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	hartrees
Energy at 0K	-225.424220
Energy at 298.15K	-225.430304
HF Energy	-224.813922
Nuclear repulsion energy	164.190495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3809	3518	82.46
2	A'	3411	3151	1.84
3	A'	3383	3124	0.43
4	A'	3380	3122	7.45
5	A'	1676	1548	17.22
6	A'	1613	1490	23.68
7	A'	1544	1426	23.82
8	A'	1465	1353	10.24
9	A'	1360	1256	0.66
10	A'	1228	1134	7.42
11	A'	1219	1126	0.99
12	A'	1167	1078	15.59
13	A'	1139	1052	44.06
14	A'	986	911	1.90
15	A'	948	876	7.23
16	A"	909	839	1.92
17	A"	880	813	28.79
18	A"	775	716	38.36
19	A"	709	655	6.45
20	A"	668	617	15.58
21	A"	531	490	122.70

Atom	x (Å)	y (Å)
N1	0.000	1.098
C2	-1.081	0.281
C3	1.113	0.295
N4	-0.741	-0.977
C5	0.633	-0.977
H6	-0.012	2.100
H7	-2.089	0.659
H8	2.110	0.694
H9	1.191	-1.896

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3551	1.3724	2.2030	2.1693	1.0021	2.1344	2.1480	3.2221
C2	1.3551		2.1939	1.3028	2.1258	2.1102	1.0761	3.2172	3.1466
C3	1.3724	2.1939		2.2478	1.3592	2.1268	3.2221	1.0736	2.1921
N4	2.2030	1.3028	2.2478		1.3736	3.1619	2.1191	3.3037	2.1395
C5	2.1693	2.1258	1.3592	1.3736		3.1437	3.1751	2.2296	1.0753
H6	1.0021	2.1102	2.1268	3.1619	3.1437		2.5282	2.5452	4.1730
H7	2.1344	1.0761	3.2221	2.1191	3.1751	2.5282		4.1984	4.1572
H8	2.1480	3.2172	1.0736	3.3037	2.2296	2.5452	4.1984		2.7475
H9	3.2221	3.1466	2.1921	2.1395	1.0753	4.1730	4.1572	2.7475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.949	N1	C2	H7	122.369
N1	C3	C5	105.143	N1	C3	H8	122.373
C2	N1	C3	107.092	C2	N1	H6	126.417
C2	N4	C5	105.146	C3	N1	H6	126.491
C3	C5	N4	110.670	C3	C5	H9	128.042
N4	C2	H7	125.682	N4	C5	H9	121.288
C5	C3	H8	132.484

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)

using model chemistry: CID/6-31G*

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 C3H4N2 (1H-Imidazole)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)