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	hartrees
Energy at 0K	-224.930447
Energy at 298.15K	-224.934899
HF Energy	-224.219520
Nuclear repulsion energy	151.908900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3141	2.78
2	A₁	3261	3129	9.86
3	A₁	1488	1427	14.72
4	A₁	1321	1267	43.65
5	A₁	1159	1112	24.68
6	A₁	1000	959	1.74
7	A₁	915	878	4.16
8	A₂	879	843	0.00
9	A₂	567	544	0.00
10	B₁	858	824	0.61
11	B₁	771	740	21.34
12	B₁	528	506	28.36
13	B₂	3247	3115	1.35
14	B₂	1552	1489	16.71
15	B₂	1297	1245	0.00
16	B₂	1191	1142	5.04
17	B₂	1011	970	57.33
18	B₂	805	772	0.02

Atom	y (Å)	z (Å)
C1	0.000	1.100
N2	1.178	0.374
N3	-1.178	0.374
C4	0.743	-0.879
C5	-0.743	-0.879
H6	0.000	2.192
H7	1.416	-1.741
H8	-1.416	-1.741

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3834	1.3834	2.1135	2.1135	1.0926	3.1743	3.1743
N2	1.3834		2.3551	1.3259	2.2929	2.1665	2.1285	3.3465
N3	1.3834	2.3551		2.2929	1.3259	2.1665	3.3465	2.1285
C4	2.1135	1.3259	2.2929		1.4859	3.1598	1.0939	2.3247
C5	2.1135	2.2929	1.3259	1.4859		3.1598	2.3247	1.0939
H6	1.0926	2.1665	2.1665	3.1598	3.1598		4.1807	4.1807
H7	3.1743	2.1285	3.3465	1.0939	2.3247	4.1807		2.8316
H8	3.1743	3.3465	2.1285	2.3247	1.0939	4.1807	2.8316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.519	C1	N3	C5	102.519
N2	C1	N3	116.691	N2	C1	H6	121.654
N2	C4	C5	109.135	N2	C4	H7	122.907
N3	C1	H6	121.654	N3	C5	C4	109.135
N3	C5	H8	122.907	C4	C5	H8	127.958
C5	C4	H7	127.958

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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