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	hartrees
Energy at 0K	-262.377004
Energy at 298.15K	-262.385299
Nuclear repulsion energy	225.476560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3478	89.52
2	A	3490	3150	4.27
3	A	3463	3126	2.32
4	A	3312	2989	3.16
5	A	3244	2928	19.59
6	A	3200	2888	21.38
7	A	1729	1561	62.00
8	A	1661	1500	0.10
9	A	1660	1499	9.63
10	A	1632	1473	9.81
11	A	1579	1426	3.75
12	A	1541	1390	29.06
13	A	1475	1332	3.43
14	A	1375	1241	27.73
15	A	1250	1128	5.21
16	A	1203	1086	9.34
17	A	1172	1058	12.46
18	A	1164	1051	19.02
19	A	1097	990	18.44
20	A	1070	966	2.38
21	A	1060	957	8.20
22	A	1024	924	2.11
23	A	901	813	43.19
24	A	782	705	52.29
25	A	735	663	112.12
26	A	710	641	1.80
27	A	710	640	30.16
28	A	359	324	6.14
29	A	290	262	8.60
30	A	123	111	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	2.115	-0.027	-0.000
H2	2.490	0.484	0.881
H3	2.486	-1.040	-0.001
H4	2.490	0.486	-0.880
N5	-0.161	1.048	0.000
H6	0.156	1.990	0.000
C7	0.623	-0.075	-0.000
N8	-0.115	-1.147	0.000
C9	-1.442	-0.718	-0.000
H10	-2.249	-1.410	-0.000
C11	-1.485	0.631	-0.000
H12	-2.299	1.315	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0850	1.0795	1.0850	2.5169	2.8113	1.4924	2.4951	3.6236	4.5780	3.6594	4.6132
H2	1.0850		1.7609	1.7603	2.8500	2.9138	2.1385	3.1968	4.2053	5.1791	4.0741	4.9399
H3	1.0795	1.7609		1.7609	3.3720	3.8227	2.0984	2.6035	3.9418	4.7501	4.3088	5.3337
H4	1.0850	1.7603	1.7609		2.8494	2.9125	2.1386	3.1976	4.2056	5.1796	4.0737	4.9393
N5	2.5169	2.8500	3.3720	2.8494		0.9946	1.3696	2.1949	2.1818	3.2249	1.3877	2.1545
H6	2.8113	2.9138	3.8227	2.9125	0.9946		2.1173	3.1486	3.1453	4.1652	2.1310	2.5467
C7	1.4924	2.1385	2.0984	2.1386	1.3696	2.1173		1.3012	2.1633	3.1675	2.2233	3.2360
N8	2.4951	3.1968	2.6035	3.1976	2.1949	3.1486	1.3012		1.3948	2.1506	2.2446	3.2909
C9	3.6236	4.2053	3.9418	4.2056	2.1818	3.1453	2.1633	1.3948		1.0627	1.3504	2.2065
H10	4.5780	5.1791	4.7501	5.1796	3.2249	4.1652	3.1675	2.1506	1.0627		2.1796	2.7253
C11	3.6594	4.0741	4.3088	4.0737	1.3877	2.1310	2.2233	2.2446	1.3504	2.1796		1.0631
H12	4.6132	4.9399	5.3337	4.9393	2.1545	2.5467	3.2360	3.2909	2.2065	2.7253	1.0631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.088	C1	C7	N8	126.407
H2	C1	H3	108.882	H2	C1	H4	108.423
H2	C1	C7	111.156	H3	C1	H4	108.883
H3	C1	C7	108.286	H4	C1	C7	111.160
N5	C7	N8	110.505	N5	C11	C9	105.655
N5	C11	H12	122.510	H6	N5	C7	126.432
H6	N5	C11	126.095	C7	N5	C11	107.474
C7	N8	C9	106.673	N8	C9	H10	121.527
N8	C9	C11	109.693	C9	C11	H12	131.835
H10	C9	C11	128.780

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

using model chemistry: HF/3-21G*

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	CHELPG
1	C	-0.637	-0.359
2	H	0.223	0.094
3	H	0.261	0.131
4	H	0.223	0.094
5	N	-0.917	-0.335
6	H	0.370	0.326
7	C	0.665	0.538
8	N	-0.654	-0.640
9	C	-0.079	0.147
10	H	0.243	0.104
11	C	0.042	-0.313
12	H	0.260	0.211

	x	y	z	Total
	0.461	3.806	-0.001	3.834
CHELPG	0.403	3.758	-0.000	3.779
AIM
ESP

<r²>	138.773
(<r²>)^1/2	11.780

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

using model chemistry: HF/3-21G*

States and conformations

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