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	hartrees
Energy at 0K	-265.251559
Energy at 298.15K	-265.259334
Nuclear repulsion energy	225.412862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3688	3508	44.39
2	A	3319	3156	3.43
3	A	3286	3125	7.23
4	A	3194	3037	3.12
5	A	3126	2973	17.77
6	A	3067	2917	30.66
7	A	1634	1554	39.85
8	A	1555	1478	4.58
9	A	1528	1453	2.97
10	A	1511	1437	8.86
11	A	1476	1403	42.34
12	A	1445	1375	0.37
13	A	1421	1352	1.09
14	A	1302	1238	14.77
15	A	1218	1159	2.55
16	A	1154	1097	5.00
17	A	1124	1069	27.27
18	A	1072	1020	2.31
19	A	1020	970	8.36
20	A	981	933	1.04
21	A	932	887	3.06
22	A	861	819	10.47
23	A	730	694	37.30
24	A	696	662	5.87
25	A	689	656	1.27
26	A	650	618	16.72
27	A	524	498	79.74
28	A	347	330	5.30
29	A	254	241	6.15
30	A	87	82	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	2.080	-0.032	0.002
H2	2.470	0.147	1.008
H3	2.455	-0.991	-0.350
H4	2.459	0.757	-0.657
N5	-0.170	1.025	-0.002
H6	0.144	1.956	-0.002
C7	0.609	-0.056	-0.001
N8	-0.134	-1.132	-0.002
C9	-1.400	-0.722	0.002
H10	-2.230	-1.363	0.002
C11	-1.439	0.640	0.001
H12	-2.275	1.271	0.003

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0940	1.0882	1.0951	2.4861	2.7753	1.4708	2.4722	3.5474	4.5112	3.5823	4.5459
H2	1.0940		1.7722	1.7726	2.9593	3.1144	2.1259	3.0719	4.0915	5.0382	4.0659	4.9785
H3	1.0882	1.7722		1.7747	3.3283	3.7617	2.0984	2.6165	3.8801	4.7133	4.2362	5.2551
H4	1.0951	1.7726	1.7747		2.7228	2.6882	2.1242	3.2740	4.1845	5.1883	3.9545	4.8074
N5	2.4861	2.9593	3.3283	2.7228		0.9836	1.3326	2.1564	2.1362	3.1538	1.3255	2.1193
H6	2.7753	3.1144	3.7617	2.6882	0.9836		2.0657	3.1006	3.0919	4.0817	2.0590	2.5148
C7	1.4708	2.1259	2.0984	2.1242	1.3326	2.0657		1.3075	2.1166	3.1261	2.1631	3.1750
N8	2.4722	3.0719	2.6165	3.2740	2.1564	3.1006	1.3075		1.3299	2.1087	2.1998	3.2177
C9	3.5474	4.0915	3.8801	4.1845	2.1362	3.0919	2.1166	1.3299		1.0492	1.3627	2.1767
H10	4.5112	5.0382	4.7133	5.1883	3.1538	4.0817	3.1261	2.1087	1.0492		2.1540	2.6344
C11	3.5823	4.0659	4.2362	3.9545	1.3255	2.0590	2.1631	2.1998	1.3627	2.1540		1.0476
H12	4.5459	4.9785	5.2551	4.8074	2.1193	2.5148	3.1750	3.2177	2.1767	2.6344	1.0476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	124.872	C1	C7	N8	125.601
H2	C1	H3	108.613	H2	C1	H4	108.141
H2	C1	C7	111.115	H3	C1	H4	108.749
H3	C1	C7	109.254	H4	C1	C7	110.905
N5	C7	N8	109.527	N5	C11	C9	105.232
N5	C11	H12	126.109	H6	N5	C7	125.546
H6	N5	C11	125.522	C7	N5	C11	108.932
C7	N8	C9	106.746	N8	C9	H10	124.418
N8	C9	C11	109.562	C9	C11	H12	128.659
H10	C9	C11	126.019

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

using model chemistry: HSEh1PBE/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	-0.601
2	H	0.186
3	H	0.219
4	H	0.186
5	N	-0.624
6	H	0.353
7	C	0.484
8	N	-0.474
9	C	-0.066
10	H	0.164
11	C	-0.008
12	H	0.181

	x	y	z	Total
	-0.499	3.601	0.002	3.636
CHELPG
AIM
ESP

	x	y	z
x	9.754	-0.126	-0.000
y	-0.126	7.876	0.000
z	-0.000	0.000	4.049

<r²>	138.133
(<r²>)^1/2	11.753

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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