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	hartrees
Energy at 0K	-265.427909
Energy at 298.15K	-265.435435
HF Energy	-265.427909
Nuclear repulsion energy	222.617117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3517	3489	17.21
2	A	3204	3178	7.83
3	A	3174	3149	9.18
4	A	3077	3052	6.01
5	A	2998	2974	26.40
6	A	2958	2934	41.72
7	A	1540	1528	29.60
8	A	1492	1480	0.55
9	A	1477	1465	6.47
10	A	1460	1448	6.29
11	A	1400	1389	1.09
12	A	1395	1384	33.95
13	A	1348	1337	1.81
14	A	1237	1227	16.29
15	A	1147	1138	3.95
16	A	1104	1095	1.51
17	A	1072	1063	18.68
18	A	1044	1035	1.43
19	A	980	972	11.19
20	A	938	930	1.20
21	A	897	889	3.47
22	A	804	797	11.78
23	A	686	681	23.44
24	A	658	653	6.36
25	A	657	651	1.44
26	A	618	613	17.77
27	A	468	464	66.29
28	A	337	334	4.63
29	A	240	238	5.29
30	A	79	78	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	2.133	-0.025	0.000
H2	2.532	0.490	0.891
H3	2.514	-1.055	-0.001
H4	2.532	0.492	-0.890
N5	-0.167	1.063	0.000
H6	0.159	2.027	-0.001
C7	0.624	-0.073	-0.000
N8	-0.122	-1.171	-0.000
C9	-1.445	-0.734	-0.000
H10	-2.274	-1.440	0.000
C11	-1.499	0.647	-0.000
H12	-2.325	1.353	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1042	1.0978	1.1042	2.5446	2.8478	1.5099	2.5297	3.6480	4.6290	3.6939	4.6665
H2	1.1042		1.7846	1.7813	2.8991	2.9645	2.1799	3.2555	4.2557	5.2555	4.1312	5.0127
H3	1.0978	1.7846		1.7846	3.4166	3.8788	2.1296	2.6390	3.9723	4.8038	4.3589	5.4052
H4	1.1042	1.7813	1.7846		2.8984	2.9625	2.1800	3.2563	4.2561	5.2561	4.1309	5.0123
N5	2.5446	2.8991	3.4166	2.8984		1.0173	1.3847	2.2342	2.2056	3.2724	1.3959	2.1776
H6	2.8478	2.9645	3.8788	2.9625	1.0173		2.1514	3.2099	3.1932	4.2358	2.1574	2.5735
C7	1.5099	2.1799	2.1296	2.1800	1.3847	2.1514		1.3270	2.1722	3.2044	2.2419	3.2761
N8	2.5297	3.2555	2.6390	3.2563	2.2342	3.2099	1.3270		1.3930	2.1687	2.2797	3.3499
C9	3.6480	4.2557	3.9723	4.2561	2.2056	3.1932	2.1722	1.3930		1.0890	1.3816	2.2652
H10	4.6290	5.2555	4.8038	5.2561	3.2724	4.2358	3.2044	2.1687	1.0890		2.2261	2.7941
C11	3.6939	4.1312	4.3589	4.1309	1.3959	2.1574	2.2419	2.2797	1.3816	2.2261		1.0871
H12	4.6665	5.0127	5.4052	5.0123	2.1776	2.5735	3.2761	3.3499	2.2652	2.7941	1.0871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.000	C1	C7	N8	126.059
H2	C1	H3	108.281	H2	C1	H4	107.534
H2	C1	C7	112.071	H3	C1	H4	108.282
H3	C1	C7	108.471	H4	C1	C7	112.073
N5	C7	N8	110.941	N5	C11	C9	105.137
N5	C11	H12	122.070	H6	N5	C7	126.505
H6	N5	C11	126.036	C7	N5	C11	107.459
C7	N8	C9	105.968	N8	C9	H10	121.309
N8	C9	C11	110.495	C9	C11	H12	132.793
H10	C9	C11	128.197

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	-0.498
2	H	0.145
3	H	0.176
4	H	0.145
5	N	-0.539
6	H	0.301
7	C	0.467
8	N	-0.441
9	C	-0.016
10	H	0.103
11	C	0.037
12	H	0.118

	x	y	z	Total
	0.484	3.462	-0.001	3.495
CHELPG
AIM
ESP

	x	y	z
x	10.354	0.129	0.000
y	0.129	8.219	-0.000
z	0.000	-0.000	4.081

<r²>	141.280
(<r²>)^1/2	11.886

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-)