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	hartrees
Energy at 0K	-265.354359
Energy at 298.15K	-265.362060
Nuclear repulsion energy	221.161910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3550	3523	16.19
2	A	3237	3212	8.45
3	A	3213	3189	4.54
4	A	3086	3062	6.31
5	A	3005	2982	29.46
6	A	2958	2936	42.08
7	A	1531	1520	39.94
8	A	1500	1488	0.80
9	A	1495	1484	8.99
10	A	1459	1448	7.65
11	A	1422	1411	0.69
12	A	1371	1361	17.69
13	A	1328	1318	4.56
14	A	1250	1241	24.04
15	A	1137	1128	5.87
16	A	1089	1081	4.50
17	A	1077	1069	13.00
18	A	1065	1056	3.30
19	A	981	974	11.61
20	A	943	936	2.61
21	A	909	903	2.91
22	A	833	827	10.06
23	A	713	708	36.87
24	A	662	657	0.53
25	A	660	655	1.36
26	A	623	619	28.32
27	A	592	587	96.54
28	A	339	337	5.34
29	A	242	241	5.51
30	A	92	91	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	2.142	-0.023	0.000
H2	2.546	0.490	0.892
H3	2.516	-1.056	-0.000
H4	2.546	0.491	-0.892
N5	-0.173	1.072	0.000
H6	0.141	2.039	-0.001
C7	0.642	-0.066	-0.000
N8	-0.116	-1.182	-0.000
C9	-1.456	-0.740	-0.000
H10	-2.276	-1.449	0.000
C11	-1.512	0.646	0.000
H12	-2.340	1.346	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1056	1.0990	1.1057	2.5603	2.8728	1.5007	2.5384	3.6684	4.6427	3.7147	4.6861
H2	1.1056		1.7853	1.7843	2.9199	2.9968	2.1753	3.2680	4.2806	5.2736	4.1581	5.0399
H3	1.0990	1.7853		1.7853	3.4290	3.9012	2.1197	2.6357	3.9847	4.8087	4.3731	5.4177
H4	1.1057	1.7843	1.7853		2.9199	2.9960	2.1753	3.2683	4.2808	5.2740	4.1583	5.0400
N5	2.5603	2.9199	3.4290	2.9199		1.0164	1.3996	2.2546	2.2201	3.2836	1.4059	2.1845
H6	2.8728	2.9968	3.9012	2.9960	1.0164		2.1638	3.2309	3.2047	4.2438	2.1621	2.5757
C7	1.5007	2.1753	2.1197	2.1753	1.3996	2.1638		1.3489	2.2031	3.2293	2.2687	3.2993
N8	2.5384	3.2680	2.6357	3.2683	2.2546	3.2309	1.3489		1.4105	2.1764	2.2996	3.3668
C9	3.6684	4.2806	3.9847	4.2808	2.2201	3.2047	2.2031	1.4105		1.0847	1.3864	2.2655
H10	4.6427	5.2736	4.8087	5.2740	3.2836	4.2438	3.2293	2.1764	1.0847		2.2297	2.7962
C11	3.7147	4.1581	4.3731	4.1583	1.4059	2.1621	2.2687	2.2996	1.3864	2.2297		1.0843
H12	4.6861	5.0399	5.4177	5.0400	2.1845	2.5757	3.2993	3.3668	2.2655	2.7962	1.0843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.923	C1	C7	N8	125.862
H2	C1	H3	108.156	H2	C1	H4	107.584
H2	C1	C7	112.267	H3	C1	H4	108.156
H3	C1	C7	108.258	H4	C1	C7	112.271
N5	C7	N8	110.215	N5	C11	C9	105.323
N5	C11	H12	122.087	H6	N5	C7	126.444
H6	N5	C11	125.628	C7	N5	C11	107.928
C7	N8	C9	105.933	N8	C9	H10	120.881
N8	C9	C11	110.602	C9	C11	H12	132.590
H10	C9	C11	128.517

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	-0.424
2	H	0.137
3	H	0.167
4	H	0.137
5	N	-0.614
6	H	0.294
7	C	0.390
8	N	-0.378
9	C	-0.049
10	H	0.109
11	C	0.108
12	H	0.124

	x	y	z	Total
	0.435	3.693	-0.002	3.718
CHELPG
AIM
ESP

<r²>	142.951
(<r²>)^1/2	11.956

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-)