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	hartrees
Energy at 0K	-265.470257
Energy at 298.15K	-265.478025
HF Energy	-265.470257
Nuclear repulsion energy	225.160279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3543	59.26
2	A	3324	3166	2.30
3	A	3294	3138	5.29
4	A	3191	3040	3.50
5	A	3135	2986	16.09
6	A	3069	2923	30.29
7	A	1633	1556	44.70
8	A	1550	1477	8.51
9	A	1522	1450	7.60
10	A	1493	1422	10.36
11	A	1470	1400	46.50
12	A	1436	1368	0.66
13	A	1411	1344	0.70
14	A	1293	1232	15.36
15	A	1210	1153	4.92
16	A	1150	1095	5.52
17	A	1119	1066	30.92
18	A	1071	1020	1.12
19	A	1016	968	7.29
20	A	977	931	2.79
21	A	935	891	2.33
22	A	892	850	9.19
23	A	750	714	65.17
24	A	695	663	3.29
25	A	686	654	0.69
26	A	645	615	13.58
27	A	534	509	78.62
28	A	350	334	5.63
29	A	253	241	7.05
30	A	50	48	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	2.110	-0.024	0.000
H2	2.499	0.486	0.887
H3	2.485	-1.048	-0.001
H4	2.499	0.488	-0.886
N5	-0.166	1.047	-0.000
H6	0.160	1.999	-0.001
C7	0.620	-0.069	-0.000
N8	-0.121	-1.156	-0.000
C9	-1.427	-0.725	-0.000
H10	-2.251	-1.425	-0.000
C11	-1.482	0.640	0.000
H12	-2.303	1.339	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0949	1.0906	1.0949	2.5152	2.8097	1.4913	2.5025	3.6064	4.5800	3.6532	4.6188
H2	1.0949		1.7729	1.7737	2.8641	2.9235	2.1514	3.2176	4.2039	5.1958	4.0819	4.9572
H3	1.0906	1.7729		1.7729	3.3787	3.8327	2.1067	2.6088	3.9257	4.7505	4.3115	5.3502
H4	1.0949	1.7737	1.7729		2.8634	2.9219	2.1515	3.2182	4.2042	5.1964	4.0817	4.9569
N5	2.5152	2.8641	3.3787	2.8634		1.0065	1.3647	2.2038	2.1755	3.2334	1.3780	2.1571
H6	2.8097	2.9235	3.8327	2.9219	1.0065		2.1187	3.1682	3.1534	4.1875	2.1321	2.5501
C7	1.4913	2.1514	2.1067	2.1515	1.3647	2.1187		1.3157	2.1495	3.1740	2.2182	3.2442
N8	2.5025	3.2176	2.6088	3.2182	2.2038	3.1682	1.3157		1.3752	2.1458	2.2536	3.3148
C9	3.6064	4.2039	3.9257	4.2042	2.1755	3.1534	2.1495	1.3752		1.0800	1.3664	2.2427
H10	4.5800	5.1958	4.7505	5.1964	3.2334	4.1875	3.1740	2.1458	1.0800		2.2029	2.7646
C11	3.6532	4.0819	4.3115	4.0817	1.3780	2.1321	2.2182	2.2536	1.3664	2.2029		1.0783
H12	4.6188	4.9572	5.3502	4.9569	2.1571	2.5501	3.2442	3.3148	2.2427	2.7646	1.0783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.388	C1	C7	N8	126.015
H2	C1	H3	108.426	H2	C1	H4	108.178
H2	C1	C7	111.670	H3	C1	H4	108.426
H3	C1	C7	108.371	H4	C1	C7	111.672
N5	C7	N8	110.597	N5	C11	C9	104.875
N5	C11	H12	122.380	H6	N5	C7	125.968
H6	N5	C11	126.081	C7	N5	C11	107.951
C7	N8	C9	106.009	N8	C9	H10	121.382
N8	C9	C11	110.568	C9	C11	H12	132.745
H10	C9	C11	128.050

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.745
2	H	0.172
3	H	0.202
4	H	0.172
5	N	-0.398
6	H	0.323
7	C	0.405
8	N	-0.314
9	C	-0.063
10	H	0.153
11	C	-0.078
12	H	0.170

	x	y	z	Total
	0.595	3.768	-0.000	3.815
CHELPG
AIM
ESP

	x	y	z
x	10.496	0.005	0.000
y	0.005	9.044	-0.000
z	0.000	-0.000	5.953

<r²>	138.944
(<r²>)^1/2	11.787

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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