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	hartrees
Energy at 0K	-115.670122
Energy at 298.15K	-115.671869
HF Energy	-115.229462
Nuclear repulsion energy	58.114701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3361	3202	0.80
2	A'	3148	2999	44.36
3	A'	1648	1570	0.95
4	A'	1263	1203	8.64
5	A'	1028	979	12.41
6	A'	951	906	7.58
7	A'	593	565	77.49
8	A"	4378	4171	48588.25
9	A"	2981	2840	5711.32
10	A"	1026	977	16.16
11	A"	1007	960	1.02
12	A"	864	823	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.035	0.883	0.000
H2	0.737	1.648	0.000
C3	-0.035	-0.416	0.658
C4	-0.035	-0.416	-0.658
H5	-0.052	-0.976	1.574
H6	-0.052	-0.976	-1.574

	C1	H2	C3	C4	H5	H6
C1		1.0860	1.4566	1.4566	2.4357	2.4357
H2	1.0860		2.2995	2.2995	3.1591	3.1591
C3	1.4566	2.2995		1.3151	1.0734	2.3002
C4	1.4566	2.2995	1.3151		2.3002	1.0734
H5	2.4357	3.1591	1.0734	2.3002		3.1472
H6	2.4357	3.1591	2.3002	1.0734	3.1472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.166	C1	C3	H5	148.228
C1	C4	C3	63.166	C1	C4	H6	148.228
H2	C1	C3	128.897	H2	C1	C4	128.897
C3	C1	C4	53.667	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/TZVP

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/TZVP

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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