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	hartrees
Energy at 0K	-113.926297
Energy at 298.15K	-113.928012
HF Energy	-113.754275
Nuclear repulsion energy	56.778311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3605	3143	8.71
2	A'	3413	2976	7.40
3	A'	1715	1495	0.30
4	A'	1408	1227	12.60
5	A'	1148	1001	7.47
6	A'	1023	892	0.92
7	A'	673	587	26.69
8	A"	3593	3133	3.27
9	A"	1507	1314	187.86
10	A"	1149	1002	0.10
11	A"	1066	929	0.33
12	A"	931	812	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	0.915	0.000
H2	0.797	1.638	0.000
C3	-0.041	-0.426	0.670
C4	-0.041	-0.426	-0.670
H5	-0.026	-1.007	1.597
H6	-0.026	-1.007	-1.597

	C1	H2	C3	C4	H5	H6
C1		1.1076	1.4991	1.4991	2.4993	2.4993
H2	1.1076		2.3268	2.3268	3.1983	3.1983
C3	1.4991	2.3268		1.3403	1.0944	2.3407
C4	1.4991	2.3268	1.3403		2.3407	1.0944
H5	2.4993	3.1983	1.0944	2.3407		3.1944
H6	2.4993	3.1983	2.3407	1.0944	3.1944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.447	C1	C3	H5	148.635
C1	C4	C3	63.447	C1	C4	H6	148.635
H2	C1	C3	125.748	H2	C1	C4	125.748
C3	C1	C4	53.106	C3	C4	H6	147.901
C4	C3	H5	147.901

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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