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	hartrees
Energy at 0K	-265.461222
Energy at 298.15K	-265.469018
Nuclear repulsion energy	225.419351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3545	45.85
2	A	3289	3162	3.21
3	A	3256	3130	6.38
4	A	3166	3044	2.89
5	A	3098	2979	15.96
6	A	3039	2922	30.01
7	A	1607	1545	39.02
8	A	1530	1471	3.81
9	A	1498	1440	4.50
10	A	1477	1420	6.86
11	A	1446	1390	36.08
12	A	1416	1362	0.03
13	A	1392	1338	1.27
14	A	1281	1231	13.33
15	A	1199	1153	2.54
16	A	1142	1098	3.15
17	A	1111	1068	26.38
18	A	1056	1016	1.76
19	A	1007	968	9.10
20	A	967	930	0.88
21	A	926	891	3.39
22	A	860	826	9.56
23	A	733	705	33.05
24	A	697	670	4.04
25	A	684	658	1.21
26	A	647	622	14.65
27	A	536	516	63.98
28	A	345	331	5.04
29	A	256	246	5.29
30	A	89	85	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.105	-0.024	0.000
H2	2.500	0.488	0.885
H3	2.481	-1.048	-0.001
H4	2.500	0.490	-0.884
N5	-0.166	1.047	0.000
H6	0.157	2.000	-0.001
C7	0.617	-0.070	-0.000
N8	-0.121	-1.158	-0.000
C9	-1.424	-0.725	0.000
H10	-2.249	-1.423	0.000
C11	-1.479	0.640	0.000
H12	-2.296	1.343	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0962	1.0908	1.0962	2.5106	2.8089	1.4884	2.4984	3.5981	4.5730	3.6446	4.6084
H2	1.0962		1.7731	1.7696	2.8640	2.9259	2.1540	3.2191	4.2016	5.1947	4.0787	4.9513
H3	1.0908	1.7731		1.7731	3.3756	3.8326	2.1047	2.6044	3.9185	4.7446	4.3044	5.3420
H4	1.0962	1.7696	1.7731		2.8633	2.9242	2.1540	3.2198	4.2020	5.1953	4.0785	4.9510
N5	2.5106	2.8640	3.3756	2.8633		1.0054	1.3644	2.2062	2.1740	3.2317	1.3747	2.1507
H6	2.8089	2.9259	3.8326	2.9242	1.0054		2.1203	3.1703	3.1505	4.1838	2.1269	2.5391
C7	1.4884	2.1540	2.1047	2.1540	1.3644	2.1203		1.3151	2.1440	3.1694	2.2129	3.2379
N8	2.4984	3.2191	2.6044	3.2198	2.2062	3.1703	1.3151		1.3732	2.1441	2.2534	3.3150
C9	3.5981	4.2016	3.9185	4.2020	2.1740	3.1505	2.1440	1.3732		1.0803	1.3666	2.2449
H10	4.5730	5.1947	4.7446	5.1953	3.2317	4.1838	3.1694	2.1441	1.0803		2.2025	2.7671
C11	3.6446	4.0787	4.3044	4.0785	1.3747	2.1269	2.2129	2.2534	1.3666	2.2025		1.0782
H12	4.6084	4.9513	5.3420	4.9510	2.1507	2.5391	3.2379	3.3150	2.2449	2.7671	1.0782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.242	C1	C7	N8	125.922
H2	C1	H3	108.341	H2	C1	H4	107.637
H2	C1	C7	112.002	H3	C1	H4	108.343
H3	C1	C7	108.395	H4	C1	C7	112.004
N5	C7	N8	110.836	N5	C11	C9	104.946
N5	C11	H12	122.057	H6	N5	C7	126.271
H6	N5	C11	125.946	C7	N5	C11	107.783
C7	N8	C9	105.767	N8	C9	H10	121.367
N8	C9	C11	110.667	C9	C11	H12	132.996
H10	C9	C11	127.965

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

using model chemistry: B3PW91/6-31G(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	-0.558
2	H	0.153
3	H	0.184
4	H	0.153
5	N	-0.314
6	H	0.284
7	C	0.367
8	N	-0.316
9	C	-0.104
10	H	0.130
11	C	-0.126
12	H	0.148

	x	y	z	Total
	0.532	3.487	-0.001	3.527
CHELPG
AIM
ESP

	x	y	z
x	10.223	0.124	-0.001
y	0.124	8.142	-0.000
z	-0.001	-0.000	4.565

<r²>	138.039
(<r²>)^1/2	11.749

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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