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	hartrees
Energy at 0K	-113.974229
Energy at 298.15K
HF Energy	-113.822086
Nuclear repulsion energy	52.969714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3842	3415	101.70
2	A₁	3487	3099	1.05
3	A₁	2809	2497	52.14
4	A₁	1607	1428	10.51
5	A₁	1056	939	11.83
6	B₁	993	883	15.51
7	B₁	499	444	0.34
8	B₁	36i	32i	21.33
9	B₂	3659	3252	0.90
10	B₂	1165	1036	0.16
11	B₂	1051	934	15.38
12	B₂	449	399	2.87

Atom	y (Å)	z (Å)
C1	0.000	-1.265
C2	0.000	0.156
C3	0.000	1.319
H4	0.944	-1.832
H5	-0.944	-1.832
H6	0.000	2.403

	C1	C2	C3	H4	H5	H6
C1		1.4213	2.5841	1.1014	1.1014	3.6685
C2	1.4213		1.1628	2.2009	2.2009	2.2472
C3	2.5841	1.1628		3.2892	3.2892	1.0844
H4	1.1014	2.2009	3.2892		1.8890	4.3391
H5	1.1014	2.2009	3.2892	1.8890		4.3391
H6	3.6685	2.2472	1.0844	4.3391	4.3391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	180.000	C2	C1	H4	120.960
C2	C1	H5	120.960	C2	C3	H6	180.000
H4	C1	H5	118.080

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

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

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=FULL/STO-3G

States and conformations

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