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	hartrees
Energy at 0K	-263.942107
Energy at 298.15K	-263.950166
HF Energy	-263.942107
Nuclear repulsion energy	227.197874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3904	3547	84.50
2	A	3435	3121	3.56
3	A	3406	3095	5.85
4	A	3288	2988	7.63
5	A	3221	2926	26.20
6	A	3173	2883	32.33
7	A	1760	1599	61.92
8	A	1658	1507	13.70
9	A	1624	1475	9.30
10	A	1602	1456	8.64
11	A	1574	1430	49.96
12	A	1542	1401	1.03
13	A	1496	1359	2.50
14	A	1373	1248	16.73
15	A	1246	1132	16.44
16	A	1229	1117	2.32
17	A	1167	1060	31.64
18	A	1159	1053	0.50
19	A	1095	995	11.08
20	A	1051	955	8.12
21	A	1006	914	1.57
22	A	987	897	6.60
23	A	829	753	64.68
24	A	745	677	8.08
25	A	718	652	1.21
26	A	686	623	8.41
27	A	531	482	89.88
28	A	376	342	5.69
29	A	274	249	8.52
30	A	73	66	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	2.085	-0.029	0.002
H2	2.470	0.150	1.002
H3	2.463	-0.980	-0.347
H4	2.461	0.756	-0.651
N5	-0.172	1.019	-0.002
H6	0.142	1.946	-0.002
C7	0.607	-0.058	-0.001
N8	-0.130	-1.125	-0.003
C9	-1.399	-0.719	0.002
H10	-2.224	-1.366	0.003
C11	-1.445	0.635	0.002
H12	-2.279	1.268	0.003

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0870	1.0807	1.0882	2.4885	2.7706	1.4773	2.4710	3.5516	4.5113	3.5917	4.5525
H2	1.0870		1.7597	1.7604	2.9573	3.1070	2.1260	3.0656	4.0903	5.0334	4.0701	4.9803
H3	1.0807	1.7597		1.7618	3.3253	3.7504	2.1001	2.6194	3.8864	4.7155	4.2425	5.2592
H4	1.0882	1.7604	1.7618		2.7251	2.6865	2.1262	3.2671	4.1841	5.1849	3.9625	4.8129
N5	2.4885	2.9573	3.3253	2.7251		0.9789	1.3299	2.1452	2.1282	3.1468	1.3299	2.1217
H6	2.7706	3.1070	3.7504	2.6865	0.9789		2.0577	3.0839	3.0795	4.0712	2.0593	2.5148
C7	1.4773	2.1260	2.1001	2.1262	1.3299	2.0577		1.2974	2.1131	3.1193	2.1664	3.1767
N8	2.4710	3.0656	2.6194	3.2671	2.1452	3.0839	1.2974		1.3327	2.1079	2.1971	3.2166
C9	3.5516	4.0903	3.8864	4.1841	2.1282	3.0795	2.1131	1.3327		1.0482	1.3548	2.1733
H10	4.5113	5.0334	4.7155	5.1849	3.1468	4.0712	3.1193	2.1079	1.0482		2.1473	2.6348
C11	3.5917	4.0701	4.2425	3.9625	1.3299	2.0593	2.1664	2.1971	1.3548	2.1473		1.0472
H12	4.5525	4.9803	5.2592	4.8129	2.1217	2.5148	3.1767	3.2166	2.1733	2.6348	1.0472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	124.783	C1	C7	N8	125.753
H2	C1	H3	108.548	H2	C1	H4	108.056
H2	C1	C7	111.089	H3	C1	H4	108.652
H3	C1	C7	109.391	H4	C1	C7	111.034
N5	C7	N8	109.464	N5	C11	C9	104.880
N5	C11	H12	125.980	H6	N5	C7	125.369
H6	N5	C11	125.554	C7	N5	C11	109.076
C7	N8	C9	106.905	N8	C9	H10	124.143
N8	C9	C11	109.674	C9	C11	H12	129.140
H10	C9	C11	126.182

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

using model chemistry: HF/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	-0.403
2	H	0.101
3	H	0.137
4	H	0.101
5	N	-0.147
6	H	0.240
7	C	0.120
8	N	-0.146
9	C	-0.081
10	H	0.106
11	C	-0.146
12	H	0.118

	x	y	z	Total
	-0.644	3.729	0.005	3.784
CHELPG
AIM
ESP

	x	y	z
x	9.409	-0.099	-0.000
y	-0.099	8.361	0.000
z	-0.000	0.000	5.488

<r²>	137.202
(<r²>)^1/2	11.713

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

using model chemistry: HF/TZVP

States and conformations

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