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	hartrees
Energy at 0K	-115.614213
Energy at 298.15K	-115.615791
HF Energy	-115.212405
Nuclear repulsion energy	57.639976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3165	0.12
2	A'	3088	2956	53.49
3	A'	1654	1583	0.74
4	A'	1243	1190	8.17
5	A'	1019	975	17.54
6	A'	933	893	6.30
7	A'	596	571	79.51
8	A"	3257	3118	2.98
9	A"	1046	1002	23.37
10	A"	994	952	4.49
11	A"	848	812	0.38
12	A"	675	646	51.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.896	0.000
H2	0.748	1.657	0.000
C3	-0.037	-0.421	0.660
C4	-0.037	-0.421	-0.660
H5	-0.040	-0.986	1.581
H6	-0.040	-0.986	-1.581

	C1	H2	C3	C4	H5	H6
C1		1.0937	1.4733	1.4733	2.4581	2.4581
H2	1.0937		2.3177	2.3177	3.1794	3.1794
C3	1.4733	2.3177		1.3204	1.0804	2.3114
C4	1.4733	2.3177	1.3204		2.3114	1.0804
H5	2.4581	3.1794	1.0804	2.3114		3.1622
H6	2.4581	3.1794	2.3114	1.0804	3.1622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.378	C1	C3	H5	148.151
C1	C4	C3	63.378	C1	C4	H6	148.151
H2	C1	C3	128.479	H2	C1	C4	128.479
C3	C1	C4	53.243	C3	C4	H6	148.470
C4	C3	H5	148.470

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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