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	hartrees
Energy at 0K	-265.516566
Energy at 298.15K	-265.524376
HF Energy	-265.516566
Nuclear repulsion energy	225.602935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3705	3544	55.37
2	A	3297	3154	2.97
3	A	3265	3123	6.38
4	A	3172	3034	4.39
5	A	3115	2980	19.56
6	A	3055	2922	29.11
7	A	1631	1560	46.62
8	A	1545	1478	5.42
9	A	1517	1451	6.70
10	A	1487	1422	9.66
11	A	1464	1400	41.92
12	A	1429	1367	0.67
13	A	1402	1341	0.52
14	A	1289	1233	14.88
15	A	1203	1150	4.54
16	A	1146	1096	3.68
17	A	1115	1066	31.14
18	A	1069	1023	1.50
19	A	1016	972	8.91
20	A	976	933	2.38
21	A	938	897	2.68
22	A	892	853	8.43
23	A	751	719	51.39
24	A	702	672	3.59
25	A	687	658	1.01
26	A	652	624	13.02
27	A	549	525	77.00
28	A	349	334	5.36
29	A	255	244	6.37
30	A	63	60	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	2.106	-0.023	0.000
H2	2.493	0.488	0.886
H3	2.480	-1.046	-0.001
H4	2.493	0.490	-0.885
N5	-0.167	1.045	-0.000
H6	0.157	1.996	-0.001
C7	0.617	-0.069	-0.000
N8	-0.119	-1.155	-0.000
C9	-1.422	-0.724	-0.000
H10	-2.244	-1.423	-0.000
C11	-1.480	0.637	0.000
H12	-2.300	1.335	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0939	1.0890	1.0939	2.5107	2.8061	1.4893	2.4961	3.5970	4.5694	3.6457	4.6100
H2	1.0939		1.7717	1.7717	2.8586	2.9191	2.1485	3.2105	4.1935	5.1844	4.0734	4.9474
H3	1.0890	1.7717		1.7717	3.3724	3.8273	2.1029	2.6009	3.9151	4.7385	4.3022	5.3396
H4	1.0939	1.7717	1.7717		2.8579	2.9176	2.1486	3.2111	4.1939	5.1849	4.0733	4.9471
N5	2.5107	2.8586	3.3724	2.8579		1.0047	1.3622	2.2000	2.1693	3.2259	1.3749	2.1528
H6	2.8061	2.9191	3.8273	2.9176	1.0047		2.1161	3.1628	3.1453	4.1780	2.1271	2.5439
C7	1.4893	2.1485	2.1029	2.1486	1.3622	2.1161		1.3114	2.1419	3.1651	2.2127	3.2374
N8	2.4961	3.2105	2.6009	3.2111	2.2000	3.1628	1.3114		1.3725	2.1417	2.2500	3.3098
C9	3.5970	4.1935	3.9151	4.1939	2.1693	3.1453	2.1419	1.3725		1.0788	1.3626	2.2384
H10	4.5694	5.1844	4.7385	5.1849	3.2259	4.1780	3.1651	2.1417	1.0788		2.1977	2.7590
C11	3.6457	4.0734	4.3022	4.0733	1.3749	2.1271	2.2127	2.2500	1.3626	2.1977		1.0768
H12	4.6100	4.9474	5.3396	4.9471	2.1528	2.5439	3.2374	3.3098	2.2384	2.7590	1.0768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.334	C1	C7	N8	125.935
H2	C1	H3	108.509	H2	C1	H4	108.159
H2	C1	C7	111.640	H3	C1	H4	108.509
H3	C1	C7	108.291	H4	C1	C7	111.642
N5	C7	N8	110.731	N5	C11	C9	104.826
N5	C11	H12	122.357	H6	N5	C7	126.101
H6	N5	C11	126.020	C7	N5	C11	107.879
C7	N8	C9	105.862	N8	C9	H10	121.314
N8	C9	C11	110.701	C9	C11	H12	132.817
H10	C9	C11	127.985

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

using model chemistry: wB97X-D/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	-0.305
2	H	0.131
3	H	0.154
4	H	0.131
5	N	-0.390
6	H	0.241
7	C	0.239
8	N	-0.329
9	C	-0.097
10	H	0.109
11	C	-0.003
12	H	0.119

	x	y	z	Total
	0.557	3.640	0.000	3.683
CHELPG
AIM
ESP

	x	y	z
x	10.095	0.095	0.000
y	0.095	8.250	-0.000
z	0.000	-0.000	4.813

<r²>	138.218
(<r²>)^1/2	11.757

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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