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	hartrees
Energy at 0K	-262.191949
Energy at 298.15K	-262.199265
Nuclear repulsion energy	219.328364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3755	3351	40.16
2	A	3523	3144	13.10
3	A	3491	3115	13.59
4	A	3490	3114	1.62
5	A	3448	3077	0.44
6	A	3302	2946	1.40
7	A	1673	1493	5.37
8	A	1661	1482	6.68
9	A	1647	1469	21.80
10	A	1589	1418	4.98
11	A	1557	1389	3.02
12	A	1508	1346	14.26
13	A	1464	1306	2.64
14	A	1311	1170	22.80
15	A	1187	1059	1.92
16	A	1159	1034	5.03
17	A	1141	1018	3.98
18	A	1130	1008	7.67
19	A	1050	937	1.36
20	A	990	883	2.41
21	A	934	834	1.32
22	A	898	801	1.91
23	A	768	685	18.94
24	A	683	609	1.64
25	A	650	580	0.34
26	A	636	568	11.96
27	A	457	408	74.32
28	A	333	297	3.16
29	A	249	222	3.84
30	A	101	90	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	2.162	-0.016	-0.000
H2	2.542	0.507	0.895
H3	2.554	-1.043	-0.001
H4	2.542	0.508	-0.894
N5	-0.172	1.079	0.000
H6	0.158	2.070	0.000
C7	0.637	-0.079	-0.000
N8	-0.119	-1.217	-0.000
C9	-1.466	-0.727	-0.000
H10	-2.311	-1.423	-0.000
C11	-1.517	0.652	0.000
H12	-2.344	1.367	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1035	1.0998	1.1035	2.5772	2.8924	1.5259	2.5776	3.6967	4.6888	3.7391	4.7135
H2	1.1035		1.7898	1.7883	2.9139	2.9882	2.1846	3.2942	4.2878	5.2986	4.1593	5.0416
H3	1.0998	1.7898		1.7899	3.4544	3.9287	2.1458	2.6789	4.0326	4.8799	4.4102	5.4596
H4	1.1035	1.7883	1.7899		2.9134	2.9871	2.1846	3.2947	4.2881	5.2990	4.1590	5.0412
N5	2.5772	2.9139	3.4544	2.9134		1.0442	1.4125	2.2964	2.2219	3.2922	1.4121	2.1919
H6	2.8924	2.9882	3.9287	2.9871	1.0442		2.2020	3.2984	3.2340	4.2775	2.1949	2.5988
C7	1.5259	2.1846	2.1458	2.1846	1.4125	2.2020		1.3659	2.2005	3.2399	2.2750	3.3139
N8	2.5776	3.2942	2.6789	3.2947	2.2964	3.2984	1.3659		1.4332	2.2015	2.3338	3.4104
C9	3.6967	4.2878	4.0326	4.2881	2.2219	3.2340	2.2005	1.4332		1.0949	1.3795	2.2712
H10	4.6888	5.2986	4.8799	5.2990	3.2922	4.2775	3.2399	2.2015	1.0949		2.2216	2.7911
C11	3.7391	4.1593	4.4102	4.1590	1.4121	2.1949	2.2750	2.3338	1.3795	2.2216		1.0938
H12	4.7135	5.0416	5.4596	5.0412	2.1919	2.5988	3.3139	3.4104	2.2712	2.7911	1.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.535	C1	C7	N8	125.994
H2	C1	H3	108.647	H2	C1	H4	108.245
H2	C1	C7	111.352	H3	C1	H4	108.648
H3	C1	C7	108.526	H4	C1	C7	111.352
N5	C7	N8	111.471	N5	C11	C9	105.478
N5	C11	H12	121.505	H6	N5	C7	126.705
H6	N5	C11	125.990	C7	N5	C11	107.306
C7	N8	C9	103.622	N8	C9	H10	120.513
N8	C9	C11	112.123	C9	C11	H12	133.017
H10	C9	C11	127.364

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

using model chemistry: B3LYP/STO-3G

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	-0.230
2	H	0.085
3	H	0.104
4	H	0.085
5	N	-0.270
6	H	0.226
7	C	0.149
8	N	-0.251
9	C	-0.045
10	H	0.082
11	C	-0.027
12	H	0.090

	x	y	z	Total
	0.510	3.474	0.000	3.511
CHELPG
AIM
ESP

	x	y	z
x	6.461	0.231	0.000
y	0.231	5.108	0.000
z	0.000	0.000	1.592

<r²>	143.311
(<r²>)^1/2	11.971

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

using model chemistry: B3LYP/STO-3G

States and conformations

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