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	hartrees
Energy at 0K	-265.342532
Energy at 298.15K	-265.350476
Nuclear repulsion energy	224.121556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3539	44.26
2	A	3349	3193	4.02
3	A	3323	3169	3.41
4	A	3195	3047	3.20
5	A	3125	2980	20.40
6	A	3061	2919	30.36
7	A	1618	1543	49.67
8	A	1551	1479	3.44
9	A	1530	1459	11.90
10	A	1529	1458	3.77
11	A	1459	1392	1.47
12	A	1447	1380	32.66
13	A	1408	1343	3.02
14	A	1314	1254	21.09
15	A	1195	1140	5.67
16	A	1150	1097	7.39
17	A	1131	1078	21.68
18	A	1095	1044	5.18
19	A	1022	975	8.44
20	A	986	941	2.31
21	A	943	900	2.84
22	A	899	857	8.31
23	A	767	731	37.77
24	A	696	664	3.70
25	A	690	658	1.32
26	A	668	637	152.08
27	A	648	618	0.04
28	A	350	334	5.99
29	A	257	246	6.59
30	A	101	96	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.114	-0.023	-0.000
H2	2.513	0.482	0.886
H3	2.482	-1.049	-0.001
H4	2.513	0.484	-0.885
N5	-0.169	1.056	0.000
H6	0.146	2.010	0.000
C7	0.632	-0.065	-0.000
N8	-0.116	-1.163	-0.000
C9	-1.437	-0.731	0.000
H10	-2.252	-1.433	0.000
C11	-1.491	0.639	-0.000
H12	-2.314	1.331	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0951	1.0894	1.0951	2.5262	2.8301	1.4835	2.5048	3.6212	4.5880	3.6654	4.6308
H2	1.0951		1.7698	1.7705	2.8826	2.9532	2.1504	3.2256	4.2260	5.2111	4.1035	4.9804
H3	1.0894	1.7698		1.7698	3.3854	3.8489	2.0958	2.6003	3.9319	4.7491	4.3162	5.3537
H4	1.0951	1.7705	1.7698		2.8821	2.9520	2.1505	3.2263	4.2265	5.2117	4.1032	4.9799
N5	2.5262	2.8826	3.3854	2.8821		1.0049	1.3777	2.2203	2.1908	3.2452	1.3854	2.1620
H6	2.8301	2.9532	3.8489	2.9520	1.0049		2.1310	3.1845	3.1653	4.1958	2.1351	2.5522
C7	1.4835	2.1504	2.0958	2.1505	1.3777	2.1310		1.3288	2.1731	3.1913	2.2358	3.2593
N8	2.5048	3.2256	2.6003	3.2263	2.2203	3.1845	1.3288		1.3903	2.1527	2.2670	3.3245
C9	3.6212	4.2260	3.9319	4.2265	2.1908	3.1653	2.1731	1.3903		1.0755	1.3708	2.2401
H10	4.5880	5.2111	4.7491	5.2117	3.2452	4.1958	3.1913	2.1527	1.0755		2.2074	2.7644
C11	3.6654	4.1035	4.3162	4.1032	1.3854	2.1351	2.2358	2.2670	1.3708	2.2074		1.0753
H12	4.6308	4.9804	5.3537	4.9799	2.1620	2.5522	3.2593	3.3245	2.2401	2.7644	1.0753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.948	C1	C7	N8	125.827
H2	C1	H3	108.223	H2	C1	H4	107.872
H2	C1	C7	112.136	H3	C1	H4	108.224
H3	C1	C7	108.112	H4	C1	C7	112.138
N5	C7	N8	110.225	N5	C11	C9	105.281
N5	C11	H12	122.451	H6	N5	C7	126.148
H6	N5	C11	125.822	C7	N5	C11	108.030
C7	N8	C9	106.087	N8	C9	H10	121.094
N8	C9	C11	110.376	C9	C11	H12	132.268
H10	C9	C11	128.530

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

using model chemistry: B1B95/6-31G

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	-0.498
2	H	0.171
3	H	0.205
4	H	0.171
5	N	-0.725
6	H	0.340
7	C	0.412
8	N	-0.421
9	C	-0.092
10	H	0.164
11	C	0.092
12	H	0.181

	x	y	z	Total
	0.436	3.838	-0.000	3.863
CHELPG
AIM
ESP

	x	y	z
x	9.588	0.154	0.000
y	0.154	7.798	-0.000
z	0.000	-0.000	3.807

<r²>	139.588
(<r²>)^1/2	11.815

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

using model chemistry: B1B95/6-31G

States and conformations

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