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	hartrees
Energy at 0K	-44.682700
Energy at 298.15K	-44.690909
Nuclear repulsion energy	117.620643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3916	3573	64.12
2	A	3457	3154	9.77
3	A	3428	3128	3.24
4	A	3295	3007	12.12
5	A	3228	2945	38.89
6	A	3157	2881	44.82
7	A	1736	1584	65.86
8	A	1640	1497	2.54
9	A	1627	1485	7.25
10	A	1626	1483	12.07
11	A	1563	1426	0.10
12	A	1545	1410	45.73
13	A	1483	1353	1.00
14	A	1385	1264	21.94
15	A	1249	1140	16.18
16	A	1203	1098	3.40
17	A	1184	1081	1.94
18	A	1181	1078	32.09
19	A	1089	993	18.64
20	A	1051	959	8.41
21	A	1008	919	1.74
22	A	1006	918	8.03
23	A	848	774	71.00
24	A	745	680	6.80
25	A	716	653	2.43
26	A	687	627	60.41
27	A	677	618	96.77
28	A	368	336	6.71
29	A	275	251	8.03
30	A	98	89	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	2.100	-0.047	0.000
H2	2.483	0.462	0.880
H3	2.471	-1.062	-0.000
H4	2.483	0.462	-0.880
N5	-0.195	1.039	0.000
H6	0.123	1.978	-0.001
C7	0.598	-0.087	0.000
N8	-0.147	-1.174	-0.000
C9	-1.478	-0.745	-0.000
H10	-2.284	-1.444	-0.000
C11	-1.526	0.621	0.000
H12	-2.344	1.307	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0868	1.0807	1.0868	2.5386	2.8304	1.5021	2.5129	3.6448	4.6007	3.6871	4.6455
H2	1.0868		1.7602	1.7606	2.8769	2.9403	2.1513	3.2193	4.2329	5.2085	4.1077	4.9787
H3	1.0807	1.7602		1.7602	3.3943	3.8417	2.1115	2.6199	3.9615	4.7703	4.3373	5.3662
H4	1.0868	1.7606	1.7602		2.8769	2.9396	2.1514	3.2194	4.2329	5.2086	4.1077	4.9787
N5	2.5386	2.8769	3.3943	2.8769		0.9913	1.3774	2.2137	2.1977	3.2452	1.3958	2.1661
H6	2.8304	2.9403	3.8417	2.9396	0.9913		2.1195	3.1638	3.1589	4.1838	2.1359	2.5569
C7	1.5021	2.1513	2.1115	2.1514	1.3774	2.1195		1.3174	2.1776	3.1855	2.2394	3.2556
N8	2.5129	3.2193	2.6199	3.2194	2.2137	3.1638	1.3174		1.3987	2.1545	2.2641	3.3139
C9	3.6448	4.2329	3.9615	4.2329	2.1977	3.1589	2.1776	1.3987		1.0670	1.3669	2.2269
H10	4.6007	5.2085	4.7703	5.2086	3.2452	4.1838	3.1855	2.1545	1.0670		2.1996	2.7510
C11	3.6871	4.1077	4.3373	4.1077	1.3958	2.1359	2.2394	2.2641	1.3669	2.1996		1.0670
H12	4.6455	4.9787	5.3662	4.9787	2.1661	2.5569	3.2556	3.3139	2.2269	2.7510	1.0670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.618	C1	C7	N8	125.936
H2	C1	H3	108.604	H2	C1	H4	108.197
H2	C1	C7	111.394	H3	C1	H4	108.599
H3	C1	C7	108.577	H4	C1	C7	111.395
N5	C7	N8	110.446	N5	C11	C9	105.395
N5	C11	H12	122.607	H6	N5	C7	126.185
H6	N5	C11	126.107	C7	N5	C11	107.707
C7	N8	C9	106.556	N8	C9	H10	121.215
N8	C9	C11	109.896	C9	C11	H12	131.999
H10	C9	C11	128.889

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

using model chemistry: HF/CEP-121G

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	-0.620
2	H	0.163
3	H	0.204
4	H	0.163
5	N	-0.404
6	H	0.360
7	C	0.100
8	N	-0.064
9	C	-0.185
10	H	0.193
11	C	-0.125
12	H	0.213

	x	y	z	Total
	0.544	4.102	-0.002	4.138
CHELPG
AIM
ESP

	x	y	z
x	9.172	0.159	0.000
y	0.159	8.123	0.000
z	0.000	0.000	4.931

<r²>	115.356
(<r²>)^1/2	10.740

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

using model chemistry: HF/CEP-121G

States and conformations

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