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	hartrees
Energy at 0K	-115.588852
Energy at 298.15K	-115.590543
HF Energy	-115.205376
Nuclear repulsion energy	57.258243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3193	0.62
2	A'	3121	2993	46.53
3	A'	1608	1542	1.53
4	A'	1237	1186	6.29
5	A'	991	951	14.79
6	A'	917	880	5.90
7	A'	567	544	68.06
8	A"	7159	6865	502551.90
9	A"	3081	2955	2908.12
10	A"	1000	959	15.21
11	A"	963	924	0.01
12	A"	816	782	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.896	0.000
H2	0.748	1.667	0.000
C3	-0.037	-0.422	0.669
C4	-0.037	-0.422	-0.669
H5	-0.042	-0.991	1.595
H6	-0.042	-0.991	-1.595

	C1	H2	C3	C4	H5	H6
C1		1.0997	1.4780	1.4780	2.4711	2.4711
H2	1.0997		2.3291	2.3291	3.1987	3.1987
C3	1.4780	2.3291		1.3379	1.0871	2.3345
C4	1.4780	2.3291	1.3379		2.3345	1.0871
H5	2.4711	3.1987	1.0871	2.3345		3.1900
H6	2.4711	3.1987	2.3345	1.0871	3.1900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.090	C1	C3	H5	148.499
C1	C4	C3	63.090	C1	C4	H6	148.499
H2	C1	C3	128.660	H2	C1	C4	128.660
C3	C1	C4	53.820	C3	C4	H6	148.409
C4	C3	H5	148.409

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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