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	hartrees
Energy at 0K	-225.131945
Energy at 298.15K	-225.136215
HF Energy	-224.266683
Nuclear repulsion energy	152.726622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3267	3123
2	A₁	3251	3108
3	A₁	1452	1388
4	A₁	1324	1266
5	A₁	1152	1101
6	A₁	992	948
7	A₁	918	878
8	A₂	720	688
9	A₂	527	504
10	B₁	761	727
11	B₁	729	697
12	B₁	490	468
13	B₂	3240	3097
14	B₂	1538	1470
15	B₂	1311	1254
16	B₂	1202	1149
17	B₂	998	955
18	B₂	742	710

Atom	y (Å)	z (Å)
C1	0.000	1.098
N2	1.170	0.371
N3	-1.170	0.371
C4	0.737	-0.876
C5	-0.737	-0.876
H6	0.000	2.179
H7	1.403	-1.728
H8	-1.403	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3780	1.3780	2.1075	2.1075	1.0801	3.1557	3.1557
N2	1.3780		2.3409	1.3201	2.2793	2.1532	2.1122	3.3213
N3	1.3780	2.3409		2.2793	1.3201	2.1532	3.3213	2.1122
C4	2.1075	1.3201	2.2793		1.4749	3.1422	1.0815	2.3041
C5	2.1075	2.2793	1.3201	1.4749		3.1422	2.3041	1.0815
H6	1.0801	2.1532	2.1532	3.1422	3.1422		4.1510	4.1510
H7	3.1557	2.1122	3.3213	1.0815	2.3041	4.1510		2.8064
H8	3.1557	3.3213	2.1122	2.3041	1.0815	4.1510	2.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.704	C1	N3	C5	102.704
N2	C1	N3	116.297	N2	C1	H6	121.852
N2	C4	C5	109.148	N2	C4	H7	122.856
N3	C1	H6	121.852	N3	C5	C4	109.148
N3	C5	H8	122.856	C4	C5	H8	127.996
C5	C4	H7	127.996

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

using model chemistry: CCSD(T)=FULL/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)=FULL/TZVP

States and conformations

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