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	hartrees
Energy at 0K	-115.705148
Energy at 298.15K	-115.706820
HF Energy	-115.234476
Nuclear repulsion energy	58.020786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3136	0.76
2	A'	3119	2936	43.95
3	A'	1665	1567	0.99
4	A'	1247	1174	6.90
5	A'	1007	947	17.34
6	A'	938	883	4.16
7	A'	617	581	68.96
8	A"	3287	3093	1.46
9	A"	1079	1015	23.85
10	A"	1005	946	5.87
11	A"	884	832	0.35
12	A"	813	765	20.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	0.888	0.000
H2	0.734	1.654	0.000
C3	-0.036	-0.419	0.656
C4	-0.036	-0.419	-0.656
H5	-0.040	-0.978	1.573
H6	-0.040	-0.978	-1.573

	C1	H2	C3	C4	H5	H6
C1		1.0863	1.4626	1.4626	2.4408	2.4408
H2	1.0863		2.3069	2.3069	3.1629	3.1629
C3	1.4626	2.3069		1.3126	1.0737	2.2982
C4	1.4626	2.3069	1.3126		2.2982	1.0737
H5	2.4408	3.1629	1.0737	2.2982		3.1455
H6	2.4408	3.1629	2.2982	1.0737	3.1455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.338	C1	C3	H5	148.066
C1	C4	C3	63.338	C1	C4	H6	148.066
H2	C1	C3	129.071	H2	C1	C4	129.071
C3	C1	C4	53.325	C3	C4	H6	148.595
C4	C3	H5	148.595

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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