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	hartrees
Energy at 0K	-264.100195
Energy at 298.15K	-264.107890
Nuclear repulsion energy	226.006606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3520	41.99
2	A	3217	3166	0.59
3	A	3183	3132	3.64
4	A	3104	3054	0.51
5	A	3039	2990	7.57
6	A	2975	2927	21.97
7	A	1585	1560	42.71
8	A	1505	1481	1.61
9	A	1464	1440	11.60
10	A	1407	1384	8.92
11	A	1399	1377	1.52
12	A	1389	1367	26.08
13	A	1337	1315	1.02
14	A	1265	1245	12.89
15	A	1190	1171	2.51
16	A	1113	1095	7.95
17	A	1083	1066	26.22
18	A	1010	994	3.18
19	A	980	964	8.63
20	A	931	916	0.40
21	A	906	891	3.83
22	A	820	806	10.62
23	A	701	690	20.02
24	A	685	674	1.42
25	A	682	671	12.19
26	A	638	628	17.03
27	A	557	548	59.78
28	A	333	327	5.26
29	A	249	245	4.82
30	A	83	82	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	2.091	-0.025	0.000
H2	2.498	0.486	0.891
H3	2.462	-1.059	-0.001
H4	2.498	0.487	-0.890
N5	-0.164	1.043	0.000
H6	0.162	2.004	-0.000
C7	0.619	-0.069	-0.000
N8	-0.123	-1.154	0.000
C9	-1.417	-0.726	0.000
H10	-2.250	-1.427	0.000
C11	-1.471	0.642	-0.000
H12	-2.293	1.352	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1041	1.0991	1.1041	2.4949	2.7993	1.4726	2.4858	3.5775	4.5622	3.6236	4.5950
H2	1.1041		1.7840	1.7802	2.8618	2.9250	2.1519	3.2176	4.1938	5.1959	4.0705	4.9494
H3	1.0991	1.7840		1.7841	3.3634	3.8304	2.0919	2.5865	3.8930	4.7262	4.2844	5.3310
H4	1.1041	1.7802	1.7841		2.8613	2.9236	2.1519	3.2183	4.1942	5.1964	4.0702	4.9489
N5	2.4949	2.8618	3.3634	2.8613		1.0156	1.3596	2.1973	2.1673	3.2328	1.3668	2.1511
H6	2.7993	2.9250	3.8304	2.9236	1.0156		2.1227	3.1715	3.1540	4.1946	2.1269	2.5403
C7	1.4726	2.1519	2.0919	2.1519	1.3596	2.1227		1.3151	2.1396	3.1747	2.2073	3.2401
N8	2.4858	3.2176	2.5865	3.2183	2.1973	3.1715	1.3151		1.3630	2.1445	2.2453	3.3151
C9	3.5775	4.1938	3.8930	4.1942	2.1673	3.1540	2.1396	1.3630		1.0890	1.3685	2.2550
H10	4.5622	5.1959	4.7262	5.1964	3.2328	4.1946	3.1747	2.1445	1.0890		2.2107	2.7795
C11	3.6236	4.0705	4.2844	4.0702	1.3668	2.1269	2.2073	2.2453	1.3685	2.2107		1.0866
H12	4.5950	4.9494	5.3310	4.9489	2.1511	2.5403	3.2401	3.3151	2.2550	2.7795	1.0866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.457	C1	C7	N8	126.082
H2	C1	H3	108.147	H2	C1	H4	107.451
H2	C1	C7	112.475	H3	C1	H4	108.149
H3	C1	C7	107.984	H4	C1	C7	112.476
N5	C7	N8	110.461	N5	C11	C9	104.812
N5	C11	H12	122.103	H6	N5	C7	126.075
H6	N5	C11	125.810	C7	N5	C11	108.114
C7	N8	C9	106.040	N8	C9	H10	121.590
N8	C9	C11	110.573	C9	C11	H12	133.085
H10	C9	C11	127.837

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.613
2	H	0.164
3	H	0.192
4	H	0.164
5	N	-0.230
6	H	0.285
7	C	0.288
8	N	-0.221
9	C	-0.145
10	H	0.131
11	C	-0.165
12	H	0.150

	x	y	z	Total
	0.568	3.488	-0.001	3.534
CHELPG
AIM
ESP

	x	y	z
x	10.583	0.109	0.000
y	0.109	8.268	-0.000
z	0.000	-0.000	4.596

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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