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	hartrees
Energy at 0K	-113.927534
Energy at 298.15K	-113.929249
HF Energy	-113.754328
Nuclear repulsion energy	56.786640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3606	3205	8.72
2	A'	3414	3034	7.40
3	A'	1716	1525	0.30
4	A'	1408	1252	12.64
5	A'	1148	1021	7.48
6	A'	1023	909	0.91
7	A'	673	598	26.65
8	A"	3594	3195	3.45
9	A"	1510	1342	189.99
10	A"	1149	1022	0.10
11	A"	1066	948	0.33
12	A"	931	828	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		1.1075	1.4988	1.4988	2.4990	2.4990
H2	1.1075		2.3265	2.3265	3.1979	3.1979
C3	1.4988	2.3265		1.3401	1.0943	2.3405
C4	1.4988	2.3265	1.3401		2.3405	1.0943
H5	2.4990	3.1979	1.0943	2.3405		3.1941
H6	2.4990	3.1979	2.3405	1.0943	3.1941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.445	C1	C3	H5	148.636
C1	C4	C3	63.445	C1	C4	H6	148.636
H2	C1	C3	125.747	H2	C1	C4	125.747
C3	C1	C4	53.109	C3	C4	H6	147.901
C4	C3	H5	147.901

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

using model chemistry: MP2=FULL/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=FULL/STO-3G

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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