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	hartrees
Energy at 0K	-115.815893
Energy at 298.15K	-115.817526
HF Energy	-115.691822
Nuclear repulsion energy	57.903333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3169	0.04
2	A'	3109	2948	64.96
3	A'	1675	1588	0.24
4	A'	1265	1200	9.98
5	A'	1037	984	16.00
6	A'	943	895	5.11
7	A'	604	573	60.18
8	A"	3300	3130	0.06
9	A"	1071	1016	25.47
10	A"	1006	954	5.01
11	A"	871	826	0.10
12	A"	777	737	19.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.889	0.000
H2	0.748	1.649	0.000
C3	-0.037	-0.418	0.658
C4	-0.037	-0.418	-0.658
H5	-0.039	-0.982	1.577
H6	-0.039	-0.982	-1.577

	C1	H2	C3	C4	H5	H6
C1		1.0923	1.4639	1.4639	2.4476	2.4476
H2	1.0923		2.3070	2.3070	3.1669	3.1669
C3	1.4639	2.3070		1.3159	1.0783	2.3051
C4	1.4639	2.3070	1.3159		2.3051	1.0783
H5	2.4476	3.1669	1.0783	2.3051		3.1540
H6	2.4476	3.1669	2.3051	1.0783	3.1540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.291	C1	C3	H5	148.250
C1	C4	C3	63.291	C1	C4	H6	148.250
H2	C1	C3	128.393	H2	C1	C4	128.393
C3	C1	C4	53.418	C3	C4	H6	148.459
C4	C3	H5	148.459

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

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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