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	hartrees
Energy at 0K	-224.902833
Energy at 298.15K	-224.907276
HF Energy	-224.203086
Nuclear repulsion energy	151.800225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3291	3291
2	A₁	3275	3275
3	A₁	1592	1592
4	A₁	1325	1325
5	A₁	1159	1159
6	A₁	994	994
7	A₁	899	899
8	A₂	880	880
9	A₂	568	568
10	B₁	827	827
11	B₁	769	769
12	B₁	513	513
13	B₂	3261	3261
14	B₂	1535	1535
15	B₂	1293	1293
16	B₂	1214	1214
17	B₂	1025	1025
18	B₂	833	833

Atom	y (Å)	z (Å)
C1	0.000	1.102
N2	1.181	0.372
N3	-1.181	0.372
C4	0.741	-0.878
C5	-0.741	-0.878
H6	0.000	2.193
H7	1.414	-1.740
H8	-1.414	-1.740

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3884	1.3884	2.1142	2.1142	1.0916	3.1740	3.1740
N2	1.3884		2.3624	1.3254	2.2934	2.1707	2.1249	3.3460
N3	1.3884	2.3624		2.2934	1.3254	2.1707	3.3460	2.1249
C4	2.1142	1.3254	2.2934		1.4829	3.1597	1.0931	2.3213
C5	2.1142	2.2934	1.3254	1.4829		3.1597	2.3213	1.0931
H6	1.0916	2.1707	2.1707	3.1597	3.1597		4.1797	4.1797
H7	3.1740	2.1249	3.3460	1.0931	2.3213	4.1797		2.8278
H8	3.1740	3.3460	2.1249	2.3213	1.0931	4.1797	2.8278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.325	C1	N3	C5	102.325
N2	C1	N3	116.594	N2	C1	H6	121.703
N2	C4	C5	109.378	N2	C4	H7	122.656
N3	C1	H6	121.703	N3	C5	C4	109.378
N3	C5	H8	122.656	C4	C5	H8	127.966
C5	C4	H7	127.966

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

using model chemistry: ROMP2/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: ROMP2/cc-pVDZ

States and conformations

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