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	hartrees
Energy at 0K	-265.630495
Energy at 298.15K	-265.638208
HF Energy	-265.630495
Nuclear repulsion energy	225.089204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3521	47.32
2	A	3277	3164	1.95
3	A	3249	3136	4.79
4	A	3141	3032	3.82
5	A	3073	2967	18.71
6	A	3029	2924	32.59
7	A	1593	1538	38.45
8	A	1517	1465	4.20
9	A	1494	1443	5.19
10	A	1486	1435	9.22
11	A	1436	1386	41.52
12	A	1420	1371	0.16
13	A	1383	1335	2.06
14	A	1273	1229	16.62
15	A	1176	1136	7.79
16	A	1138	1099	1.88
17	A	1099	1061	27.20
18	A	1062	1026	0.61
19	A	1010	975	10.25
20	A	968	935	3.59
21	A	934	902	2.27
22	A	858	829	10.67
23	A	725	700	50.30
24	A	684	660	5.28
25	A	679	656	0.70
26	A	640	618	14.20
27	A	510	492	68.65
28	A	351	339	5.28
29	A	245	237	5.80
30	A	60	58	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.084	-0.033	0.002
H2	2.472	0.146	1.007
H3	2.460	-0.990	-0.350
H4	2.462	0.755	-0.655
N5	-0.170	1.024	-0.002
H6	0.144	1.956	-0.002
C7	0.612	-0.056	-0.001
N8	-0.136	-1.130	-0.002
C9	-1.403	-0.722	0.002
H10	-2.232	-1.362	0.002
C11	-1.441	0.640	0.001
H12	-2.275	1.269	0.003

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0923	1.0864	1.0936	2.4895	2.7783	1.4718	2.4756	3.5540	4.5151	3.5881	4.5495
H2	1.0923		1.7691	1.7701	2.9612	3.1165	2.1248	3.0733	4.0961	5.0402	4.0698	4.9806
H3	1.0864	1.7691		1.7714	3.3308	3.7632	2.0994	2.6226	3.8879	4.7192	4.2418	5.2584
H4	1.0936	1.7701	1.7714		2.7258	2.6916	2.1237	3.2756	4.1899	5.1911	3.9597	4.8110
N5	2.4895	2.9612	3.3308	2.7258		0.9832	1.3339	2.1539	2.1377	3.1533	1.3275	2.1195
H6	2.7783	3.1165	3.7632	2.6916	0.9832		2.0658	3.0980	3.0927	4.0805	2.0599	2.5150
C7	1.4718	2.1248	2.0994	2.1237	1.3339	2.0658		1.3082	2.1222	3.1290	2.1676	3.1772
N8	2.4756	3.0733	2.6226	3.2756	2.1539	3.0980	1.3082		1.3309	2.1084	2.1983	3.2142
C9	3.5540	4.0961	3.8879	4.1899	2.1377	3.0927	2.1222	1.3309		1.0468	1.3624	2.1741
H10	4.5151	5.0402	4.7192	5.1911	3.1533	4.0805	3.1290	2.1084	1.0468		2.1523	2.6315
C11	3.5881	4.0698	4.2418	3.9597	1.3275	2.0599	2.1676	2.1983	1.3624	2.1523		1.0454
H12	4.5495	4.9806	5.2584	4.8110	2.1195	2.5150	3.1772	3.2142	2.1741	2.6315	1.0454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	125.004	C1	C7	N8	125.775
H2	C1	H3	108.584	H2	C1	H4	108.147
H2	C1	C7	111.063	H3	C1	H4	108.701
H3	C1	C7	109.382	H4	C1	C7	110.898
N5	C7	N8	109.221	N5	C11	C9	105.244
N5	C11	H12	126.149	H6	N5	C7	125.468
H6	N5	C11	125.463	C7	N5	C11	109.069
C7	N8	C9	107.053	N8	C9	H10	124.502
N8	C9	C11	109.411	C9	C11	H12	128.607
H10	C9	C11	126.086

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

using model chemistry: B3LYP/TZVP

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	-0.467
2	H	0.131
3	H	0.160
4	H	0.130
5	N	-0.159
6	H	0.237
7	C	0.065
8	N	-0.114
9	C	-0.111
10	H	0.116
11	C	-0.107
12	H	0.120

	x	y	z	Total
	0.556	3.635	-0.007	3.678
CHELPG
AIM
ESP

	x	y	z
x	10.681	0.051	0.001
y	0.051	8.905	-0.001
z	0.001	-0.001	5.706

<r²>	139.260
(<r²>)^1/2	11.801

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

using model chemistry: B3LYP/TZVP

States and conformations

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