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	hartrees
Energy at 0K	-263.948480
Energy at 298.15K	-263.956437
HF Energy	-263.948480
Nuclear repulsion energy	223.404726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3450	73.40
2	A	3348	3172	0.52
3	A	3322	3147	1.93
4	A	3178	3010	0.35
5	A	3098	2935	8.26
6	A	3046	2885	12.15
7	A	1601	1516	49.52
8	A	1555	1473	0.49
9	A	1553	1471	11.23
10	A	1523	1443	6.59
11	A	1461	1384	4.93
12	A	1431	1355	20.26
13	A	1384	1311	7.19
14	A	1299	1231	24.35
15	A	1175	1113	7.24
16	A	1130	1070	10.88
17	A	1114	1055	18.27
18	A	1105	1047	7.92
19	A	1021	967	8.79
20	A	991	939	3.29
21	A	952	902	3.14
22	A	947	897	4.48
23	A	803	761	37.36
24	A	719	681	122.87
25	A	711	674	40.90
26	A	685	649	1.43
27	A	666	631	0.18
28	A	333	316	5.65
29	A	258	244	7.54
30	A	87	83	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	2.125	-0.024	0.000
H2	2.508	0.486	0.890
H3	2.487	-1.053	-0.001
H4	2.508	0.488	-0.889
N5	-0.163	1.059	-0.000
H6	0.159	2.018	-0.000
C7	0.631	-0.073	-0.000
N8	-0.117	-1.168	0.000
C9	-1.449	-0.727	-0.000
H10	-2.267	-1.422	-0.000
C11	-1.494	0.643	0.000
H12	-2.316	1.334	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0952	1.0903	1.0952	2.5315	2.8348	1.4944	2.5165	3.6419	4.6094	3.6798	4.6438
H2	1.0952		1.7784	1.7795	2.8729	2.9418	2.1506	3.2273	4.2327	5.2188	4.1024	4.9774
H3	1.0903	1.7784		1.7785	3.3885	3.8536	2.0988	2.6066	3.9491	4.7688	4.3271	5.3632
H4	1.0952	1.7795	1.7785		2.8724	2.9408	2.1506	3.2278	4.2329	5.2191	4.1022	4.9771
N5	2.5315	2.8729	3.3885	2.8724		1.0127	1.3823	2.2265	2.2001	3.2529	1.3941	2.1699
H6	2.8348	2.9418	3.8536	2.9408	1.0127		2.1435	3.1979	3.1817	4.2103	2.1509	2.5678
C7	1.4944	2.1506	2.0988	2.1506	1.3823	2.1435		1.3262	2.1804	3.1975	2.2424	3.2655
N8	2.5165	3.2273	2.6066	3.2278	2.2265	3.1979	1.3262		1.4025	2.1655	2.2744	3.3306
C9	3.6419	4.2327	3.9491	4.2329	2.2001	3.1817	2.1804	1.4025		1.0741	1.3705	2.2363
H10	4.6094	5.2188	4.7688	5.2191	3.2529	4.2103	3.1975	2.1655	1.0741		2.2049	2.7569
C11	3.6798	4.1024	4.3271	4.1022	1.3941	2.1509	2.2424	2.2744	1.3705	2.2049		1.0740
H12	4.6438	4.9774	5.3632	4.9771	2.1699	2.5678	3.2655	3.3306	2.2363	2.7569	1.0740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.242	C1	C7	N8	126.195
H2	C1	H3	108.920	H2	C1	H4	108.660
H2	C1	C7	111.363	H3	C1	H4	108.922
H3	C1	C7	107.554	H4	C1	C7	111.363
N5	C7	N8	110.563	N5	C11	C9	105.457
N5	C11	H12	122.555	H6	N5	C7	126.330
H6	N5	C11	125.936	C7	N5	C11	107.734
C7	N8	C9	106.048	N8	C9	H10	121.374
N8	C9	C11	110.199	C9	C11	H12	131.988
H10	C9	C11	128.428

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

using model chemistry: M06-2X/3-21G*

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	-0.622
2	H	0.216
3	H	0.249
4	H	0.216
5	N	-0.760
6	H	0.341
7	C	0.515
8	N	-0.529
9	C	-0.092
10	H	0.214
11	C	0.021
12	H	0.229

	x	y	z	Total
	0.492	3.765	-0.000	3.797
CHELPG
AIM
ESP

	x	y	z
x	8.957	0.196	0.000
y	0.196	7.231	0.000
z	0.000	0.000	3.272

<r²>	140.417
(<r²>)^1/2	11.850

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

using model chemistry: M06-2X/3-21G*

States and conformations

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