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	hartrees
Energy at 0K	-224.994885
Energy at 298.15K	-224.999325
HF Energy	-224.251015
Nuclear repulsion energy	152.630081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3118	2.79
2	A₁	3254	3104	10.58
3	A₁	1478	1410	15.49
4	A₁	1327	1266	47.38
5	A₁	1160	1107	25.22
6	A₁	1001	955	1.57
7	A₁	918	876	3.78
8	A₂	868	828	0.00
9	A₂	562	536	0.00
10	B₁	848	809	0.51
11	B₁	770	734	23.66
12	B₁	523	499	30.26
13	B₂	3241	3092	1.13
14	B₂	1549	1478	17.53
15	B₂	1302	1243	0.07
16	B₂	1198	1143	6.43
17	B₂	1011	965	56.54
18	B₂	795	759	0.34

Atom	y (Å)	z (Å)
C1	0.000	1.097
N2	1.171	0.371
N3	-1.171	0.371
C4	0.741	-0.875
C5	-0.741	-0.875
H6	0.000	2.180
H7	1.409	-1.730
H8	-1.409	-1.730

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3776	1.3776	2.1071	2.1071	1.0831	3.1585	3.1585
N2	1.3776		2.3419	1.3191	2.2823	2.1548	2.1147	3.3271
N3	1.3776	2.3419		2.2823	1.3191	2.1548	3.3271	2.1147
C4	2.1071	1.3191	2.2823		1.4812	3.1442	1.0845	2.3127
C5	2.1071	2.2823	1.3191	1.4812		3.1442	2.3127	1.0845
H6	1.0831	2.1548	2.1548	3.1442	3.1442		4.1561	4.1561
H7	3.1585	2.1147	3.3271	1.0845	2.3127	4.1561		2.8171
H8	3.1585	3.3271	2.1147	2.3127	1.0845	4.1561	2.8171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.748	C1	N3	C5	102.748
N2	C1	N3	116.419	N2	C1	H6	121.791
N2	C4	C5	109.042	N2	C4	H7	122.941
N3	C1	H6	121.791	N3	C5	C4	109.042
N3	C5	H8	122.941	C4	C5	H8	128.017
C5	C4	H7	128.017

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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