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	hartrees
Energy at 0K	-265.649723
Energy at 298.15K	-265.657484
HF Energy	-265.649723
Nuclear repulsion energy	225.083079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3516	35.20
2	A	3264	3161	4.56
3	A	3235	3132	5.94
4	A	3135	3035	5.07
5	A	3064	2967	21.28
6	A	3019	2923	35.59
7	A	1587	1537	33.24
8	A	1519	1471	2.30
9	A	1497	1449	5.80
10	A	1495	1448	6.10
11	A	1438	1393	36.89
12	A	1418	1373	0.47
13	A	1383	1340	1.39
14	A	1271	1231	14.03
15	A	1178	1140	4.96
16	A	1135	1099	1.64
17	A	1098	1063	23.86
18	A	1062	1028	0.51
19	A	1003	971	11.02
20	A	963	932	1.81
21	A	920	891	3.21
22	A	863	835	10.31
23	A	732	708	48.08
24	A	687	665	2.89
25	A	673	652	1.16
26	A	641	621	12.92
27	A	527	510	60.69
28	A	340	329	4.95
29	A	250	242	5.47
30	A	79	77	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.112	-0.025	0.000
H2	2.499	0.487	0.885
H3	2.487	-1.046	-0.001
H4	2.499	0.490	-0.884
N5	-0.164	1.051	0.000
H6	0.159	2.004	-0.001
C7	0.618	-0.072	-0.000
N8	-0.119	-1.157	-0.000
C9	-1.431	-0.726	-0.000
H10	-2.252	-1.425	0.000
C11	-1.483	0.639	0.000
H12	-2.302	1.338	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0936	1.0876	1.0936	2.5176	2.8164	1.4946	2.5019	3.6111	4.5824	3.6559	4.6197
H2	1.0936		1.7715	1.7685	2.8623	2.9259	2.1527	3.2162	4.2067	5.1969	4.0821	4.9553
H3	1.0876	1.7715		1.7715	3.3802	3.8371	2.1078	2.6086	3.9307	4.7536	4.3129	5.3498
H4	1.0936	1.7685	1.7715		2.8616	2.9236	2.1527	3.2170	4.2072	5.1976	4.0818	4.9549
N5	2.5176	2.8623	3.3802	2.8616		1.0065	1.3680	2.2082	2.1815	3.2381	1.3818	2.1570
H6	2.8164	2.9259	3.8371	2.9236	1.0065		2.1257	3.1732	3.1585	4.1912	2.1354	2.5492
C7	1.4946	2.1527	2.1078	2.1527	1.3680	2.1257		1.3123	2.1505	3.1726	2.2181	3.2426
N8	2.5019	3.2162	2.6086	3.2170	2.2082	3.1732	1.3123		1.3805	2.1489	2.2550	3.3153
C9	3.6111	4.2067	3.9307	4.2072	2.1815	3.1585	2.1505	1.3805		1.0784	1.3653	2.2403
H10	4.5824	5.1969	4.7536	5.1976	3.2381	4.1912	3.1726	2.1489	1.0784		2.2020	2.7637
C11	3.6559	4.0821	4.3129	4.0818	1.3818	2.1354	2.2181	2.2550	1.3653	2.2020		1.0770
H12	4.6197	4.9553	5.3498	4.9549	2.1570	2.5492	3.2426	3.3153	2.2403	2.7637	1.0770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.102	C1	C7	N8	125.963
H2	C1	H3	108.609	H2	C1	H4	107.911
H2	C1	C7	111.615	H3	C1	H4	108.609
H3	C1	C7	108.397	H4	C1	C7	111.618
N5	C7	N8	110.935	N5	C11	C9	105.139
N5	C11	H12	122.142	H6	N5	C7	126.399
H6	N5	C11	126.068	C7	N5	C11	107.533
C7	N8	C9	105.971	N8	C9	H10	121.356
N8	C9	C11	110.423	C9	C11	H12	132.720
H10	C9	C11	128.221

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.218
2	H	0.078
3	H	0.100
4	H	0.078
5	N	-0.071
6	H	0.149
7	C	0.116
8	N	-0.231
9	C	-0.076
10	H	0.098
11	C	-0.126
12	H	0.101

	x	y	z	Total
	0.560	3.497	-0.001	3.541
CHELPG
AIM
ESP

	x	y	z
x	11.049	0.034	0.000
y	0.034	8.894	-0.000
z	0.000	-0.000	5.477

<r²>	138.885
(<r²>)^1/2	11.785

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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