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	hartrees
Energy at 0K	-115.662192
Energy at 298.15K	-115.663938
HF Energy	-115.228787
Nuclear repulsion energy	57.825534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3398	3272
2	A'	3110	2994
3	A'	2178	2097
4	A'	1245	1199
5	A'	1008	971
6	A'	951	916
7	A'	569	548
8	A"	3914	3768
9	A"	2755	2653
10	A"	1291	1243
11	A"	1051	1012
12	A"	791	762

Atom	x (Å)	y (Å)	z (Å)
C1	-0.036	0.890	0.000
H2	0.743	1.652	0.000
C3	-0.036	-0.419	0.660
C4	-0.036	-0.419	-0.660
H5	-0.052	-0.980	1.578
H6	-0.052	-0.980	-1.578

	C1	H2	C3	C4	H5	H6
C1		1.0895	1.4665	1.4665	2.4476	2.4476
H2	1.0895		2.3093	2.3093	3.1705	3.1705
C3	1.4665	2.3093		1.3199	1.0762	2.3075
C4	1.4665	2.3093	1.3199		2.3075	1.0762
H5	2.4476	3.1705	1.0762	2.3075		3.1566
H6	2.4476	3.1705	2.3075	1.0762	3.1566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.256	C1	C3	H5	148.155
C1	C4	C3	63.256	C1	C4	H6	148.155
H2	C1	C3	128.630	H2	C1	C4	128.630
C3	C1	C4	53.489	C3	C4	H6	148.569
C4	C3	H5	148.569

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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