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	hartrees
Energy at 0K	-18.290745
Energy at 298.15K	-18.291911
HF Energy	-18.069843
Nuclear repulsion energy	27.228462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3488	3404	52.90
2	A₁	3146	3071	9.02
3	A₁	2299	2243	0.34
4	A₁	1497	1461	0.02
5	A₁	1021	996	9.75
6	B₁	705	688	97.33
7	B₁	586	572	62.33
8	B₁	448	438	23.87
9	B₂	3277	3199	5.17
10	B₂	1110	1084	0.03
11	B₂	940	918	87.65
12	B₂	446	436	16.27

Atom	y (Å)	z (Å)
C1	0.000	-1.259
C2	0.000	0.170
C3	0.000	1.381
H4	0.940	-1.808
H5	-0.940	-1.808
H6	0.000	2.448

	C1	C2	C3	H4	H5	H6
C1		1.4290	2.6399	1.0884	1.0884	3.7069
C2	1.4290		1.2109	2.1903	2.1903	2.2779
C3	2.6399	1.2109		3.3249	3.3249	1.0670
H4	1.0884	2.1903	3.3249		1.8791	4.3588
H5	1.0884	2.1903	3.3249	1.8791		4.3588
H6	3.7069	2.2779	1.0670	4.3588	4.3588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	180.000	C2	C1	H4	120.320
C2	C1	H5	120.320	C2	C3	H6	180.000
H4	C1	H5	119.360

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

using model chemistry: MP2/CEP-121G

States and conformations

	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 (Propargyl radical)

using model chemistry: MP2/CEP-121G

States and conformations

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