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	hartrees
Energy at 0K	-265.479740
Energy at 298.15K	-265.487543
Nuclear repulsion energy	225.913595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3532	36.32
2	A	3288	3152	6.40
3	A	3256	3121	8.82
4	A	3169	3038	5.69
5	A	3101	2973	23.48
6	A	3048	2921	35.98
7	A	1624	1557	42.66
8	A	1544	1480	4.58
9	A	1515	1453	3.28
10	A	1498	1436	9.26
11	A	1459	1399	43.19
12	A	1432	1373	0.75
13	A	1405	1346	0.70
14	A	1290	1237	14.43
15	A	1205	1155	3.61
16	A	1144	1097	5.20
17	A	1116	1070	27.95
18	A	1064	1020	1.39
19	A	1012	970	9.22
20	A	972	932	1.80
21	A	927	889	3.13
22	A	855	819	12.72
23	A	723	693	44.95
24	A	694	666	9.12
25	A	685	656	1.17
26	A	648	621	17.21
27	A	543	521	75.08
28	A	345	330	5.12
29	A	253	243	6.05
30	A	93	90	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	2.100	-0.023	0.000
H2	2.496	0.486	0.883
H3	2.476	-1.043	-0.001
H4	2.496	0.487	-0.882
N5	-0.167	1.046	0.000
H6	0.152	1.999	-0.001
C7	0.616	-0.069	-0.000
N8	-0.119	-1.154	-0.000
C9	-1.419	-0.725	-0.000
H10	-2.239	-1.426	0.000
C11	-1.477	0.637	0.000
H12	-2.297	1.336	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0931	1.0874	1.0931	2.5068	2.8079	1.4852	2.4913	3.5889	4.5609	3.6379	4.6023
H2	1.0931		1.7661	1.7657	2.8610	2.9267	2.1498	3.2104	4.1918	5.1821	4.0727	4.9468
H3	1.0874	1.7661		1.7661	3.3692	3.8284	2.0996	2.5975	3.9081	4.7309	4.2955	5.3329
H4	1.0931	1.7657	1.7661		2.8605	2.9252	2.1498	3.2110	4.1921	5.1826	4.0725	4.9465
N5	2.5068	2.8610	3.3692	2.8605		1.0050	1.3628	2.2010	2.1688	3.2256	1.3723	2.1492
H6	2.8079	2.9267	3.8284	2.9252	1.0050		2.1198	3.1651	3.1445	4.1771	2.1234	2.5368
C7	1.4852	2.1498	2.0996	2.1498	1.3628	2.1198		1.3106	2.1380	3.1612	2.2091	3.2340
N8	2.4913	3.2104	2.5975	3.2110	2.2010	3.1651	1.3106		1.3691	2.1375	2.2481	3.3082
C9	3.5889	4.1918	3.9081	4.1921	2.1688	3.1445	2.1380	1.3691		1.0790	1.3633	2.2400
H10	4.5609	5.1821	4.7309	5.1826	3.2256	4.1771	3.1612	2.1375	1.0790		2.1994	2.7626
C11	3.6379	4.0727	4.2955	4.0725	1.3723	2.1234	2.2091	2.2481	1.3633	2.1994		1.0771
H12	4.6023	4.9468	5.3329	4.9465	2.1492	2.5368	3.2340	3.3082	2.2400	2.7626	1.0771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.277	C1	C7	N8	125.908
H2	C1	H3	108.186	H2	C1	H4	107.736
H2	C1	C7	112.089	H3	C1	H4	108.187
H3	C1	C7	108.413	H4	C1	C7	112.092
N5	C7	N8	110.814	N5	C11	C9	104.896
N5	C11	H12	122.207	H6	N5	C7	126.417
H6	N5	C11	125.846	C7	N5	C11	107.736
C7	N8	C9	105.830	N8	C9	H10	121.196
N8	C9	C11	110.724	C9	C11	H12	132.897
H10	C9	C11	128.080

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

using model chemistry: B1B95/6-311G*

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	-0.726
2	H	0.231
3	H	0.259
4	H	0.231
5	N	-0.565
6	H	0.353
7	C	0.398
8	N	-0.328
9	C	-0.202
10	H	0.198
11	C	-0.064
12	H	0.216

	x	y	z	Total
	0.510	3.613	-0.001	3.649
CHELPG
AIM
ESP

	x	y	z
x	10.207	0.089	0.000
y	0.089	8.210	0.000
z	0.000	0.000	4.730

<r²>	137.862
(<r²>)^1/2	11.741

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

using model chemistry: B1B95/6-311G*

States and conformations

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