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	hartrees
Energy at 0K	-115.601597
Energy at 298.15K	-115.603149
HF Energy	-115.201651
Nuclear repulsion energy	57.220094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	3184	0.36
2	A'	3106	2980	53.40
3	A'	1656	1588	0.68
4	A'	1242	1192	8.35
5	A'	1009	969	16.17
6	A'	923	886	4.13
7	A'	601	577	62.11
8	A"	3269	3136	9.83
9	A"	1041	999	18.33
10	A"	984	944	2.95
11	A"	853	818	0.19
12	A"	615	590	68.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	0.901	0.000
H2	0.757	1.667	0.000
C3	-0.038	-0.424	0.666
C4	-0.038	-0.424	-0.666
H5	-0.038	-0.994	1.594
H6	-0.038	-0.994	-1.594

	C1	H2	C3	C4	H5	H6
C1		1.1039	1.4826	1.4826	2.4767	2.4767
H2	1.1039		2.3335	2.3335	3.2023	3.2023
C3	1.4826	2.3335		1.3310	1.0899	2.3306
C4	1.4826	2.3335	1.3310		2.3306	1.0899
H5	2.4767	3.2023	1.0899	2.3306		3.1882
H6	2.4767	3.2023	2.3306	1.0899	3.1882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.328	C1	C3	H5	148.246
C1	C4	C3	63.328	C1	C4	H6	148.246
H2	C1	C3	128.295	H2	C1	C4	128.295
C3	C1	C4	53.345	C3	C4	H6	148.426
C4	C3	H5	148.426

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

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

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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