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	hartrees
Energy at 0K	-224.947514
Energy at 298.15K	-224.951895
HF Energy	-224.200627
Nuclear repulsion energy	152.350319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3257	3162
2	A₁	3243	3148
3	A₁	1478	1435
4	A₁	1332	1293
5	A₁	1159	1125
6	A₁	1011	982
7	A₁	916	889
8	A₂	843	818
9	A₂	559	542
10	B₁	841	817
11	B₁	759	737
12	B₁	519	504
13	B₂	3232	3137
14	B₂	1553	1507
15	B₂	1311	1272
16	B₂	1203	1168
17	B₂	1006	976
18	B₂	768	745

Atom	y (Å)	z (Å)
C1	0.000	1.100
N2	1.174	0.373
N3	-1.174	0.373
C4	0.737	-0.878
C5	-0.737	-0.878
H6	0.000	2.186
H7	1.407	-1.735
H8	-1.407	-1.735

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3807	1.3807	2.1104	2.1104	1.0866	3.1645	3.1645
N2	1.3807		2.3478	1.3247	2.2840	2.1602	2.1206	3.3322
N3	1.3807	2.3478		2.2840	1.3247	2.1602	3.3322	2.1206
C4	2.1104	1.3247	2.2840		1.4745	3.1516	1.0877	2.3091
C5	2.1104	2.2840	1.3247	1.4745		3.1516	2.3091	1.0877
H6	1.0866	2.1602	2.1602	3.1516	3.1516		4.1660	4.1660
H7	3.1645	2.1206	3.3322	1.0877	2.3091	4.1660		2.8139
H8	3.1645	3.3322	2.1206	2.3091	1.0877	4.1660	2.8139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.517	C1	N3	C5	102.517
N2	C1	N3	116.473	N2	C1	H6	121.763
N2	C4	C5	109.246	N2	C4	H7	122.751
N3	C1	H6	121.763	N3	C5	C4	109.246
N3	C5	H8	122.751	C4	C5	H8	128.002
C5	C4	H7	128.002

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

using model chemistry: CCSD(T)=FULL/6-31G*

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)=FULL/6-31G*

States and conformations

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