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	hartrees
Energy at 0K	-265.012205
Energy at 298.15K	-265.019900
HF Energy	-263.959271
Nuclear repulsion energy	225.241006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3682	3503	65.27
2	A	3317	3156	1.15
3	A	3291	3132	2.76
4	A	3200	3045	1.89
5	A	3149	2996	11.34
6	A	3078	2929	24.82
7	A	1581	1505	27.09
8	A	1525	1451	1.60
9	A	1506	1433	4.71
10	A	1499	1426	7.61
11	A	1455	1384	41.19
12	A	1425	1356	0.60
13	A	1402	1334	0.27
14	A	1290	1227	13.27
15	A	1199	1141	2.73
16	A	1133	1078	7.38
17	A	1114	1060	20.45
18	A	1067	1016	0.27
19	A	1002	954	9.50
20	A	970	923	1.43
21	A	923	878	3.00
22	A	848	806	13.40
23	A	728	693	50.37
24	A	688	654	0.81
25	A	683	650	0.78
26	A	648	616	16.98
27	A	539	513	60.62
28	A	345	328	5.15
29	A	249	237	5.72
30	A	41	39	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	2.107	-0.024	0.000
H2	2.494	0.484	0.883
H3	2.477	-1.045	-0.001
H4	2.494	0.486	-0.882
N5	-0.164	1.047	-0.000
H6	0.162	1.998	-0.001
C7	0.621	-0.070	-0.000
N8	-0.124	-1.163	-0.000
C9	-1.428	-0.726	-0.000
H10	-2.252	-1.417	0.000
C11	-1.477	0.646	0.000
H12	-2.292	1.347	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0896	1.0857	1.0896	2.5108	2.8056	1.4866	2.5050	3.6036	4.5758	3.6464	4.6073
H2	1.0896		1.7659	1.7648	2.8567	2.9173	2.1434	3.2165	4.1979	5.1878	4.0714	4.9422
H3	1.0857	1.7659		1.7659	3.3689	3.8231	2.0963	2.6037	3.9173	4.7430	4.3005	5.3346
H4	1.0896	1.7648	1.7659		2.8561	2.9158	2.1434	3.2172	4.1982	5.1884	4.0713	4.9419
N5	2.5108	2.8567	3.3689	2.8561		1.0050	1.3651	2.2104	2.1776	3.2299	1.3733	2.1488
H6	2.8056	2.9173	3.8231	2.9158	1.0050		2.1180	3.1737	3.1540	4.1820	2.1248	2.5385
C7	1.4866	2.1434	2.0963	2.1434	1.3651	2.1180		1.3230	2.1512	3.1730	2.2171	3.2389
N8	2.5050	3.2165	2.6037	3.2172	2.2104	3.1737	1.3230		1.3746	2.1425	2.2591	3.3161
C9	3.6036	4.1979	3.9173	4.1982	2.1776	3.1540	2.1512	1.3746		1.0754	1.3732	2.2459
H10	4.5758	5.1878	4.7430	5.1884	3.2299	4.1820	3.1730	2.1425	1.0754		2.2039	2.7645
C11	3.6464	4.0714	4.3005	4.0713	1.3733	2.1248	2.2171	2.2591	1.3732	2.2039		1.0743
H12	4.6073	4.9422	5.3346	4.9419	2.1488	2.5385	3.2389	3.3161	2.2459	2.7645	1.0743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.335	C1	C7	N8	126.046
H2	C1	H3	108.546	H2	C1	H4	108.154
H2	C1	C7	111.675	H3	C1	H4	108.547
H3	C1	C7	108.154	H4	C1	C7	111.676
N5	C7	N8	110.619	N5	C11	C9	104.903
N5	C11	H12	122.307	H6	N5	C7	125.984
H6	N5	C11	125.898	C7	N5	C11	108.117
C7	N8	C9	105.763	N8	C9	H10	121.490
N8	C9	C11	110.598	C9	C11	H12	132.791
H10	C9	C11	127.912

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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