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	hartrees
Energy at 0K	-114.802879
Energy at 298.15K	-114.804435
HF Energy	-114.525746
Nuclear repulsion energy	56.853383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3182	0.41
2	A'	3126	3004	33.19
3	A'	1591	1529	0.20
4	A'	1155	1110	13.13
5	A'	1017	978	6.08
6	A'	935	899	2.18
7	A'	631	607	93.26
8	A"	3266	3138	0.34
9	A"	1107	1064	20.37
10	A"	1019	979	14.39
11	A"	854	821	0.26
12	A"	594	571	25.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.038	0.924	0.000
H2	0.760	1.667	0.000
C3	-0.038	-0.434	0.664
C4	-0.038	-0.434	-0.664
H5	-0.041	-1.005	1.576
H6	-0.041	-1.005	-1.576

	C1	H2	C3	C4	H5	H6
C1		1.0897	1.5118	1.5118	2.4916	2.4916
H2	1.0897		2.3429	2.3429	3.2039	3.2039
C3	1.5118	2.3429		1.3290	1.0762	2.3126
C4	1.5118	2.3429	1.3290		2.3126	1.0762
H5	2.4916	3.2039	1.0762	2.3126		3.1528
H6	2.4916	3.2039	2.3126	1.0762	3.1528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	63.927	C1	C3	H5	148.151
C1	C4	C3	63.927	C1	C4	H6	148.151
H2	C1	C3	127.722	H2	C1	C4	127.722
C3	C1	C4	52.147	C3	C4	H6	147.922
C4	C3	H5	147.922

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

Conformer 1 (D3H)

Conformer 2 (CS)

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