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	hartrees
Energy at 0K	-265.634864
Energy at 298.15K	-265.642642
Nuclear repulsion energy	225.299259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3652	3532	46.22
2	A	3268	3160	1.94
3	A	3239	3133	4.09
4	A	3131	3028	3.45
5	A	3064	2963	16.64
6	A	3021	2921	30.75
7	A	1593	1540	35.42
8	A	1517	1467	4.35
9	A	1494	1445	6.61
10	A	1488	1439	7.24
11	A	1438	1390	40.74
12	A	1418	1372	0.45
13	A	1383	1337	1.94
14	A	1274	1232	15.06
15	A	1176	1137	6.24
16	A	1138	1101	1.54
17	A	1098	1062	25.66
18	A	1065	1030	0.79
19	A	1009	976	9.31
20	A	968	936	2.74
21	A	931	900	2.30
22	A	876	847	7.49
23	A	736	712	53.46
24	A	693	670	5.97
25	A	678	656	0.70
26	A	644	623	10.01
27	A	528	510	68.49
28	A	350	338	5.35
29	A	254	245	6.38
30	A	75	72	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	2.109	-0.025	0.000
H2	2.500	0.486	0.883
H3	2.488	-1.044	-0.001
H4	2.500	0.488	-0.882
N5	-0.166	1.048	0.000
H6	0.155	2.001	-0.001
C7	0.620	-0.070	-0.000
N8	-0.121	-1.154	-0.000
C9	-1.428	-0.725	0.000
H10	-2.249	-1.422	0.000
C11	-1.482	0.637	0.000
H12	-2.302	1.334	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0923	1.0868	1.0923	2.5159	2.8152	1.4897	2.4996	3.6065	4.5768	3.6524	4.6156
H2	1.0923		1.7668	1.7649	2.8640	2.9283	2.1496	3.2150	4.2044	5.1933	4.0817	4.9549
H3	1.0868	1.7668		1.7668	3.3795	3.8360	2.1062	2.6109	3.9294	4.7520	4.3117	5.3472
H4	1.0923	1.7649	1.7668		2.8633	2.9265	2.1497	3.2157	4.2048	5.1939	4.0814	4.9545
N5	2.5159	2.8640	3.3795	2.8633		1.0056	1.3673	2.2031	2.1771	3.2316	1.3790	2.1546
H6	2.8152	2.9283	3.8360	2.9265	1.0056		2.1231	3.1676	3.1531	4.1835	2.1310	2.5458
C7	1.4897	2.1496	2.1062	2.1497	1.3673	2.1231		1.3132	2.1510	3.1720	2.2187	3.2418
N8	2.4996	3.2150	2.6109	3.2157	2.2031	3.1676	1.3132		1.3764	2.1451	2.2506	3.3087
C9	3.6065	4.2044	3.9294	4.2048	2.1771	3.1531	2.1510	1.3764		1.0766	1.3639	2.2366
H10	4.5768	5.1933	4.7520	5.1939	3.2316	4.1835	3.1720	2.1451	1.0766		2.1979	2.7567
C11	3.6524	4.0817	4.3117	4.0814	1.3790	2.1310	2.2187	2.2506	1.3639	2.1979		1.0751
H12	4.6156	4.9549	5.3472	4.9545	2.1546	2.5458	3.2418	3.3087	2.2366	2.7567	1.0751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.377	C1	C7	N8	126.085
H2	C1	H3	108.347	H2	C1	H4	107.778
H2	C1	C7	111.800	H3	C1	H4	108.348
H3	C1	C7	108.654	H4	C1	C7	111.803
N5	C7	N8	110.538	N5	C11	C9	105.065
N5	C11	H12	122.306	H6	N5	C7	126.266
H6	N5	C11	125.956	C7	N5	C11	107.778
C7	N8	C9	106.192	N8	C9	H10	121.489
N8	C9	C11	110.427	C9	C11	H12	132.629
H10	C9	C11	128.084

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.328
2	H	0.157
3	H	0.163
4	H	0.157
5	N	-0.798
6	H	0.190
7	C	0.709
8	N	-0.939
9	C	0.198
10	H	0.163
11	C	0.155
12	H	0.173

	x	y	z	Total
	0.601	3.554	-0.001	3.605
CHELPG
AIM
ESP

	x	y	z
x	11.533	-0.039	0.000
y	-0.039	9.517	-0.000
z	0.000	-0.000	6.445

<r²>	139.150
(<r²>)^1/2	11.796

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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