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	hartrees
Energy at 0K	-115.380375
Energy at 298.15K	-115.382095
HF Energy	-115.137274
Nuclear repulsion energy	56.198362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3215	0.19
2	A'	3150	3034	41.51
3	A'	1538	1482	1.25
4	A'	1183	1139	9.56
5	A'	1010	973	7.52
6	A'	954	919	8.65
7	A'	609	586	113.41
8	A"	3369	3245	673.23
9	A"	1982	1908	2500.58
10	A"	1038	1000	15.02
11	A"	997	960	5.39
12	A"	835	804	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.035	0.923	0.000
H2	0.735	1.705	0.000
C3	-0.035	-0.437	0.680
C4	-0.035	-0.437	-0.680
H5	-0.051	-1.000	1.606
H6	-0.051	-1.000	-1.606

	C1	H2	C3	C4	H5	H6
C1		1.0973	1.5212	1.5212	2.5057	2.5057
H2	1.0973		2.3761	2.3761	3.2425	3.2425
C3	1.5212	2.3761		1.3606	1.0832	2.3543
C4	1.5212	2.3761	1.3606		2.3543	1.0832
H5	2.5057	3.2425	1.0832	2.3543		3.2114
H6	2.5057	3.2425	2.3543	1.0832	3.2114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.435	C1	C3	H5	147.866
C1	C4	C3	63.435	C1	C4	H6	147.866
H2	C1	C3	129.589	H2	C1	C4	129.589
C3	C1	C4	53.131	C3	C4	H6	148.680
C4	C3	H5	148.680

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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