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	hartrees
Energy at 0K	-265.386450
Energy at 298.15K	-265.393970
HF Energy	-265.386450
Nuclear repulsion energy	223.503332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3599	3537	28.21
2	A	3233	3178	6.22
3	A	3204	3149	6.72
4	A	3107	3054	5.31
5	A	3035	2983	22.64
6	A	2981	2929	46.05
7	A	1556	1529	35.69
8	A	1486	1460	3.32
9	A	1465	1440	3.96
10	A	1460	1435	8.61
11	A	1402	1378	42.82
12	A	1389	1365	0.64
13	A	1354	1331	0.48
14	A	1248	1227	16.08
15	A	1163	1143	5.40
16	A	1110	1091	3.77
17	A	1078	1059	23.60
18	A	1036	1019	0.62
19	A	983	966	9.55
20	A	943	927	2.69
21	A	912	897	2.77
22	A	817	803	13.92
23	A	689	677	48.46
24	A	671	660	0.60
25	A	661	650	13.65
26	A	620	609	14.61
27	A	486	478	66.64
28	A	341	335	5.14
29	A	236	232	6.52
30	A	40	39	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	2.122	-0.024	0.000
H2	2.516	0.490	0.890
H3	2.500	-1.051	-0.001
H4	2.516	0.492	-0.889
N5	-0.167	1.056	-0.000
H6	0.157	2.015	-0.001
C7	0.628	-0.071	-0.000
N8	-0.122	-1.168	-0.000
C9	-1.438	-0.733	-0.000
H10	-2.264	-1.435	-0.000
C11	-1.494	0.647	0.000
H12	-2.314	1.353	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1005	1.0947	1.1005	2.5310	2.8319	1.4953	2.5194	3.6298	4.6076	3.6774	4.6452
H2	1.1005		1.7801	1.7791	2.8827	2.9470	2.1615	3.2405	4.2330	5.2292	4.1101	4.9868
H3	1.0947	1.7801		1.7802	3.3990	3.8591	2.1135	2.6251	3.9505	4.7793	4.3395	5.3812
H4	1.1005	1.7791	1.7802		2.8820	2.9456	2.1615	3.2411	4.2333	5.2297	4.1100	4.9865
N5	2.5310	2.8827	3.3990	2.8820		1.0117	1.3790	2.2245	2.1946	3.2566	1.3888	2.1680
H6	2.8319	2.9470	3.8591	2.9456	1.0117		2.1383	3.1949	3.1768	4.2145	2.1439	2.5582
C7	1.4953	2.1615	2.1135	2.1615	1.3790	2.1383		1.3289	2.1688	3.1973	2.2393	3.2684
N8	2.5194	3.2405	2.6251	3.2411	2.2245	3.1949	1.3289		1.3852	2.1580	2.2741	3.3404
C9	3.6298	4.2330	3.9505	4.2333	2.1946	3.1768	2.1688	1.3852		1.0844	1.3804	2.2625
H10	4.6076	5.2292	4.7793	5.2297	3.2566	4.2145	3.1973	2.1580	1.0844		2.2195	2.7885
C11	3.6774	4.1101	4.3395	4.1100	1.3888	2.1439	2.2393	2.2741	1.3804	2.2195		1.0829
H12	4.6452	4.9868	5.3812	4.9865	2.1680	2.5582	3.2684	3.3404	2.2625	2.7885	1.0829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.593	C1	C7	N8	126.332
H2	C1	H3	108.339	H2	C1	H4	107.860
H2	C1	C7	111.895	H3	C1	H4	108.340
H3	C1	C7	108.395	H4	C1	C7	111.897
N5	C7	N8	110.075	N5	C11	C9	104.856
N5	C11	H12	122.274	H6	N5	C7	125.965
H6	N5	C11	125.763	C7	N5	C11	108.272
C7	N8	C9	106.441	N8	C9	H10	121.556
N8	C9	C11	110.356	C9	C11	H12	132.871
H10	C9	C11	128.087

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

using model chemistry: B97D3/6-31+G**

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	-0.807
2	H	0.167
3	H	0.195
4	H	0.167
5	N	-0.354
6	H	0.302
7	C	0.437
8	N	-0.273
9	C	-0.035
10	H	0.133
11	C	-0.078
12	H	0.146

	x	y	z	Total
	0.593	3.623	-0.000	3.672
CHELPG
AIM
ESP

	x	y	z
x	11.377	-0.060	0.000
y	-0.060	9.577	0.000
z	0.000	0.000	6.189

<r²>	140.848
(<r²>)^1/2	11.868

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

using model chemistry: B97D3/6-31+G**

States and conformations

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