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	hartrees
Energy at 0K	-115.596275
Energy at 298.15K	-115.598014
HF Energy	-115.202351
Nuclear repulsion energy	57.920240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3181	0.62
2	A'	3186	2992	43.54
3	A'	1656	1555	1.15
4	A'	1275	1198	9.56
5	A'	1039	976	11.85
6	A'	956	898	8.31
7	A'	583	547	85.38
8	A"	5527	5191	167406.20
9	A"	3106	2917	4043.16
10	A"	1037	974	16.34
11	A"	1015	953	0.98
12	A"	855	803	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.035	0.886	0.000
H2	0.736	1.650	0.000
C3	-0.035	-0.417	0.661
C4	-0.035	-0.417	-0.661
H5	-0.050	-0.978	1.578
H6	-0.050	-0.978	-1.578

	C1	H2	C3	C4	H5	H6
C1		1.0858	1.4613	1.4613	2.4417	2.4417
H2	1.0858		2.3036	2.3036	3.1641	3.1641
C3	1.4613	2.3036		1.3229	1.0742	2.3083
C4	1.4613	2.3036	1.3229		2.3083	1.0742
H5	2.4417	3.1641	1.0742	2.3083		3.1555
H6	2.4417	3.1641	2.3083	1.0742	3.1555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.087	C1	C3	H5	148.353
C1	C4	C3	63.087	C1	C4	H6	148.353
H2	C1	C3	128.882	H2	C1	C4	128.882
C3	C1	C4	53.827	C3	C4	H6	148.543
C4	C3	H5	148.543

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

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

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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