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	hartrees
Energy at 0K	-223.349134
Energy at 298.15K
HF Energy	-222.911317
Nuclear repulsion energy	151.510979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3185	0.04
2	A₁	3305	3155	10.00
3	A₁	1495	1427	102.11
4	A₁	1352	1291	27.33
5	A₁	1076	1027	58.91
6	A₁	967	923	25.27
7	A₁	890	849	18.12
8	A₂	1056	1007	0.00
9	A₂	655	625	0.00
10	B₁	953	910	23.73
11	B₁	865	826	2.86
12	B₁	553	528	52.49
13	B₂	3287	3137	1.07
14	B₂	1565	1493	9.94
15	B₂	1319	1259	1.17
16	B₂	1215	1160	29.00
17	B₂	988	943	50.84
18	B₂	906i	865i	4.23

Atom	y (Å)	z (Å)
C1	0.000	1.132
N2	1.185	0.360
N3	-1.185	0.360
C4	0.733	-0.879
C5	-0.733	-0.879
H6	0.000	2.208
H7	1.383	-1.741
H8	-1.383	-1.741

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.4142	1.4142	2.1405	2.1405	1.0763	3.1881	3.1881
N2	1.4142		2.3698	1.3190	2.2832	2.1955	2.1098	3.3176
N3	1.4142	2.3698		2.2832	1.3190	2.1955	3.3176	2.1098
C4	2.1405	1.3190	2.2832		1.4655	3.1732	1.0792	2.2844
C5	2.1405	2.2832	1.3190	1.4655		3.1732	2.2844	1.0792
H6	1.0763	2.1955	2.1955	3.1732	3.1732		4.1840	4.1840
H7	3.1881	2.1098	3.3176	1.0792	2.2844	4.1840		2.7662
H8	3.1881	3.3176	2.1098	2.2844	1.0792	4.1840	2.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	103.040	C1	N3	C5	103.040
N2	C1	N3	113.829	N2	C1	H6	123.086
N2	C4	C5	110.046	N2	C4	H7	122.900
N3	C1	H6	123.086	N3	C5	C4	110.046
N3	C5	H8	122.900	C4	C5	H8	127.054
C5	C4	H7	127.054

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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