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	hartrees
Energy at 0K	-115.571563
Energy at 298.15K	-115.573307
HF Energy	-115.191529
Nuclear repulsion energy	57.849436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3168	0.14
2	A'	3131	2963	54.11
3	A'	1710	1618	0.24
4	A'	1281	1213	10.43
5	A'	1052	995	14.27
6	A'	957	906	5.23
7	A'	597	565	69.89
8	A"	4181	3958	33885.51
9	A"	2954	2796	5325.14
10	A"	1043	987	12.92
11	A"	1016	961	0.00
12	A"	860	814	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.891	0.000
H2	0.747	1.653	0.000
C3	-0.037	-0.419	0.658
C4	-0.037	-0.419	-0.658
H5	-0.039	-0.982	1.580
H6	-0.039	-0.982	-1.580

	C1	H2	C3	C4	H5	H6
C1		1.0935	1.4658	1.4658	2.4501	2.4501
H2	1.0935		2.3113	2.3113	3.1715	3.1715
C3	1.4658	2.3113		1.3154	1.0805	2.3075
C4	1.4658	2.3113	1.3154		2.3075	1.0805
H5	2.4501	3.1715	1.0805	2.3075		3.1604
H6	2.4501	3.1715	2.3075	1.0805	3.1604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.339	C1	C3	H5	148.035
C1	C4	C3	63.339	C1	C4	H6	148.035
H2	C1	C3	128.551	H2	C1	C4	128.551
C3	C1	C4	53.322	C3	C4	H6	148.625
C4	C3	H5	148.625

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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