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	hartrees
Energy at 0K	-225.493242
Energy at 298.15K	-225.499338
HF Energy	-224.859849
Nuclear repulsion energy	164.312199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3840	3568	71.31
2	A'	3389	3148	2.73
3	A'	3361	3123	0.61
4	A'	3359	3121	7.96
5	A'	1662	1544	18.27
6	A'	1599	1486	23.16
7	A'	1538	1429	19.96
8	A'	1448	1345	8.43
9	A'	1348	1252	0.63
10	A'	1221	1134	6.88
11	A'	1209	1123	1.08
12	A'	1154	1072	19.87
13	A'	1130	1050	45.04
14	A'	986	916	2.26
15	A'	950	882	7.16
16	A"	908	843	0.54
17	A"	885	822	35.39
18	A"	769	714	49.03
19	A"	708	658	8.73
20	A"	669	622	13.64
21	A"	531	493	117.06

Atom	x (Å)	y (Å)
N1	0.000	1.100
C2	-1.079	0.279
C3	1.113	0.296
N4	-0.742	-0.976
C5	0.632	-0.978
H6	-0.011	2.098
H7	-2.087	0.657
H8	2.110	0.693
H9	1.189	-1.897

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3560	1.3731	2.2052	2.1722	0.9976	2.1333	2.1487	3.2248
C2	1.3560		2.1915	1.2993	2.1229	2.1091	1.0763	3.2154	3.1429
C3	1.3731	2.1915		2.2490	1.3610	2.1240	3.2195	1.0735	2.1942
N4	2.2052	1.2993	2.2490		1.3745	3.1597	2.1149	3.3047	2.1397
C5	2.1722	2.1229	1.3610	1.3745		3.1422	3.1722	2.2306	1.0749
H6	0.9976	2.1091	2.1240	3.1597	3.1422		2.5267	2.5440	4.1715
H7	2.1333	1.0763	3.2195	2.1149	3.1722	2.5267		4.1965	4.1535
H8	2.1487	3.2154	1.0735	3.3047	2.2306	2.5440	4.1965		2.7493
H9	3.2248	3.1429	2.1942	2.1397	1.0749	4.1715	4.1535	2.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.281	N1	C2	H7	122.166
N1	C3	C5	105.207	N1	C3	H8	122.381
C2	N1	C3	106.834	C2	N1	H6	126.638
C2	N4	C5	105.077	C3	N1	H6	126.528
C3	C5	N4	110.602	C3	C5	H9	128.135
N4	C2	H7	125.553	N4	C5	H9	121.264
C5	C3	H8	132.413

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

using model chemistry: CID/6-311G*

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/6-311G*

States and conformations

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