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	hartrees
Energy at 0K	-44.810067
Energy at 298.15K	-44.818089
Nuclear repulsion energy	118.474045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3906	3529	67.11
2	A	3448	3115	9.49
3	A	3420	3089	9.28
4	A	3313	2993	13.66
5	A	3246	2933	38.41
6	A	3191	2883	43.99
7	A	1749	1580	58.96
8	A	1645	1486	8.68
9	A	1628	1471	5.33
10	A	1615	1459	7.15
11	A	1574	1422	54.70
12	A	1545	1396	4.36
13	A	1490	1346	2.02
14	A	1365	1233	14.70
15	A	1246	1125	18.14
16	A	1220	1102	0.30
17	A	1165	1052	31.81
18	A	1159	1047	0.18
19	A	1088	982	13.19
20	A	1043	943	7.20
21	A	992	896	2.18
22	A	984	889	9.16
23	A	823	743	71.47
24	A	744	672	7.75
25	A	711	642	1.67
26	A	683	617	9.69
27	A	520	470	97.17
28	A	367	332	5.59
29	A	274	248	9.66
30	A	81	73	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	2.085	-0.046	0.000
H2	2.463	0.466	0.881
H3	2.461	-1.060	-0.001
H4	2.463	0.469	-0.880
N5	-0.192	1.030	0.001
H6	0.134	1.970	-0.002
C7	0.580	-0.091	0.000
N8	-0.146	-1.167	-0.000
C9	-1.459	-0.737	-0.000
H10	-2.274	-1.434	-0.000
C11	-1.513	0.617	-0.000
H12	-2.331	1.308	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0873	1.0818	1.0873	2.5186	2.8059	1.5054	2.4970	3.6106	4.5746	3.6591	4.6196
H2	1.0873		1.7636	1.7613	2.8536	2.9099	2.1522	3.2019	4.1959	5.1794	4.0757	4.9469
H3	1.0818	1.7636		1.7636	3.3776	3.8211	2.1159	2.6095	3.9332	4.7498	4.3141	5.3461
H4	1.0873	1.7613	1.7636		2.8529	2.9070	2.1522	3.2027	4.1962	5.1800	4.0752	4.9462
N5	2.5186	2.8536	3.3776	2.8529		0.9950	1.3613	2.1971	2.1740	3.2255	1.3841	2.1573
H6	2.8059	2.9099	3.8211	2.9070	0.9950		2.1090	3.1493	3.1407	4.1693	2.1312	2.5520
C7	1.5054	2.1522	2.1159	2.1522	1.3613	2.1090		1.2981	2.1390	3.1544	2.2104	3.2307
N8	2.4970	3.2019	2.6095	3.2027	2.1971	3.1493	1.2981		1.3811	2.1444	2.2478	3.3021
C9	3.6106	4.1959	3.9332	4.1962	2.1740	3.1407	2.1390	1.3811		1.0724	1.3556	2.2242
H10	4.5746	5.1794	4.7498	5.1800	3.2255	4.1693	3.1544	2.1444	1.0724		2.1877	2.7433
C11	3.6591	4.0757	4.3141	4.0752	1.3841	2.1312	2.2104	2.2478	1.3556	2.1877		1.0710
H12	4.6196	4.9469	5.3461	4.9462	2.1573	2.5520	3.2307	3.3021	2.2242	2.7433	1.0710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.862	C1	C7	N8	125.748
H2	C1	H3	108.795	H2	C1	H4	108.180
H2	C1	C7	111.192	H3	C1	H4	108.793
H3	C1	C7	108.629	H4	C1	C7	111.194
N5	C7	N8	111.391	N5	C11	C9	105.025
N5	C11	H12	122.456	H6	N5	C7	126.322
H6	N5	C11	126.438	C7	N5	C11	107.240
C7	N8	C9	105.906	N8	C9	H10	121.347
N8	C9	C11	110.439	C9	C11	H12	132.519
H10	C9	C11	128.214

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	-0.655
2	H	0.174
3	H	0.212
4	H	0.174
5	N	-0.272
6	H	0.394
7	C	0.077
8	N	-0.121
9	C	-0.147
10	H	0.217
11	C	-0.287
12	H	0.233

	x	y	z	Total
	0.637	3.785	-0.003	3.838
CHELPG
AIM
ESP

	x	y	z
x	9.328	0.106	0.000
y	0.106	8.197	-0.000
z	0.000	-0.000	5.122

<r²>	113.642
(<r²>)^1/2	10.660

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-)