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	hartrees
Energy at 0K	-265.505612
Energy at 298.15K	-265.513216
Nuclear repulsion energy	223.009129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3533	3519	23.99
2	A	3186	3174	6.44
3	A	3158	3145	7.15
4	A	3058	3046	5.95
5	A	2983	2971	26.32
6	A	2945	2934	41.53
7	A	1527	1521	33.68
8	A	1468	1462	0.68
9	A	1450	1445	7.35
10	A	1442	1436	6.60
11	A	1379	1374	32.73
12	A	1375	1370	0.94
13	A	1331	1325	1.37
14	A	1225	1220	16.47
15	A	1133	1129	5.66
16	A	1096	1092	1.40
17	A	1062	1058	20.95
18	A	1032	1028	0.83
19	A	975	971	12.27
20	A	933	929	2.33
21	A	901	897	3.17
22	A	816	813	11.46
23	A	692	690	37.97
24	A	664	662	8.46
25	A	656	654	1.13
26	A	622	620	13.66
27	A	497	495	64.20
28	A	338	337	4.78
29	A	239	238	5.27
30	A	82	81	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	2.129	-0.022	0.000
H2	2.526	0.492	0.890
H3	2.505	-1.051	-0.000
H4	2.526	0.493	-0.889
N5	-0.171	1.061	0.000
H6	0.145	2.026	-0.000
C7	0.628	-0.069	-0.000
N8	-0.118	-1.169	-0.000
C9	-1.438	-0.735	-0.000
H10	-2.262	-1.441	0.000
C11	-1.500	0.642	0.000
H12	-2.325	1.345	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1018	1.0955	1.1018	2.5428	2.8520	1.5021	2.5231	3.6375	4.6147	3.6889	4.6586
H2	1.1018		1.7814	1.7792	2.8973	2.9699	2.1707	3.2474	4.2442	5.2401	4.1259	5.0051
H3	1.0955	1.7814		1.7814	3.4099	3.8786	2.1189	2.6264	3.9559	4.7835	4.3483	5.3915
H4	1.1018	1.7792	1.7814		2.8970	2.9691	2.1707	3.2478	4.2444	5.2404	4.1259	5.0048
N5	2.5428	2.8973	3.4099	2.8970		1.0155	1.3845	2.2313	2.1982	3.2611	1.3928	2.1717
H6	2.8520	2.9699	3.8786	2.9691	1.0155		2.1506	3.2065	3.1831	4.2212	2.1494	2.5614
C7	1.5021	2.1707	2.1189	2.1707	1.3845	2.1506		1.3291	2.1703	3.1989	2.2431	3.2734
N8	2.5231	3.2474	2.6264	3.2478	2.2313	3.2065	1.3291		1.3891	2.1610	2.2781	3.3450
C9	3.6375	4.2442	3.9559	4.2444	2.1982	3.1831	2.1703	1.3891		1.0852	1.3790	2.2614
H10	4.6147	5.2401	4.7835	5.2404	3.2611	4.2212	3.1989	2.1610	1.0852		2.2187	2.7871
C11	3.6889	4.1259	4.3483	4.1259	1.3928	2.1494	2.2431	2.2781	1.3790	2.2187		1.0836
H12	4.6586	5.0051	5.3915	5.0048	2.1717	2.5614	3.2734	3.3450	2.2614	2.7871	1.0836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.453	C1	C7	N8	125.939
H2	C1	H3	108.329	H2	C1	H4	107.688
H2	C1	C7	112.035	H3	C1	H4	108.330
H3	C1	C7	108.300	H4	C1	C7	112.036
N5	C7	N8	110.609	N5	C11	C9	104.946
N5	C11	H12	122.057	H6	N5	C7	126.617
H6	N5	C11	125.645	C7	N5	C11	107.738
C7	N8	C9	105.939	N8	C9	H10	121.214
N8	C9	C11	110.769	C9	C11	H12	132.997
H10	C9	C11	128.017

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

using model chemistry: BLYP/6-311G**

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	-0.272
2	H	0.114
3	H	0.132
4	H	0.114
5	N	-0.332
6	H	0.214
7	C	0.205
8	N	-0.285
9	C	-0.076
10	H	0.086
11	C	0.007
12	H	0.092

	x	y	z	Total
	0.494	3.477	-0.000	3.512
CHELPG
AIM
ESP

	x	y	z
x	10.981	0.063	0.000
y	0.063	8.719	0.000
z	0.000	0.000	4.916

<r²>	141.344
(<r²>)^1/2	11.889

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

using model chemistry: BLYP/6-311G**

States and conformations

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