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	hartrees
Energy at 0K	-264.787472
Energy at 298.15K	-264.795175
HF Energy	-263.906703
Nuclear repulsion energy	224.553568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3691	3507	54.03
2	A	3306	3141	3.15
3	A	3280	3117	4.50
4	A	3200	3041	3.54
5	A	3146	2990	17.57
6	A	3075	2922	27.94
7	A	1597	1518	33.49
8	A	1545	1468	0.49
9	A	1520	1444	10.40
10	A	1514	1439	2.91
11	A	1473	1400	43.46
12	A	1447	1375	1.76
13	A	1418	1347	0.05
14	A	1304	1239	15.21
15	A	1210	1150	2.36
16	A	1141	1084	17.54
17	A	1127	1071	13.18
18	A	1072	1019	0.42
19	A	1013	963	10.02
20	A	980	931	1.97
21	A	928	881	3.16
22	A	799	759	27.28
23	A	696	661	27.69
24	A	684	650	1.19
25	A	667	634	14.70
26	A	639	607	37.48
27	A	520	495	62.32
28	A	347	330	5.35
29	A	242	230	5.86
30	A	76	72	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	2.110	-0.022	0.000
H2	2.501	0.488	0.886
H3	2.482	-1.046	-0.001
H4	2.501	0.490	-0.885
N5	-0.166	1.053	0.000
H6	0.157	2.008	-0.000
C7	0.619	-0.071	-0.000
N8	-0.121	-1.169	-0.000
C9	-1.427	-0.730	0.000
H10	-2.252	-1.429	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		1.0944	1.0895	1.0944	2.5169	2.8168	1.4919	2.5090	3.6077	4.5837	3.6537	4.6202
H2	1.0944		1.7719	1.7708	2.8665	2.9312	2.1540	3.2260	4.2074	5.2013	4.0834	4.9594
H3	1.0895	1.7719		1.7719	3.3788	3.8381	2.1028	2.6063	3.9222	4.7498	4.3103	5.3503
H4	1.0944	1.7708	1.7719		2.8659	2.9297	2.1540	3.2267	4.2078	5.2020	4.0832	4.9589
N5	2.5169	2.8665	3.3788	2.8659		1.0076	1.3706	2.2220	2.1841	3.2423	1.3771	2.1564
H6	2.8168	2.9312	3.8381	2.9297	1.0076		2.1291	3.1884	3.1628	4.1966	2.1295	2.5445
C7	1.4919	2.1540	2.1028	2.1540	1.3706	2.1291		1.3243	2.1500	3.1763	2.2202	3.2481
N8	2.5090	3.2260	2.6063	3.2267	2.2220	3.1884	1.3243		1.3778	2.1467	2.2690	3.3315
C9	3.6077	4.2074	3.9222	4.2078	2.1841	3.1628	2.1500	1.3778		1.0811	1.3783	2.2566
H10	4.5837	5.2013	4.7498	5.2020	3.2423	4.1966	3.1763	2.1467	1.0811		2.2145	2.7797
C11	3.6537	4.0834	4.3103	4.0832	1.3771	2.1295	2.2202	2.2690	1.3783	2.2145		1.0800
H12	4.6202	4.9594	5.3503	4.9589	2.1564	2.5445	3.2481	3.3315	2.2566	2.7797	1.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.055	C1	C7	N8	125.874
H2	C1	H3	108.457	H2	C1	H4	108.007
H2	C1	C7	111.867	H3	C1	H4	108.458
H3	C1	C7	108.081	H4	C1	C7	111.868
N5	C7	N8	111.070	N5	C11	C9	104.869
N5	C11	H12	122.251	H6	N5	C7	126.403
H6	N5	C11	125.793	C7	N5	C11	107.804
C7	N8	C9	105.426	N8	C9	H10	121.156
N8	C9	C11	110.830	C9	C11	H12	132.881
H10	C9	C11	128.014

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

using model chemistry: MP2/6-311G*

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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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: MP2/6-311G*

States and conformations

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