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	hartrees
Energy at 0K	-224.923102
Energy at 298.15K	-224.927505
HF Energy	-224.221022
Nuclear repulsion energy	153.296797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	3111	0.07
2	A₁	3297	3100	17.75
3	A₁	1543	1450	43.90
4	A₁	1381	1299	71.07
5	A₁	1206	1134	46.81
6	A₁	1045	982	10.34
7	A₁	947	891	2.48
8	A₂	993	934	0.00
9	A₂	607	571	0.00
10	B₁	950	893	2.50
11	B₁	872	820	13.16
12	B₁	553	520	36.85
13	B₂	3279	3084	0.17
14	B₂	1663	1563	43.50
15	B₂	1315	1236	0.13
16	B₂	1214	1142	24.59
17	B₂	1006	946	44.27
18	B₂	451	424	0.16

Atom	y (Å)	z (Å)
C1	0.000	1.089
N2	1.170	0.370
N3	-1.170	0.370
C4	0.732	-0.868
C5	-0.732	-0.868
H6	0.000	2.179
H7	1.398	-1.733
H8	-1.398	-1.733

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3731	1.3731	2.0894	2.0894	1.0903	3.1491	3.1491
N2	1.3731		2.3396	1.3134	2.2691	2.1545	2.1153	3.3189
N3	1.3731	2.3396		2.2691	1.3134	2.1545	3.3189	2.1153
C4	2.0894	1.3134	2.2691		1.4634	3.1340	1.0916	2.2984
C5	2.0894	2.2691	1.3134	1.4634		3.1340	2.2984	1.0916
H6	1.0903	2.1545	2.1545	3.1340	3.1340		4.1544	4.1544
H7	3.1491	2.1153	3.3189	1.0916	2.2984	4.1544		2.7957
H8	3.1491	3.3189	2.1153	2.2984	1.0916	4.1544	2.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.090	C1	N3	C5	102.090
N2	C1	N3	116.850	N2	C1	H6	121.575
N2	C4	C5	109.485	N2	C4	H7	122.908
N3	C1	H6	121.575	N3	C5	C4	109.485
N3	C5	H8	122.908	C4	C5	H8	127.607
C5	C4	H7	127.607

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

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

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