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	hartrees
Energy at 0K	-262.626891
Energy at 298.15K	-262.634766
HF Energy	-262.626891
Nuclear repulsion energy	223.931643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3498	3435	40.20
2	A	3241	3182	0.36
3	A	3213	3155	2.33
4	A	3106	3050	0.43
5	A	3041	2986	8.64
6	A	2982	2928	16.58
7	A	1554	1526	50.96
8	A	1494	1467	0.38
9	A	1490	1463	13.98
10	A	1470	1443	4.65
11	A	1395	1370	10.37
12	A	1373	1348	14.89
13	A	1347	1323	8.94
14	A	1269	1246	27.09
15	A	1164	1143	3.88
16	A	1110	1090	15.57
17	A	1085	1066	15.70
18	A	1057	1038	10.12
19	A	990	973	9.90
20	A	954	937	0.80
21	A	929	913	3.93
22	A	874	858	6.72
23	A	739	726	33.52
24	A	697	684	11.52
25	A	684	672	1.27
26	A	658	646	133.60
27	A	650	638	2.34
28	A	326	320	6.00
29	A	251	247	6.96
30	A	118	116	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	2.079	-0.036	0.001
H2	2.468	0.143	1.013
H3	2.446	-1.003	-0.352
H4	2.459	0.755	-0.662
N5	-0.167	1.024	-0.001
H6	0.148	1.959	-0.001
C7	0.618	-0.056	-0.000
N8	-0.138	-1.128	-0.002
C9	-1.406	-0.722	0.001
H10	-2.238	-1.357	0.002
C11	-1.437	0.641	0.001
H12	-2.275	1.267	0.002

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0985	1.0926	1.0999	2.4833	2.7768	1.4611	2.4712	3.5525	4.5152	3.5812	4.5447
H2	1.0985		1.7820	1.7833	2.9571	3.1161	2.1183	3.0712	4.0963	5.0417	4.0648	4.9776
H3	1.0926	1.7820		1.7850	3.3249	3.7652	2.0882	2.6100	3.8786	4.7109	4.2317	5.2498
H4	1.0999	1.7833	1.7850		2.7209	2.6886	2.1176	3.2751	4.1911	5.1932	3.9542	4.8077
N5	2.4833	2.9571	3.3249	2.7209		0.9867	1.3348	2.1525	2.1414	3.1563	1.3271	2.1222
H6	2.7768	3.1161	3.7652	2.6886	0.9867		2.0692	3.1007	3.0992	4.0856	2.0614	2.5198
C7	1.4611	2.1183	2.0882	2.1176	1.3348	2.0692		1.3120	2.1314	3.1390	2.1706	3.1810
N8	2.4712	3.0712	2.6100	3.2751	2.1525	3.1007	1.3120		1.3323	2.1132	2.1958	3.2100
C9	3.5525	4.0963	3.8786	4.1911	2.1414	3.0992	2.1314	1.3323		1.0467	1.3638	2.1700
H10	4.5152	5.0417	4.7109	5.1932	3.1563	4.0856	3.1390	2.1132	1.0467		2.1532	2.6241
C11	3.5812	4.0648	4.2317	3.9542	1.3271	2.0614	2.1706	2.1958	1.3638	2.1532		1.0451
H12	4.5447	4.9776	5.2498	4.8077	2.1222	2.5198	3.1810	3.2100	2.1700	2.6241	1.0451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	125.233	C1	C7	N8	125.947
H2	C1	H3	108.838	H2	C1	H4	108.425
H2	C1	C7	110.906	H3	C1	H4	109.004
H3	C1	C7	108.857	H4	C1	C7	110.768
N5	C7	N8	108.820	N5	C11	C9	105.452
N5	C11	H12	126.509	H6	N5	C7	125.407
H6	N5	C11	125.334	C7	N5	C11	109.259
C7	N8	C9	107.415	N8	C9	H10	124.886
N8	C9	C11	109.054	C9	C11	H12	128.039
H10	C9	C11	126.060

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

using model chemistry: SVWN/3-21G

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: SVWN/3-21G

States and conformations

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