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	hartrees
Energy at 0K	-263.771850
Energy at 298.15K	-263.780066
Nuclear repulsion energy	224.773165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3948	3554	89.20
2	A	3516	3166	7.66
3	A	3489	3141	3.65
4	A	3340	3007	11.69
5	A	3274	2948	37.33
6	A	3206	2886	44.95
7	A	1752	1578	67.02
8	A	1658	1493	5.21
9	A	1640	1477	9.14
10	A	1640	1477	11.21
11	A	1577	1420	1.17
12	A	1558	1403	50.07
13	A	1493	1344	2.25
14	A	1398	1259	24.81
15	A	1261	1135	17.40
16	A	1215	1094	3.67
17	A	1198	1079	3.86
18	A	1189	1071	33.09
19	A	1099	990	17.75
20	A	1062	956	8.16
21	A	1023	921	4.95
22	A	1017	915	1.82
23	A	866	780	78.42
24	A	763	687	22.01
25	A	723	651	2.31
26	A	714	643	151.97
27	A	694	625	11.45
28	A	371	334	6.88
29	A	284	256	9.41
30	A	94	85	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	2.120	-0.027	0.000
H2	2.502	0.481	0.879
H3	2.495	-1.039	-0.001
H4	2.502	0.483	-0.878
N5	-0.164	1.053	0.000
H6	0.154	1.992	-0.001
C7	0.627	-0.070	-0.000
N8	-0.117	-1.150	-0.000
C9	-1.443	-0.726	0.000
H10	-2.248	-1.422	0.000
C11	-1.491	0.636	0.000
H12	-2.310	1.316	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0847	1.0790	1.0847	2.5267	2.8180	1.4941	2.5030	3.6311	4.5855	3.6717	4.6290
H2	1.0847		1.7562	1.7570	2.8648	2.9272	2.1430	3.2079	4.2179	5.1918	4.0915	4.9618
H3	1.0790	1.7562		1.7563	3.3833	3.8295	2.1048	2.6144	3.9507	4.7588	4.3239	5.3509
H4	1.0847	1.7570	1.7563		2.8641	2.9253	2.1430	3.2085	4.2183	5.1924	4.0912	4.9615
N5	2.5267	2.8648	3.3833	2.8641		0.9917	1.3733	2.2033	2.1906	3.2350	1.3908	2.1616
H6	2.8180	2.9272	3.8295	2.9253	0.9917		2.1153	3.1536	3.1524	4.1742	2.1320	2.5550
C7	1.4941	2.1430	2.1048	2.1430	1.3733	2.1153		1.3112	2.1711	3.1767	2.2324	3.2470
N8	2.5030	3.2079	2.6144	3.2085	2.2033	3.1536	1.3112		1.3924	2.1486	2.2536	3.2999
C9	3.6311	4.2179	3.9507	4.2183	2.1906	3.1524	2.1711	1.3924		1.0641	1.3628	2.2181
H10	4.5855	5.1918	4.7588	5.1924	3.2350	4.1742	3.1767	2.1486	1.0641		2.1926	2.7382
C11	3.6717	4.0915	4.3239	4.0912	1.3908	2.1320	2.2324	2.2536	1.3628	2.1926		1.0641
H12	4.6290	4.9618	5.3509	4.9615	2.1616	2.5550	3.2470	3.2999	2.2181	2.7382	1.0641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.518	C1	C7	N8	126.187
H2	C1	H3	108.526	H2	C1	H4	108.172
H2	C1	C7	111.418	H3	C1	H4	108.527
H3	C1	C7	108.697	H4	C1	C7	111.420
N5	C7	N8	110.296	N5	C11	C9	105.410
N5	C11	H12	122.859	H6	N5	C7	126.110
H6	N5	C11	126.160	C7	N5	C11	107.730
C7	N8	C9	106.806	N8	C9	H10	121.430
N8	C9	C11	109.759	C9	C11	H12	131.731
H10	C9	C11	128.812

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

using model chemistry: HF/SDD

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	-0.641
2	H	0.193
3	H	0.240
4	H	0.193
5	N	-0.610
6	H	0.378
7	C	0.392
8	N	-0.274
9	C	-0.205
10	H	0.227
11	C	-0.126
12	H	0.232

	x	y	z	Total
	0.549	4.108	-0.001	4.145
CHELPG
AIM
ESP

	x	y	z
x	8.682	0.153	0.000
y	0.153	7.807	-0.000
z	0.000	-0.000	4.129

<r²>	139.951
(<r²>)^1/2	11.830

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

using model chemistry: HF/SDD

States and conformations

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