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	hartrees
Energy at 0K	-44.671835
Energy at 298.15K	-44.680021
Nuclear repulsion energy	117.303441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3951	3561	81.89
2	A	3508	3162	11.48
3	A	3480	3137	4.68
4	A	3350	3019	19.80
5	A	3287	2963	56.27
6	A	3220	2903	55.82
7	A	1745	1573	62.07
8	A	1661	1497	9.02
9	A	1630	1469	1.81
10	A	1625	1465	14.83
11	A	1569	1414	0.29
12	A	1549	1396	48.39
13	A	1490	1343	0.97
14	A	1392	1255	25.62
15	A	1256	1132	17.87
16	A	1211	1092	2.12
17	A	1189	1072	2.84
18	A	1187	1070	33.44
19	A	1092	985	17.21
20	A	1055	951	7.02
21	A	1015	915	7.00
22	A	1006	906	2.95
23	A	865	780	77.02
24	A	755	680	13.55
25	A	719	648	2.80
26	A	697	629	163.28
27	A	685	617	5.56
28	A	366	330	6.62
29	A	285	257	9.65
30	A	91	82	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	2.105	-0.047	0.000
H2	2.487	0.463	0.884
H3	2.478	-1.066	-0.001
H4	2.487	0.465	-0.883
N5	-0.195	1.043	0.000
H6	0.124	1.986	-0.001
C7	0.597	-0.088	-0.000
N8	-0.148	-1.177	-0.000
C9	-1.479	-0.750	-0.000
H10	-2.289	-1.448	0.000
C11	-1.529	0.626	0.000
H12	-2.350	1.312	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0903	1.0846	1.0903	2.5453	2.8389	1.5086	2.5203	3.6525	4.6123	3.6960	4.6578
H2	1.0903		1.7669	1.7676	2.8833	2.9477	2.1585	3.2275	4.2412	5.2204	4.1158	4.9903
H3	1.0846	1.7669		1.7669	3.4043	3.8541	2.1197	2.6277	3.9694	4.7822	4.3494	5.3814
H4	1.0903	1.7676	1.7669		2.8827	2.9460	2.1585	3.2281	4.2415	5.2209	4.1156	4.9899
N5	2.5453	2.8833	3.4043	2.8827		0.9957	1.3805	2.2204	2.2052	3.2543	1.3974	2.1717
H6	2.8389	2.9477	3.8541	2.9460	0.9957		2.1272	3.1748	3.1711	4.1972	2.1401	2.5641
C7	1.5086	2.1585	2.1197	2.1585	1.3805	2.1272		1.3196	2.1793	3.1909	2.2429	3.2626
N8	2.5203	3.2275	2.6277	3.2281	2.2204	3.1748	1.3196		1.3983	2.1587	2.2718	3.3235
C9	3.6525	4.2412	3.9694	4.2415	2.2052	3.1711	2.1793	1.3983		1.0694	1.3775	2.2383
H10	4.6123	5.2204	4.7822	5.2209	3.2543	4.1972	3.1909	2.1587	1.0694		2.2096	2.7606
C11	3.6960	4.1158	4.3494	4.1156	1.3974	2.1401	2.2429	2.2718	1.3775	2.2096		1.0695
H12	4.6578	4.9903	5.3814	4.9899	2.1717	2.5641	3.2626	3.3235	2.2383	2.7606	1.0695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.473	C1	C7	N8	125.904
H2	C1	H3	108.663	H2	C1	H4	108.307
H2	C1	C7	111.296	H3	C1	H4	108.662
H3	C1	C7	108.547	H4	C1	C7	111.298
N5	C7	N8	110.622	N5	C11	C9	105.256
N5	C11	H12	122.821	H6	N5	C7	126.307
H6	N5	C11	126.006	C7	N5	C11	107.687
C7	N8	C9	106.578	N8	C9	H10	121.467
N8	C9	C11	109.857	C9	C11	H12	131.923
H10	C9	C11	128.676

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.225
2	H	0.111
3	H	0.162
4	H	0.111
5	N	-0.242
6	H	0.384
7	C	-0.474
8	N	0.090
9	C	-0.229
10	H	0.269
11	C	-0.227
12	H	0.270

	x	y	z	Total
	0.514	4.179	-0.001	4.210
CHELPG
AIM
ESP

	x	y	z
x	8.805	0.149	0.000
y	0.149	7.876	-0.000
z	0.000	-0.000	4.352

<r²>	115.811
(<r²>)^1/2	10.762

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

using model chemistry: HF/CEP-31G

States and conformations

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