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	hartrees
Energy at 0K	-115.597819
Energy at 298.15K	-115.599562
HF Energy	-115.201947
Nuclear repulsion energy	57.301262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3186	0.43
2	A'	3116	2981	51.75
3	A'	1680	1607	0.34
4	A'	1257	1203	9.40
5	A'	1016	972	16.49
6	A'	928	888	4.17
7	A'	608	582	62.51
8	A"	4656	4454	67264.91
9	A"	2981	2852	4638.47
10	A"	1020	976	11.03
11	A"	984	942	0.10
12	A"	866	828	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	0.899	0.000
H2	0.756	1.666	0.000
C3	-0.038	-0.423	0.664
C4	-0.038	-0.423	-0.664
H5	-0.038	-0.993	1.593
H6	-0.038	-0.993	-1.593

	C1	H2	C3	C4	H5	H6
C1		1.1036	1.4799	1.4799	2.4734	2.4734
H2	1.1036		2.3316	2.3316	3.1997	3.1997
C3	1.4799	2.3316		1.3290	1.0894	2.3283
C4	1.4799	2.3316	1.3290		2.3283	1.0894
H5	2.4734	3.1997	1.0894	2.3283		3.1861
H6	2.4734	3.1997	2.3283	1.0894	3.1861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.319	C1	C3	H5	148.216
C1	C4	C3	63.319	C1	C4	H6	148.216
H2	C1	C3	128.393	H2	C1	C4	128.393
C3	C1	C4	53.362	C3	C4	H6	148.465
C4	C3	H5	148.465

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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