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	hartrees
Energy at 0K	-265.438770
Energy at 298.15K	-265.446317
Nuclear repulsion energy	222.696096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3541	3514	20.46
2	A	3204	3179	6.26
3	A	3173	3148	8.55
4	A	3080	3056	5.55
5	A	3003	2980	25.06
6	A	2959	2936	40.73
7	A	1536	1525	28.89
8	A	1481	1470	1.91
9	A	1462	1450	6.03
10	A	1455	1444	4.87
11	A	1392	1381	34.21
12	A	1385	1374	1.40
13	A	1345	1334	1.86
14	A	1233	1223	16.30
15	A	1145	1137	3.93
16	A	1102	1094	1.14
17	A	1068	1060	19.35
18	A	1033	1025	1.31
19	A	976	968	10.77
20	A	934	927	1.13
21	A	896	889	3.43
22	A	810	804	10.14
23	A	690	685	26.16
24	A	660	655	3.92
25	A	656	651	1.37
26	A	619	614	16.18
27	A	477	474	64.06
28	A	337	334	4.70
29	A	240	238	5.01
30	A	76	75	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	2.130	-0.022	0.000
H2	2.531	0.492	0.891
H3	2.507	-1.052	-0.001
H4	2.531	0.494	-0.890
N5	-0.171	1.063	0.000
H6	0.148	2.028	-0.002
C7	0.627	-0.069	-0.000
N8	-0.119	-1.174	-0.000
C9	-1.439	-0.736	-0.000
H10	-2.267	-1.441	0.000
C11	-1.501	0.644	-0.000
H12	-2.326	1.351	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1039	1.0976	1.1039	2.5440	2.8508	1.5031	2.5269	3.6393	4.6201	3.6912	4.6620
H2	1.1039		1.7838	1.7807	2.9018	2.9717	2.1753	3.2545	4.2495	5.2486	4.1316	5.0114
H3	1.0976	1.7838		1.7838	3.4132	3.8799	2.1214	2.6292	3.9587	4.7900	4.3525	5.3974
H4	1.1039	1.7807	1.7838		2.9013	2.9693	2.1753	3.2552	4.2499	5.2493	4.1314	5.0110
N5	2.5440	2.9018	3.4132	2.9013		1.0169	1.3857	2.2375	2.2003	3.2653	1.3937	2.1733
H6	2.8508	2.9717	3.8799	2.9693	1.0169		2.1515	3.2133	3.1873	4.2274	2.1528	2.5651
C7	1.5031	2.1753	2.1214	2.1753	1.3857	2.1515		1.3332	2.1710	3.2029	2.2448	3.2767
N8	2.5269	3.2545	2.6292	3.2552	2.2375	3.2133	1.3332		1.3905	2.1643	2.2839	3.3531
C9	3.6393	4.2495	3.9587	4.2499	2.2003	3.1873	2.1710	1.3905		1.0879	1.3817	2.2673
H10	4.6201	5.2486	4.7900	5.2493	3.2653	4.2274	3.2029	2.1643	1.0879		2.2221	2.7928
C11	3.6912	4.1316	4.3525	4.1314	1.3937	2.1528	2.2448	2.2839	1.3817	2.2221		1.0858
H12	4.6620	5.0114	5.3974	5.0110	2.1733	2.5651	3.2767	3.3531	2.2673	2.7928	1.0858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.385	C1	C7	N8	125.868
H2	C1	H3	108.240	H2	C1	H4	107.520
H2	C1	C7	112.200	H3	C1	H4	108.240
H3	C1	C7	108.302	H4	C1	C7	112.201
N5	C7	N8	110.747	N5	C11	C9	104.894
N5	C11	H12	121.956	H6	N5	C7	126.461
H6	N5	C11	125.804	C7	N5	C11	107.734
C7	N8	C9	105.680	N8	C9	H10	121.197
N8	C9	C11	110.945	C9	C11	H12	133.150
H10	C9	C11	127.859

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

using model chemistry: BLYP/6-31G**

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	-0.355
2	H	0.107
3	H	0.136
4	H	0.107
5	N	-0.470
6	H	0.236
7	C	0.436
8	N	-0.449
9	C	0.037
10	H	0.060
11	C	0.080
12	H	0.076

	x	y	z	Total
	0.506	3.448	-0.002	3.485
CHELPG
AIM
ESP

<r²>	141.182
(<r²>)^1/2	11.882

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

using model chemistry: BLYP/6-31G**

States and conformations

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