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	hartrees
Energy at 0K	-264.693572
Energy at 298.15K	-264.701250
HF Energy	-263.854377
Nuclear repulsion energy	224.488966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3663	3454	61.20
2	A	3331	3141	2.01
3	A	3304	3116	4.31
4	A	3226	3042	2.79
5	A	3175	2994	15.45
6	A	3102	2926	23.44
7	A	1607	1515	29.53
8	A	1568	1478	0.42
9	A	1545	1457	8.56
10	A	1537	1450	3.75
11	A	1493	1408	45.60
12	A	1466	1382	0.64
13	A	1436	1354	0.21
14	A	1313	1238	16.41
15	A	1223	1154	2.18
16	A	1154	1088	9.38
17	A	1139	1074	18.67
18	A	1091	1029	0.90
19	A	1024	966	8.91
20	A	987	931	1.57
21	A	930	877	3.32
22	A	804	758	25.17
23	A	696	656	22.00
24	A	687	648	1.39
25	A	671	633	4.09
26	A	631	595	40.62
27	A	510	481	68.05
28	A	350	330	5.45
29	A	246	232	5.57
30	A	69	65	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	2.111	-0.022	0.000
H2	2.503	0.487	0.887
H3	2.480	-1.048	-0.001
H4	2.503	0.489	-0.885
N5	-0.165	1.052	0.000
H6	0.160	2.011	-0.000
C7	0.621	-0.071	-0.000
N8	-0.122	-1.169	-0.000
C9	-1.429	-0.728	0.000
H10	-2.255	-1.426	0.000
C11	-1.482	0.647	-0.000
H12	-2.301	1.351	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0951	1.0906	1.0951	2.5172	2.8177	1.4908	2.5107	3.6092	4.5861	3.6548	4.6209
H2	1.0951		1.7740	1.7721	2.8677	2.9320	2.1539	3.2283	4.2093	5.2041	4.0855	4.9607
H3	1.0906	1.7740		1.7741	3.3780	3.8395	2.1003	2.6053	3.9217	4.7500	4.3095	5.3495
H4	1.0951	1.7721	1.7741		2.8672	2.9304	2.1539	3.2290	4.2098	5.2047	4.0852	4.9603
N5	2.5172	2.8677	3.3780	2.8672		1.0124	1.3712	2.2217	2.1828	3.2414	1.3778	2.1565
H6	2.8177	2.9320	3.8395	2.9304	1.0124		2.1324	3.1925	3.1662	4.2003	2.1349	2.5479
C7	1.4908	2.1539	2.1003	2.1539	1.3712	2.1324		1.3260	2.1522	3.1790	2.2222	3.2498
N8	2.5107	3.2283	2.6053	3.2290	2.2217	3.1925	1.3260		1.3786	2.1479	2.2684	3.3315
C9	3.6092	4.2093	3.9217	4.2098	2.1828	3.1662	2.1522	1.3786		1.0816	1.3757	2.2550
H10	4.5861	5.2041	4.7500	5.2047	3.2414	4.2003	3.1790	2.1479	1.0816		2.2118	2.7774
C11	3.6548	4.0855	4.3095	4.0852	1.3778	2.1349	2.2222	2.2684	1.3757	2.2118		1.0803
H12	4.6209	4.9607	5.3495	4.9603	2.1565	2.5479	3.2498	3.3315	2.2550	2.7774	1.0803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.113	C1	C7	N8	125.983
H2	C1	H3	108.518	H2	C1	H4	108.020
H2	C1	C7	111.895	H3	C1	H4	108.519
H3	C1	C7	107.896	H4	C1	C7	111.895
N5	C7	N8	110.903	N5	C11	C9	104.884
N5	C11	H12	122.172	H6	N5	C7	126.257
H6	N5	C11	125.864	C7	N5	C11	107.879
C7	N8	C9	105.442	N8	C9	H10	121.168
N8	C9	C11	110.892	C9	C11	H12	132.944
H10	C9	C11	127.940

All results from a given calculation for C₄H₆N₂ (1H-Imidazole, 2-methyl-)

using model chemistry: MP2/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C4H6N2 (1H-Imidazole, 2-methyl-)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₄H₆N₂ (1H-Imidazole, 2-methyl-)