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	hartrees
Energy at 0K	-225.169537
Energy at 298.15K
HF Energy	-224.276872
Nuclear repulsion energy	152.826811

Atom	y (Å)	z (Å)
C1	0.000	1.096
N2	1.171	0.372
N3	-1.171	0.372
C4	0.736	-0.875
C5	-0.736	-0.875
H6	0.000	2.176
H7	1.401	-1.728
H8	-1.401	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3762	1.3762	2.1042	2.1042	1.0797	3.1518	3.1518
N2	1.3762		2.3410	1.3209	2.2785	2.1500	2.1122	3.3197
N3	1.3762	2.3410		2.2785	1.3209	2.1500	3.3197	2.1122
C4	2.1042	1.3209	2.2785		1.4722	3.1385	1.0808	2.3007
C5	2.1042	2.2785	1.3209	1.4722		3.1385	2.3007	1.0808
H6	1.0797	2.1500	2.1500	3.1385	3.1385		4.1468	4.1468
H7	3.1518	2.1122	3.3197	1.0808	2.3007	4.1468		2.8019
H8	3.1518	3.3197	2.1122	2.3007	1.0808	4.1468	2.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.532	C1	N3	C5	102.532
N2	C1	N3	116.538	N2	C1	H6	121.731
N2	C4	C5	109.199	N2	C4	H7	122.840
N3	C1	H6	121.731	N3	C5	C4	109.199
N3	C5	H8	122.840	C4	C5	H8	127.961
C5	C4	H7	127.961

All results from a given calculation for C₃H₃N₂ (imidazolyl radical)

using model chemistry: CCSD(T)/cc-pVTZ

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 C3H3N2 (imidazolyl radical)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃N₂ (imidazolyl radical)