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	hartrees
Energy at 0K	-263.956579
Energy at 298.15K	-263.964692
Nuclear repulsion energy	227.334377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3904	3555	78.42
2	A	3427	3120	3.26
3	A	3397	3093	5.34
4	A	3278	2984	7.40
5	A	3211	2923	23.71
6	A	3165	2882	30.53
7	A	1757	1600	59.28
8	A	1657	1509	15.10
9	A	1623	1477	12.68
10	A	1603	1460	6.57
11	A	1573	1432	46.05
12	A	1541	1403	1.34
13	A	1494	1360	2.97
14	A	1373	1250	15.20
15	A	1244	1132	15.06
16	A	1228	1118	1.37
17	A	1164	1060	28.38
18	A	1164	1060	1.59
19	A	1093	995	10.97
20	A	1049	955	5.98
21	A	1003	913	4.89
22	A	1001	911	1.52
23	A	839	763	66.64
24	A	758	690	10.00
25	A	717	653	1.20
26	A	691	629	6.59
27	A	547	498	84.92
28	A	375	341	5.88
29	A	283	257	9.08
30	A	81	73	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	2.098	-0.026	0.000
H2	2.474	0.486	0.879
H3	2.478	-1.036	-0.002
H4	2.474	0.489	-0.877
N5	-0.162	1.038	0.000
H6	0.163	1.972	-0.002
C7	0.607	-0.072	-0.000
N8	-0.115	-1.139	-0.000
C9	-1.421	-0.715	-0.000
H10	-2.234	-1.407	0.000
C11	-1.473	0.628	0.000
H12	-2.289	1.314	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0841	1.0785	1.0841	2.4981	2.7823	1.4921	2.4774	3.5861	4.5474	3.6306	4.5879
H2	1.0841		1.7583	1.7551	2.8324	2.8854	2.1375	3.1805	4.1695	5.1501	4.0458	4.9139
H3	1.0785	1.7583		1.7583	3.3567	3.7959	2.1046	2.5948	3.9118	4.7267	4.2866	5.3147
H4	1.0841	1.7551	1.7583		2.8314	2.8821	2.1375	3.1817	4.1701	5.1510	4.0454	4.9132
N5	2.4981	2.8324	3.3567	2.8314		0.9891	1.3499	2.1775	2.1584	3.2050	1.3737	2.1456
H6	2.7823	2.8854	3.7959	2.8821	0.9891		2.0918	3.1238	3.1194	4.1429	2.1172	2.5392
C7	1.4921	2.1375	2.1046	2.1375	1.3499	2.0918		1.2885	2.1275	3.1393	2.1943	3.2107
N8	2.4774	3.1805	2.5948	3.1817	2.1775	3.1238	1.2885		1.3730	2.1363	2.2284	3.2777
C9	3.5861	4.1695	3.9118	4.1701	2.1584	3.1194	2.1275	1.3730		1.0677	1.3440	2.2068
H10	4.5474	5.1501	4.7267	5.1510	3.2050	4.1429	3.1393	2.1363	1.0677		2.1724	2.7206
C11	3.6306	4.0458	4.2866	4.0454	1.3737	2.1172	2.1943	2.2284	1.3440	2.1724		1.0664
H12	4.5879	4.9139	5.3147	4.9132	2.1456	2.5392	3.2107	3.2777	2.2068	2.7206	1.0664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.962	C1	C7	N8	125.824
H2	C1	H3	108.785	H2	C1	H4	108.081
H2	C1	C7	111.141	H3	C1	H4	108.786
H3	C1	C7	108.844	H4	C1	C7	111.146
N5	C7	N8	111.214	N5	C11	C9	105.152
N5	C11	H12	122.623	H6	N5	C7	126.145
H6	N5	C11	126.511	C7	N5	C11	107.343
C7	N8	C9	106.093	N8	C9	H10	121.656
N8	C9	C11	110.198	C9	C11	H12	132.225
H10	C9	C11	128.146

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.659
2	H	0.278
3	H	0.303
4	H	0.278
5	N	0.037
6	H	0.052
7	C	-0.055
8	N	-0.408
9	C	-0.365
10	H	0.555
11	C	-0.612
12	H	0.596

	x	y	z	Total
	0.705	3.612	-0.003	3.680
CHELPG
AIM
ESP

	x	y	z
x	10.429	0.035	0.000
y	0.035	8.940	-0.000
z	0.000	-0.000	6.220

<r²>	137.126
(<r²>)^1/2	11.710

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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