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	hartrees
Energy at 0K	-115.750084
Energy at 298.15K	-115.751866
HF Energy	-115.235017
Nuclear repulsion energy	58.329677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3376	3148	1.17
2	A'	3164	2951	39.53
3	A'	1693	1579	0.56
4	A'	1270	1184	7.41
5	A'	1013	945	18.80
6	A'	948	884	3.93
7	A'	633	591	69.65
8	A"	3410	3180	524.39
9	A"	2030	1893	2069.22
10	A"	1027	958	16.01
11	A"	1015	947	0.02
12	A"	904	843	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	0.883	0.000
H2	0.723	1.650	0.000
C3	-0.036	-0.417	0.653
C4	-0.036	-0.417	-0.653
H5	-0.040	-0.972	1.565
H6	-0.040	-0.972	-1.565

	C1	H2	C3	C4	H5	H6
C1		1.0793	1.4545	1.4545	2.4267	2.4267
H2	1.0793		2.2967	2.2967	3.1477	3.1477
C3	1.4545	2.2967		1.3068	1.0672	2.2865
C4	1.4545	2.2967	1.3068		2.2865	1.0672
H5	2.4267	3.1477	1.0672	2.2865		3.1293
H6	2.4267	3.1477	2.2865	1.0672	3.1293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.306	C1	C3	H5	148.057
C1	C4	C3	63.306	C1	C4	H6	148.057
H2	C1	C3	129.443	H2	C1	C4	129.443
C3	C1	C4	53.389	C3	C4	H6	148.635
C4	C3	H5	148.635

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

using model chemistry: MP3=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: MP3=FULL/cc-pVTZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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