978	-1.575

	C1	H2	C3	C4	H5	H6
C1		1.0859	1.4603	1.4603	2.4401	2.4401
H2	1.0859		2.3009	2.3009	3.1579	3.1579
C3	1.4603	2.3009		1.3189	1.0738	2.3041
C4	1.4603	2.3009	1.3189		2.3041	1.0738
H5	2.4401	3.1579	1.0738	2.3041		3.1508
H6	2.4401	3.1579	2.3041	1.0738	3.1508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.154	C1	C3	H5	148.309
C1	C4	C3	63.154	C1	C4	H6	148.309
H2	C1	C3	128.691	H2	C1	C4	128.691
C3	C1	C4	53.692	C3	C4	H6	148.537
C4	C3	H5	148.537

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

using model chemistry: MP2/cc-pVTZ

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

using model chemistry: MP2/cc-pVTZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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