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	hartrees
Energy at 0K	-115.573171
Energy at 298.15K	-115.574903
HF Energy	-115.201522
Nuclear repulsion energy	57.263844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3177	0.51
2	A'	3125	2977	53.37
3	A'	1628	1551	0.43
4	A'	1257	1198	9.13
5	A'	1020	971	17.29
6	A'	922	879	6.26
7	A'	601	572	60.03
8	A"	9255	8815	1425060.00
9	A"	3102	2954	2525.56
10	A"	1012	964	14.73
11	A"	972	926	0.00
12	A"	857	816	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	0.898	0.000
H2	0.761	1.657	0.000
C3	-0.038	-0.422	0.668
C4	-0.038	-0.422	-0.668
H5	-0.036	-0.992	1.595
H6	-0.036	-0.992	-1.595

	C1	H2	C3	C4	H5	H6
C1		1.1027	1.4784	1.4784	2.4729	2.4729
H2	1.1027		2.3252	2.3252	3.1938	3.1938
C3	1.4784	2.3252		1.3355	1.0889	2.3337
C4	1.4784	2.3252	1.3355		2.3337	1.0889
H5	2.4729	3.1938	1.0889	2.3337		3.1902
H6	2.4729	3.1938	2.3337	1.0889	3.1902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.149	C1	C3	H5	148.460
C1	C4	C3	63.149	C1	C4	H6	148.460
H2	C1	C3	127.941	H2	C1	C4	127.941
C3	C1	C4	53.702	C3	C4	H6	148.391
C4	C3	H5	148.391

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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