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	hartrees
Energy at 0K	-115.603014
Energy at 298.15K	-115.604758
HF Energy	-115.202559
Nuclear repulsion energy	57.899883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3385	3189	0.50
2	A'	3177	2994	44.26
3	A'	1697	1599	1.19
4	A'	1273	1200	9.92
5	A'	1035	976	11.66
6	A'	960	904	5.60
7	A'	587	553	87.63
8	A"	3853	3631	17496.94
9	A"	2832	2668	7725.58
10	A"	1043	983	12.99
11	A"	1023	964	0.96
12	A"	855	806	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	0.889	0.000
H2	0.732	1.658	0.000
C3	-0.036	-0.419	0.659
C4	-0.036	-0.419	-0.659
H5	-0.046	-0.979	1.577
H6	-0.046	-0.979	-1.577

	C1	H2	C3	C4	H5	H6
C1		1.0867	1.4647	1.4647	2.4439	2.4439
H2	1.0867		2.3104	2.3104	3.1691	3.1691
C3	1.4647	2.3104		1.3182	1.0746	2.3046
C4	1.4647	2.3104	1.3182		2.3046	1.0746
H5	2.4439	3.1691	1.0746	2.3046		3.1530
H6	2.4439	3.1691	2.3046	1.0746	3.1530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.256	C1	C3	H5	148.114
C1	C4	C3	63.256	C1	C4	H6	148.114
H2	C1	C3	129.200	H2	C1	C4	129.200
C3	C1	C4	53.489	C3	C4	H6	148.621
C4	C3	H5	148.621

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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