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	hartrees
Energy at 0K	-265.446090
Energy at 298.15K	-265.453903
Nuclear repulsion energy	225.963517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3538	47.14
2	A	3299	3159	3.27
3	A	3265	3127	6.21
4	A	3179	3045	2.89
5	A	3112	2981	15.33
6	A	3051	2922	28.24
7	A	1617	1548	39.33
8	A	1542	1477	4.89
9	A	1504	1440	7.17
10	A	1478	1415	6.62
11	A	1451	1390	34.41
12	A	1423	1363	0.09
13	A	1393	1334	1.37
14	A	1284	1230	13.10
15	A	1205	1154	2.15
16	A	1144	1096	3.34
17	A	1114	1067	26.07
18	A	1055	1010	1.65
19	A	1006	963	8.67
20	A	968	927	0.69
21	A	921	882	3.39
22	A	864	828	8.91
23	A	738	707	32.62
24	A	698	668	2.68
25	A	684	655	1.29
26	A	647	620	15.40
27	A	544	521	62.38
28	A	343	328	4.88
29	A	257	246	5.06
30	A	93	89	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.100	-0.023	0.000
H2	2.493	0.487	0.884
H3	2.475	-1.045	-0.001
H4	2.493	0.489	-0.883
N5	-0.165	1.045	0.000
H6	0.158	1.995	-0.001
C7	0.615	-0.070	-0.000
N8	-0.121	-1.156	-0.000
C9	-1.420	-0.723	-0.000
H10	-2.244	-1.419	0.000
C11	-1.475	0.639	0.000
H12	-2.291	1.341	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0938	1.0885	1.0938	2.5042	2.8010	1.4854	2.4928	3.5891	4.5627	3.6355	4.5976
H2	1.0938		1.7699	1.7664	2.8561	2.9168	2.1490	3.2116	4.1906	5.1823	4.0678	4.9388
H3	1.0885	1.7699		1.7699	3.3670	3.8226	2.0997	2.5978	3.9084	4.7335	4.2936	5.3294
H4	1.0938	1.7664	1.7699		2.8555	2.9152	2.1490	3.2122	4.1909	5.1828	4.0676	4.9385
N5	2.5042	2.8561	3.3670	2.8555		1.0041	1.3608	2.2013	2.1681	3.2238	1.3710	2.1460
H6	2.8010	2.9168	3.8226	2.9152	1.0041		2.1155	3.1638	3.1435	4.1749	2.1227	2.5346
C7	1.4854	2.1490	2.0997	2.1490	1.3608	2.1155		1.3118	2.1377	3.1615	2.2070	3.2303
N8	2.4928	3.2116	2.5978	3.2122	2.2013	3.1638	1.3118		1.3699	2.1395	2.2485	3.3082
C9	3.5891	4.1906	3.9084	4.1909	2.1681	3.1435	2.1377	1.3699		1.0785	1.3631	2.2400
H10	4.5627	5.1823	4.7335	5.1828	3.2238	4.1749	3.1615	2.1395	1.0785		2.1973	2.7607
C11	3.6355	4.0678	4.2936	4.0676	1.3710	2.1227	2.2070	2.2485	1.3631	2.1973		1.0763
H12	4.5976	4.9388	5.3294	4.9385	2.1460	2.5346	3.2303	3.3082	2.2400	2.7607	1.0763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.183	C1	C7	N8	125.928
H2	C1	H3	108.388	H2	C1	H4	107.691
H2	C1	C7	111.961	H3	C1	H4	108.389
H3	C1	C7	108.336	H4	C1	C7	111.963
N5	C7	N8	110.889	N5	C11	C9	104.927
N5	C11	H12	122.076	H6	N5	C7	126.233
H6	N5	C11	125.990	C7	N5	C11	107.777
C7	N8	C9	105.692	N8	C9	H10	121.361
N8	C9	C11	110.716	C9	C11	H12	132.997
H10	C9	C11	127.924

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

using model chemistry: B1B95/6-31G(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	-0.514
2	H	0.140
3	H	0.170
4	H	0.140
5	N	-0.316
6	H	0.274
7	C	0.366
8	N	-0.319
9	C	-0.086
10	H	0.114
11	C	-0.103
12	H	0.133

	x	y	z	Total
	0.532	3.471	-0.001	3.511
CHELPG
AIM
ESP

	x	y	z
x	10.150	0.111	0.000
y	0.111	8.085	-0.000
z	0.000	-0.000	4.543

<r²>	137.466
(<r²>)^1/2	11.725

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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