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	hartrees
Energy at 0K	-115.575976
Energy at 298.15K	-115.577581
HF Energy	-115.191284
Nuclear repulsion energy	57.759824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3176	0.08
2	A'	3117	2969	57.44
3	A'	1688	1607	0.43
4	A'	1267	1206	9.54
5	A'	1045	995	13.88
6	A'	951	906	5.07
7	A'	592	564	69.37
8	A"	3289	3132	1.86
9	A"	1072	1021	20.20
10	A"	1019	970	4.90
11	A"	849	809	0.42
12	A"	723	689	36.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.037	0.892	0.000
H2	0.748	1.654	0.000
C3	-0.037	-0.420	0.659
C4	-0.037	-0.420	-0.659
H5	-0.040	-0.983	1.581
H6	-0.040	-0.983	-1.581

	C1	H2	C3	C4	H5	H6
C1		1.0941	1.4686	1.4686	2.4535	2.4535
H2	1.0941		2.3137	2.3137	3.1746	3.1746
C3	1.4686	2.3137		1.3177	1.0810	2.3100
C4	1.4686	2.3137	1.3177		2.3100	1.0810
H5	2.4535	3.1746	1.0810	2.3100		3.1629
H6	2.4535	3.1746	2.3100	1.0810	3.1629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.344	C1	C3	H5	148.064
C1	C4	C3	63.344	C1	C4	H6	148.064
H2	C1	C3	128.468	H2	C1	C4	128.468
C3	C1	C4	53.311	C3	C4	H6	148.591
C4	C3	H5	148.591

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

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

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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