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	hartrees
Energy at 0K	-225.689554
Energy at 298.15K	-225.695414
HF Energy	-224.865369
Nuclear repulsion energy	162.258533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3679	3567
2	A'	3282	3183
3	A'	3255	3156
4	A'	3252	3154
5	A'	1537	1491
6	A'	1499	1453
7	A'	1449	1405
8	A'	1354	1312
9	A'	1270	1232
10	A'	1158	1122
11	A'	1143	1109
12	A'	1092	1059
13	A'	1074	1041
14	A'	929	901
15	A'	893	866
16	A"	814	789
17	A"	788	764
18	A"	691	670
19	A"	667	647
20	A"	626	607
21	A"	466	452

Atom	x (Å)	y (Å)
N1	0.000	1.111
C2	-1.094	0.283
C3	1.126	0.306
N4	-0.748	-0.996
C5	0.638	-0.987
H6	-0.010	2.120
H7	-2.107	0.666
H8	2.126	0.716
H9	1.205	-1.910

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3720	1.3839	2.2361	2.1934	1.0090	2.1538	2.1628	3.2528
C2	1.3720		2.2192	1.3247	2.1477	2.1331	1.0836	3.2490	3.1767
C3	1.3839	2.2192		2.2815	1.3819	2.1402	3.2527	1.0815	2.2177
N4	2.2361	1.3247	2.2815		1.3864	3.2024	2.1470	3.3455	2.1560
C5	2.1934	2.1477	1.3819	1.3864		3.1743	3.2048	2.2614	1.0829
H6	1.0090	2.1331	2.1402	3.2024	3.1743		2.5521	2.5566	4.2095
H7	2.1538	1.0836	3.2527	2.1470	3.2048	2.5521		4.2339	4.1958
H8	2.1628	3.2490	1.0815	3.3455	2.2614	2.5566	4.2339		2.7831
H9	3.2528	3.1767	2.2177	2.1560	1.0829	4.2095	4.1958	2.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.020	N1	C2	H7	122.151
N1	C3	C5	104.940	N1	C3	H8	122.156
C2	N1	C3	107.274	C2	N1	H6	126.577
C2	N4	C5	104.757	C3	N1	H6	126.148
C3	C5	N4	111.008	C3	C5	H9	127.836
N4	C2	H7	125.828	N4	C5	H9	121.156
C5	C3	H8	132.904

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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