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	hartrees
Energy at 0K	-115.728987
Energy at 298.15K	-115.730748
HF Energy	-115.234628
Nuclear repulsion energy	58.231953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3186	1.11
2	A'	3156	2997	39.54
3	A'	1641	1558	0.67
4	A'	1266	1202	6.70
5	A'	1009	958	18.87
6	A'	936	888	5.87
7	A'	619	588	64.68
8	A"	3704	3517	9634.81
9	A"	2721	2583	6416.29
10	A"	1016	964	17.27
11	A"	999	949	0.02
12	A"	885	840	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	0.881	0.000
H2	0.730	1.644	0.000
C3	-0.036	-0.416	0.657
C4	-0.036	-0.416	-0.657
H5	-0.039	-0.973	1.570
H6	-0.039	-0.973	-1.570

	C1	H2	C3	C4	H5	H6
C1		1.0806	1.4540	1.4540	2.4295	2.4295
H2	1.0806		2.2933	2.2933	3.1468	3.1468
C3	1.4540	2.2933		1.3142	1.0693	2.2954
C4	1.4540	2.2933	1.3142		2.2954	1.0693
H5	2.4295	3.1468	1.0693	2.2954		3.1392
H6	2.4295	3.1468	2.2954	1.0693	3.1392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.133	C1	C3	H5	148.284
C1	C4	C3	63.133	C1	C4	H6	148.284
H2	C1	C3	128.997	H2	C1	C4	128.997
C3	C1	C4	53.734	C3	C4	H6	148.582
C4	C3	H5	148.582

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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