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	hartrees
Energy at 0K	-115.588148
Energy at 298.15K	-115.589907
HF Energy	-115.197721
Nuclear repulsion energy	57.955222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3169	0.29
2	A'	3185	2976	55.06
3	A'	1671	1561	0.29
4	A'	1293	1208	9.90
5	A'	1066	996	12.79
6	A'	964	901	5.28
7	A'	597	557	61.07
8	A"	7217	6743	473672.40
9	A"	3138	2932	2835.35
10	A"	1052	983	12.52
11	A"	1023	956	0.30
12	A"	865	808	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.887	0.000
H2	0.746	1.640	0.000
C3	-0.037	-0.417	0.660
C4	-0.037	-0.417	-0.660
H5	-0.039	-0.978	1.575
H6	-0.039	-0.978	-1.575

	C1	H2	C3	C4	H5	H6
C1		1.0863	1.4619	1.4619	2.4417	2.4417
H2	1.0863		2.2979	2.2979	3.1546	3.1546
C3	1.4619	2.2979		1.3199	1.0736	2.3046
C4	1.4619	2.2979	1.3199		2.3046	1.0736
H5	2.4417	3.1546	1.0736	2.3046		3.1506
H6	2.4417	3.1546	2.3046	1.0736	3.1506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.165	C1	C3	H5	148.344
C1	C4	C3	63.165	C1	C4	H6	148.344
H2	C1	C3	128.168	H2	C1	C4	128.168
C3	C1	C4	53.670	C3	C4	H6	148.491
C4	C3	H5	148.491

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

using model chemistry: MP2=FULL/6-31G**

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: MP2=FULL/6-31G**

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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