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	hartrees
Energy at 0K	-264.090979
Energy at 298.15K	-264.098665
Nuclear repulsion energy	225.214965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3544	3506	42.69
2	A	3212	3177	0.36
3	A	3175	3140	3.90
4	A	3104	3070	0.42
5	A	3040	3007	7.70
6	A	2970	2938	25.39
7	A	1588	1570	38.69
8	A	1506	1489	1.16
9	A	1466	1450	14.17
10	A	1402	1386	1.35
11	A	1379	1364	10.50
12	A	1365	1350	25.76
13	A	1325	1310	1.97
14	A	1260	1246	11.61
15	A	1176	1163	3.81
16	A	1102	1090	8.30
17	A	1069	1057	27.60
18	A	995	984	2.91
19	A	971	961	9.28
20	A	919	909	0.33
21	A	901	891	3.26
22	A	824	815	7.89
23	A	697	689	30.77
24	A	684	676	1.41
25	A	680	672	10.52
26	A	638	630	14.50
27	A	544	538	59.12
28	A	334	330	5.17
29	A	246	243	5.04
30	A	88	87	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	2.096	-0.023	0.000
H2	2.506	0.488	0.897
H3	2.464	-1.066	-0.001
H4	2.506	0.490	-0.896
N5	-0.167	1.047	0.000
H6	0.160	2.015	-0.000
C7	0.621	-0.066	-0.000
N8	-0.120	-1.159	0.000
C9	-1.417	-0.731	0.000
H10	-2.256	-1.439	0.000
C11	-1.476	0.643	-0.000
H12	-2.309	1.353	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1110	1.1058	1.1110	2.5035	2.8113	1.4756	2.4897	3.5837	4.5761	3.6338	4.6153
H2	1.1110		1.7950	1.7933	2.8748	2.9402	2.1601	3.2267	4.2052	5.2147	4.0853	4.9743
H3	1.1058	1.7950		1.7951	3.3748	3.8474	2.0969	2.5855	3.8957	4.7344	4.2949	5.3514
H4	1.1110	1.7933	1.7951		2.8743	2.9387	2.1601	3.2274	4.2056	5.2153	4.0851	4.9739
N5	2.5035	2.8748	3.3748	2.8743		1.0215	1.3641	2.2065	2.1740	3.2474	1.3703	2.1639
H6	2.8113	2.9402	3.8474	2.9387	1.0215		2.1317	3.1861	3.1670	4.2152	2.1355	2.5562
C7	1.4756	2.1601	2.0969	2.1601	1.3641	2.1317		1.3201	2.1440	3.1876	2.2138	3.2559
N8	2.4897	3.2267	2.5855	3.2274	2.2065	3.1861	1.3201		1.3660	2.1542	2.2551	3.3323
C9	3.5837	4.2052	3.8957	4.2056	2.1740	3.1670	2.1440	1.3660		1.0974	1.3754	2.2676
H10	4.5761	5.2147	4.7344	5.2153	3.2474	4.2152	3.1876	2.1542	1.0974		2.2233	2.7933
C11	3.6338	4.0853	4.2949	4.0851	1.3703	2.1355	2.2138	2.2551	1.3754	2.2233		1.0949
H12	4.6153	4.9743	5.3514	4.9739	2.1639	2.5562	3.2559	3.3323	2.2676	2.7933	1.0949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.627	C1	C7	N8	125.798
H2	C1	H3	108.142	H2	C1	H4	107.619
H2	C1	C7	112.493	H3	C1	H4	108.145
H3	C1	C7	107.785	H4	C1	C7	112.495
N5	C7	N8	110.575	N5	C11	C9	104.708
N5	C11	H12	122.360	H6	N5	C7	126.047
H6	N5	C11	125.836	C7	N5	C11	108.118
C7	N8	C9	105.903	N8	C9	H10	121.583
N8	C9	C11	110.696	C9	C11	H12	132.931
H10	C9	C11	127.720

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

using model chemistry: LSDA/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	-0.113
2	H	0.083
3	H	0.093
4	H	0.083
5	N	-0.047
6	H	0.115
7	C	-0.028
8	N	-0.153
9	C	-0.051
10	H	0.019
11	C	-0.036
12	H	0.034

	x	y	z	Total
	0.630	3.515	-0.001	3.571
CHELPG
AIM
ESP

	x	y	z
x	10.818	0.078	0.000
y	0.078	8.327	-0.000
z	0.000	-0.000	4.491

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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