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	hartrees
Energy at 0K	-225.007333
Energy at 298.15K	-225.011686
HF Energy	-224.267563
Nuclear repulsion energy	153.147898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3142	1.75
2	A₁	3278	3129	9.81
3	A₁	1484	1416	16.19
4	A₁	1340	1279	51.81
5	A₁	1166	1113	28.06
6	A₁	1006	960	1.99
7	A₁	932	889	2.14
8	A₂	759	724	0.00
9	A₂	546	521	0.00
10	B₁	779	743	0.00
11	B₁	747	713	26.56
12	B₁	510	486	27.79
13	B₂	3266	3117	0.58
14	B₂	1560	1489	19.11
15	B₂	1324	1264	0.10
16	B₂	1211	1156	8.65
17	B₂	1015	968	53.03
18	B₂	769	734	1.46

Atom	y (Å)	z (Å)
C1	0.000	1.097
N2	1.166	0.369
N3	-1.166	0.369
C4	0.737	-0.873
C5	-0.737	-0.873
H6	0.000	2.175
H7	1.402	-1.725
H8	-1.402	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3739	1.3739	2.1035	2.1035	1.0787	3.1505	3.1505
N2	1.3739		2.3312	1.3144	2.2728	2.1495	2.1075	3.3131
N3	1.3739	2.3312		2.2728	1.3144	2.1495	3.3131	2.1075
C4	2.1035	1.3144	2.2728		1.4747	3.1366	1.0800	2.3022
C5	2.1035	2.2728	1.3144	1.4747		3.1366	2.3022	1.0800
H6	1.0787	2.1495	2.1495	3.1366	3.1366		4.1444	4.1444
H7	3.1505	2.1075	3.3131	1.0800	2.3022	4.1444		2.8032
H8	3.1505	3.3131	2.1075	2.3022	1.0800	4.1444	2.8032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.947	C1	N3	C5	102.947
N2	C1	N3	116.076	N2	C1	H6	121.962
N2	C4	C5	109.015	N2	C4	H7	123.030
N3	C1	H6	121.962	N3	C5	C4	109.015
N3	C5	H8	123.030	C4	C5	H8	127.955
C5	C4	H7	127.955

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

using model chemistry: CCSD/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/TZVP

States and conformations

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