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	hartrees
Energy at 0K	-115.724098
Energy at 298.15K	-115.725887
HF Energy	-115.191441
Nuclear repulsion energy	58.337632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3486	3486	0.15
2	A'	3232	3232	85.44
3	A'	1812	1812	0.69
4	A'	1320	1320	9.86
5	A'	1120	1120	12.20
6	A'	1011	1011	3.00
7	A'	704	704	72.33
8	A"	3429	3429	8.75
9	A"	1136	1136	18.80
10	A"	1089	1089	5.37
11	A"	986	986
12	A"	529	529	123.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.889	0.000
H2	0.744	1.642	0.000
C3	-0.037	-0.418	0.647
C4	-0.037	-0.418	-0.647
H5	-0.040	-0.979	1.558
H6	-0.040	-0.979	-1.558

	C1	H2	C3	C4	H5	H6
C1		1.0846	1.4590	1.4590	2.4327	2.4327
H2	1.0846		2.2964	2.2964	3.1482	3.1482
C3	1.4590	2.2964		1.2945	1.0696	2.2755
C4	1.4590	2.2964	1.2945		2.2755	1.0696
H5	2.4327	3.1482	1.0696	2.2755		3.1161
H6	2.4327	3.1482	2.2755	1.0696	3.1161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.664	C1	C3	H5	147.954
C1	C4	C3	63.664	C1	C4	H6	147.954
H2	C1	C3	128.463	H2	C1	C4	128.463
C3	C1	C4	52.672	C3	C4	H6	148.381
C4	C3	H5	148.381

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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