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	hartrees
Energy at 0K	-224.934653
Energy at 298.15K
HF Energy	-224.245341
Nuclear repulsion energy	154.095094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3125	0.00
2	A₁	3276	3113	25.81
3	A₁	1497	1423	63.32
4	A₁	1400	1331	71.97
5	A₁	1221	1161	61.37
6	A₁	1069	1016	16.55
7	A₁	942	895	2.18
8	A₂	1003	953	0.00
9	A₂	606	576	0.00
10	B₁	961	913	2.54
11	B₁	886	842	16.39
12	B₁	526	500	43.28
13	B₂	3259	3097	0.01
14	B₂	1675	1592	64.65
15	B₂	1314	1249	0.28
16	B₂	1225	1164	41.89
17	B₂	996	946	46.44
18	B₂	294i	279i	0.41

Atom	y (Å)	z (Å)
C1	0.000	1.076
N2	1.167	0.368
N3	-1.167	0.368
C4	0.728	-0.861
C5	-0.728	-0.861
H6	0.000	2.159
H7	1.392	-1.718
H8	-1.392	-1.718

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3644	1.3644	2.0686	2.0686	1.0831	3.1212	3.1212
N2	1.3644		2.3333	1.3049	2.2580	2.1371	2.0984	3.3011
N3	1.3644	2.3333		2.2580	1.3049	2.1371	3.3011	2.0984
C4	2.0686	1.3049	2.2580		1.4553	3.1059	1.0845	2.2861
C5	2.0686	2.2580	1.3049	1.4553		3.1059	2.2861	1.0845
H6	1.0831	2.1371	2.1371	3.1059	3.1059		4.1191	4.1191
H7	3.1212	2.0984	3.3011	1.0845	2.2861	4.1191		2.7831
H8	3.1212	3.3011	2.0984	2.2861	1.0845	4.1191	2.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.577	C1	N3	C5	101.577
N2	C1	N3	117.530	N2	C1	H6	121.235
N2	C4	C5	109.658	N2	C4	H7	122.595
N3	C1	H6	121.235	N3	C5	C4	109.658
N3	C5	H8	122.595	C4	C5	H8	127.747
C5	C4	H7	127.747

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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