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	hartrees
Energy at 0K	-115.637776
Energy at 298.15K	-115.639383
HF Energy	-115.219515
Nuclear repulsion energy	57.675953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3172	0.31
2	A'	3108	2966	51.93
3	A'	1654	1578	0.82
4	A'	1244	1187	7.71
5	A'	1021	974	15.01
6	A'	938	895	4.73
7	A'	610	582	72.10
8	A"	3275	3125	5.36
9	A"	1055	1006	20.38
10	A"	1001	956	4.28
11	A"	866	826	0.24
12	A"	682	651	50.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.895	0.000
H2	0.747	1.656	0.000
C3	-0.037	-0.421	0.660
C4	-0.037	-0.421	-0.660
H5	-0.040	-0.984	1.580
H6	-0.040	-0.984	-1.580

	C1	H2	C3	C4	H5	H6
C1		1.0924	1.4725	1.4725	2.4556	2.4556
H2	1.0924		2.3162	2.3162	3.1762	3.1762
C3	1.4725	2.3162		1.3199	1.0790	2.3100
C4	1.4725	2.3162	1.3199		2.3100	1.0790
H5	2.4556	3.1762	1.0790	2.3100		3.1608
H6	2.4556	3.1762	2.3100	1.0790	3.1608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.373	C1	C3	H5	148.080
C1	C4	C3	63.373	C1	C4	H6	148.080
H2	C1	C3	128.505	H2	C1	C4	128.505
C3	C1	C4	53.255	C3	C4	H6	148.546
C4	C3	H5	148.546

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)