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	hartrees
Energy at 0K	-265.537150
Energy at 298.15K	-265.544915
HF Energy	-265.537150
Nuclear repulsion energy	225.812807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3540	58.43
2	A	3308	3159	1.41
3	A	3279	3131	4.88
4	A	3180	3037	3.51
5	A	3124	2984	15.76
6	A	3064	2926	26.96
7	A	1626	1553	44.84
8	A	1544	1474	7.36
9	A	1516	1448	5.46
10	A	1489	1422	10.47
11	A	1462	1397	45.82
12	A	1429	1365	0.15
13	A	1405	1342	0.99
14	A	1290	1232	15.32
15	A	1200	1146	6.14
16	A	1150	1099	4.22
17	A	1115	1065	31.05
18	A	1070	1022	0.83
19	A	1018	972	8.36
20	A	978	934	3.37
21	A	941	899	2.17
22	A	890	850	9.39
23	A	749	715	56.12
24	A	695	663	2.44
25	A	688	657	0.67
26	A	649	620	14.33
27	A	536	512	71.88
28	A	352	336	5.40
29	A	250	239	5.97
30	A	48	46	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	2.104	-0.024	0.000
H2	2.491	0.486	0.885
H3	2.479	-1.045	-0.001
H4	2.491	0.488	-0.884
N5	-0.166	1.044	-0.000
H6	0.158	1.994	-0.001
C7	0.618	-0.069	-0.000
N8	-0.120	-1.152	-0.000
C9	-1.423	-0.723	-0.000
H10	-2.243	-1.421	-0.000
C11	-1.479	0.636	0.000
H12	-2.298	1.333	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0924	1.0879	1.0924	2.5087	2.8032	1.4874	2.4943	3.5956	4.5667	3.6431	4.6067
H2	1.0924		1.7691	1.7697	2.8560	2.9160	2.1455	3.2073	4.1910	5.1805	4.0702	4.9436
H3	1.0879	1.7691		1.7691	3.3700	3.8235	2.1014	2.6008	3.9146	4.7368	4.2996	5.3360
H4	1.0924	1.7697	1.7691		2.8554	2.9145	2.1455	3.2079	4.1913	5.1810	4.0700	4.9433
N5	2.5087	2.8560	3.3700	2.8554		1.0037	1.3609	2.1963	2.1677	3.2233	1.3742	2.1515
H6	2.8032	2.9160	3.8235	2.9145	1.0037		2.1133	3.1581	3.1427	4.1744	2.1260	2.5430
C7	1.4874	2.1455	2.1014	2.1455	1.3609	2.1133		1.3104	2.1424	3.1643	2.2117	3.2353
N8	2.4943	3.2073	2.6008	3.2079	2.1963	3.1581	1.3104		1.3717	2.1403	2.2461	3.3048
C9	3.5956	4.1910	3.9146	4.1913	2.1677	3.1427	2.1424	1.3717		1.0776	1.3602	2.2347
H10	4.5667	5.1805	4.7368	5.1810	3.2233	4.1744	3.1643	2.1403	1.0776		2.1950	2.7551
C11	3.6431	4.0702	4.2996	4.0700	1.3742	2.1260	2.2117	2.2461	1.3602	2.1950		1.0758
H12	4.6067	4.9436	5.3360	4.9433	2.1515	2.5430	3.2353	3.3048	2.2347	2.7551	1.0758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.405	C1	C7	N8	126.005
H2	C1	H3	108.469	H2	C1	H4	108.195
H2	C1	C7	111.621	H3	C1	H4	108.469
H3	C1	C7	108.373	H4	C1	C7	111.622
N5	C7	N8	110.590	N5	C11	C9	104.884
N5	C11	H12	122.375	H6	N5	C7	126.013
H6	N5	C11	126.067	C7	N5	C11	107.920
C7	N8	C9	106.004	N8	C9	H10	121.351
N8	C9	C11	110.602	C9	C11	H12	132.741
H10	C9	C11	128.047

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

using model chemistry: wB97X-D/TZVP

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	-0.479
2	H	0.136
3	H	0.167
4	H	0.136
5	N	-0.138
6	H	0.250
7	C	0.039
8	N	-0.110
9	C	-0.120
10	H	0.126
11	C	-0.142
12	H	0.134

	x	y	z	Total
	0.588	3.714	-0.000	3.761
CHELPG
AIM
ESP

	x	y	z
x	10.330	0.062	0.000
y	0.062	8.754	-0.000
z	0.000	-0.000	5.687

<r²>	138.187
(<r²>)^1/2	11.755

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

using model chemistry: wB97X-D/TZVP

States and conformations

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