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	hartrees
Energy at 0K	-265.557752
Energy at 298.15K	-265.565525
Nuclear repulsion energy	224.976107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3536	41.02
2	A	3281	3166	3.60
3	A	3249	3135	5.71
4	A	3148	3038	3.83
5	A	3077	2969	19.07
6	A	3029	2923	31.92
7	A	1597	1541	37.47
8	A	1522	1469	3.74
9	A	1494	1442	2.10
10	A	1484	1432	5.94
11	A	1441	1391	37.53
12	A	1415	1365	0.39
13	A	1388	1339	1.55
14	A	1274	1229	14.21
15	A	1185	1143	3.86
16	A	1139	1099	1.23
17	A	1104	1065	24.19
18	A	1063	1026	1.34
19	A	1007	972	10.23
20	A	968	934	1.32
21	A	928	896	3.41
22	A	853	823	9.92
23	A	730	704	28.13
24	A	695	671	5.01
25	A	680	656	1.26
26	A	644	622	13.89
27	A	523	504	63.29
28	A	345	333	4.81
29	A	255	246	5.11
30	A	87	84	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.111	-0.024	0.000
H2	2.505	0.489	0.885
H3	2.489	-1.047	-0.001
H4	2.505	0.491	-0.884
N5	-0.166	1.050	0.000
H6	0.157	2.003	-0.001
C7	0.619	-0.071	-0.000
N8	-0.121	-1.159	-0.000
C9	-1.429	-0.726	0.000
H10	-2.252	-1.424	0.000
C11	-1.483	0.640	0.000
H12	-2.299	1.343	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0963	1.0907	1.0963	2.5169	2.8150	1.4921	2.5040	3.6083	4.5816	3.6546	4.6170
H2	1.0963		1.7734	1.7690	2.8685	2.9304	2.1569	3.2243	4.2109	5.2026	4.0876	4.9589
H3	1.0907	1.7734		1.7734	3.3829	3.8391	2.1090	2.6127	3.9311	4.7558	4.3157	5.3518
H4	1.0963	1.7690	1.7734		2.8679	2.9286	2.1569	3.2250	4.2112	5.2032	4.0874	4.9585
N5	2.5169	2.8685	3.3829	2.8679		1.0061	1.3685	2.2095	2.1789	3.2359	1.3796	2.1536
H6	2.8150	2.9304	3.8391	2.9286	1.0061		2.1249	3.1742	3.1557	4.1886	2.1321	2.5432
C7	1.4921	2.1569	2.1090	2.1569	1.3685	2.1249		1.3161	2.1501	3.1738	2.2195	3.2433
N8	2.5040	3.2243	2.6127	3.2250	2.2095	3.1742	1.3161		1.3776	2.1469	2.2568	3.3177
C9	3.6083	4.2109	3.9311	4.2112	2.1789	3.1557	2.1501	1.3776		1.0793	1.3670	2.2446
H10	4.5816	5.2026	4.7558	5.2032	3.2359	4.1886	3.1738	2.1469	1.0793		2.2027	2.7677
C11	3.6546	4.0876	4.3157	4.0874	1.3796	2.1321	2.2195	2.2568	1.3670	2.2027		1.0772
H12	4.6170	4.9589	5.3518	4.9585	2.1536	2.5432	3.2433	3.3177	2.2446	2.7677	1.0772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.186	C1	C7	N8	126.053
H2	C1	H3	108.366	H2	C1	H4	107.563
H2	C1	C7	111.969	H3	C1	H4	108.368
H3	C1	C7	108.488	H4	C1	C7	111.970
N5	C7	N8	110.761	N5	C11	C9	104.990
N5	C11	H12	121.993	H6	N5	C7	126.291
H6	N5	C11	125.974	C7	N5	C11	107.735
C7	N8	C9	105.889	N8	C9	H10	121.335
N8	C9	C11	110.625	C9	C11	H12	133.017
H10	C9	C11	128.041

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

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.496
2	H	0.130
3	H	0.158
4	H	0.129
5	N	-0.269
6	H	0.261
7	C	0.347
8	N	-0.290
9	C	-0.086
10	H	0.104
11	C	-0.111
12	H	0.123

	x	y	z	Total
	0.514	3.455	-0.001	3.494
CHELPG
AIM
ESP

	x	y	z
x	10.220	0.116	0.001
y	0.116	8.139	0.001
z	0.001	0.001	4.530

<r²>	138.720
(<r²>)^1/2	11.778

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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