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	hartrees
Energy at 0K	-265.542547
Energy at 298.15K	-265.550379
Nuclear repulsion energy	225.766277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3698	3538	51.39
2	A	3297	3155	2.73
3	A	3265	3124	5.89
4	A	3175	3037	3.63
5	A	3109	2974	18.62
6	A	3052	2920	30.84
7	A	1624	1554	43.60
8	A	1539	1473	4.50
9	A	1510	1445	5.31
10	A	1486	1421	9.26
11	A	1456	1393	40.78
12	A	1427	1365	0.54
13	A	1400	1339	0.52
14	A	1290	1234	14.91
15	A	1205	1153	3.96
16	A	1146	1096	4.20
17	A	1115	1067	30.06
18	A	1063	1017	1.51
19	A	1015	971	9.22
20	A	974	932	1.93
21	A	936	896	2.87
22	A	877	839	9.58
23	A	740	708	49.16
24	A	700	670	4.89
25	A	689	659	1.01
26	A	652	623	14.25
27	A	549	525	72.10
28	A	349	334	5.36
29	A	255	244	6.21
30	A	80	77	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-2.103	-0.023	0.000
H2	-2.494	0.489	-0.884
H3	-2.474	-1.045	-0.002
H4	-2.495	0.486	0.885
N5	0.168	1.047	-0.000
H6	-0.152	1.999	0.001
C7	-0.617	-0.068	0.000
N8	0.118	-1.154	-0.000
C9	1.420	-0.727	0.000
H10	2.241	-1.426	0.000
C11	1.479	0.637	-0.000
H12	2.301	1.332	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0936	1.0880	1.0936	2.5098	2.8098	1.4866	2.4919	3.5925	4.5649	3.6419	4.6075
H2	1.0936		1.7697	1.7687	2.8596	2.9240	2.1484	3.2096	4.1930	5.1839	4.0728	4.9483
H3	1.0880	1.7697		1.7697	3.3702	3.8294	2.0991	2.5945	3.9077	4.7311	4.2965	5.3346
H4	1.0936	1.7687	1.7697		2.8611	2.9257	2.1485	3.2088	4.1926	5.1833	4.0738	4.9493
N5	2.5098	2.8596	3.3702	2.8611		1.0048	1.3632	2.2014	2.1712	3.2272	1.3739	2.1523
H6	2.8098	2.9240	3.8294	2.9257	1.0048		2.1190	3.1649	3.1470	4.1788	2.1254	2.5421
C7	1.4866	2.1484	2.0991	2.1485	1.3632	2.1190		1.3111	2.1408	3.1643	2.2111	3.2364
N8	2.4919	3.2096	2.5945	3.2088	2.2014	3.1649	1.3111		1.3708	2.1409	2.2494	3.3088
C9	3.5925	4.1930	3.9077	4.1926	2.1712	3.1470	2.1408	1.3708		1.0786	1.3647	2.2395
H10	4.5649	5.1839	4.7311	5.1833	3.2272	4.1788	3.1643	2.1409	1.0786		2.1992	2.7590
C11	3.6419	4.0728	4.2965	4.0738	1.3739	2.1254	2.2111	2.2494	1.3647	2.1992		1.0767
H12	4.6075	4.9483	5.3346	4.9493	2.1523	2.5421	3.2364	3.3088	2.2395	2.7590	1.0767

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

using model chemistry: mPW1PW91/6-311G**

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: mPW1PW91/6-311G**

States and conformations

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