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	hartrees
Energy at 0K	-265.219778
Energy at 298.15K	-265.227380
Nuclear repulsion energy	223.565199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3573	3524	27.38
2	A	3220	3176	3.76
3	A	3188	3144	6.69
4	A	3103	3061	3.02
5	A	3033	2991	17.69
6	A	2976	2935	33.86
7	A	1555	1534	33.34
8	A	1490	1470	4.25
9	A	1460	1440	1.42
10	A	1448	1428	7.73
11	A	1404	1385	37.54
12	A	1381	1362	0.17
13	A	1358	1340	1.13
14	A	1247	1230	14.41
15	A	1169	1153	2.48
16	A	1108	1093	5.01
17	A	1081	1066	21.65
18	A	1023	1009	1.95
19	A	976	962	9.10
20	A	937	924	0.52
21	A	895	883	3.39
22	A	812	801	11.29
23	A	692	682	30.46
24	A	666	657	1.30
25	A	664	655	5.02
26	A	624	615	17.98
27	A	501	494	64.60
28	A	337	332	4.99
29	A	242	238	5.27
30	A	85	83	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	2.118	-0.021	0.000
H2	2.520	0.491	0.892
H3	2.493	-1.054	-0.001
H4	2.520	0.493	-0.891
N5	-0.170	1.057	0.000
H6	0.152	2.021	-0.001
C7	0.625	-0.069	-0.000
N8	-0.120	-1.171	-0.000
C9	-1.431	-0.733	0.000
H10	-2.262	-1.438	0.000
C11	-1.492	0.645	0.000
H12	-2.317	1.353	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1042	1.0984	1.1042	2.5296	2.8352	1.4947	2.5163	3.6206	4.6039	3.6712	4.6434
H2	1.1042		1.7845	1.7826	2.8898	2.9573	2.1686	3.2446	4.2320	5.2331	4.1127	4.9935
H3	1.0984	1.7845		1.7845	3.3984	3.8649	2.1124	2.6159	3.9380	4.7710	4.3323	5.3788
H4	1.1042	1.7826	1.7845		2.8892	2.9555	2.1686	3.2453	4.2324	5.2338	4.1125	4.9932
N5	2.5296	2.8898	3.3984	2.8892		1.0162	1.3784	2.2290	2.1908	3.2566	1.3850	2.1676
H6	2.8352	2.9573	3.8649	2.9555	1.0162		2.1432	3.2040	3.1776	4.2185	2.1440	2.5581
C7	1.4947	2.1686	2.1124	2.1686	1.3784	2.1432		1.3298	2.1607	3.1947	2.2336	3.2672
N8	2.5163	3.2446	2.6159	3.2453	2.2290	3.2040	1.3298		1.3827	2.1588	2.2762	3.3462
C9	3.6206	4.2320	3.9380	4.2324	2.1908	3.1776	2.1607	1.3827		1.0892	1.3799	2.2663
H10	4.6039	5.2331	4.7710	5.2338	3.2566	4.2185	3.1947	2.1588	1.0892		2.2210	2.7913
C11	3.6712	4.1127	4.3323	4.1125	1.3850	2.1440	2.2336	2.2762	1.3799	2.2210		1.0870
H12	4.6434	4.9935	5.3788	4.9932	2.1676	2.5581	3.2672	3.3462	2.2663	2.7913	1.0870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.344	C1	C7	N8	125.877
H2	C1	H3	108.220	H2	C1	H4	107.648
H2	C1	C7	112.241	H3	C1	H4	108.221
H3	C1	C7	108.127	H4	C1	C7	112.243
N5	C7	N8	110.778	N5	C11	C9	104.813
N5	C11	H12	122.071	H6	N5	C7	126.356
H6	N5	C11	125.781	C7	N5	C11	107.863
C7	N8	C9	105.590	N8	C9	H10	121.241
N8	C9	C11	110.957	C9	C11	H12	133.117
H10	C9	C11	127.802

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

using model chemistry: PBEPBE/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	-0.437
2	H	0.137
3	H	0.166
4	H	0.136
5	N	-0.500
6	H	0.261
7	C	0.434
8	N	-0.451
9	C	-0.003
10	H	0.096
11	C	0.050
12	H	0.112

	x	y	z	Total
	0.537	3.496	-0.001	3.537
CHELPG
AIM
ESP

	x	y	z
x	10.389	0.119	0.000
y	0.119	8.235	-0.000
z	0.000	-0.000	4.163

<r²>	140.037
(<r²>)^1/2	11.834

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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