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	hartrees
Energy at 0K	-225.042605
Energy at 298.15K	-225.046864
HF Energy	-224.266484
Nuclear repulsion energy	152.630090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3266	3144
2	A₁	3252	3130
3	A₁	1450	1396
4	A₁	1322	1273
5	A₁	1151	1107
6	A₁	991	954
7	A₁	917	882
8	A₂	712	686
9	A₂	526	506
10	B₁	757	728
11	B₁	725	698
12	B₁	488	470
13	B₂	3240	3119
14	B₂	1537	1479
15	B₂	1310	1261
16	B₂	1201	1156
17	B₂	997	960
18	B₂	741	713

Atom	y (Å)	z (Å)
C1	0.000	1.099
N2	1.171	0.372
N3	-1.171	0.372
C4	0.738	-0.876
C5	-0.738	-0.876
H6	0.000	2.180
H7	1.404	-1.729
H8	-1.404	-1.729

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3789	1.3789	2.1085	2.1085	1.0809	3.1573	3.1573
N2	1.3789		2.3429	1.3211	2.2808	2.1545	2.1134	3.3234
N3	1.3789	2.3429		2.2808	1.3211	2.1545	3.3234	2.1134
C4	2.1085	1.3211	2.2808		1.4756	3.1439	1.0821	2.3052
C5	2.1085	2.2808	1.3211	1.4756		3.1439	2.3052	1.0821
H6	1.0809	2.1545	2.1545	3.1439	3.1439		4.1533	4.1533
H7	3.1573	2.1134	3.3234	1.0821	2.3052	4.1533		2.8077
H8	3.1573	3.3234	2.1134	2.3052	1.0821	4.1533	2.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.675	C1	N3	C5	102.675
N2	C1	N3	116.324	N2	C1	H6	121.838
N2	C4	C5	109.163	N2	C4	H7	122.845
N3	C1	H6	121.838	N3	C5	C4	109.163
N3	C5	H8	122.845	C4	C5	H8	127.993
C5	C4	H7	127.993

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

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

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