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	hartrees
Energy at 0K	-262.626891
Energy at 298.15K	-262.634749
Nuclear repulsion energy	223.938117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3500	3437	40.24
2	A	3241	3183	0.36
3	A	3213	3156	2.33
4	A	3106	3050	0.43
5	A	3041	2986	8.65
6	A	2982	2928	16.59
7	A	1555	1527	50.93
8	A	1494	1467	0.36
9	A	1490	1463	13.99
10	A	1470	1444	4.69
11	A	1396	1370	10.33
12	A	1373	1348	14.83
13	A	1347	1323	9.02
14	A	1269	1246	27.13
15	A	1164	1143	3.88
16	A	1110	1090	15.46
17	A	1085	1066	15.82
18	A	1057	1038	10.12
19	A	991	973	9.89
20	A	954	936	0.81
21	A	929	913	3.92
22	A	874	858	6.70
23	A	739	725	33.57
24	A	696	684	11.56
25	A	684	672	1.27
26	A	657	645	132.95
27	A	650	638	2.91
28	A	326	320	6.00
29	A	251	247	6.96
30	A	117	115	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	2.108	-0.024	0.000
H2	2.511	0.483	0.897
H3	2.464	-1.065	-0.000
H4	2.511	0.484	-0.896
N5	-0.165	1.056	-0.000
H6	0.154	2.027	-0.001
C7	0.634	-0.067	0.000
N8	-0.117	-1.165	-0.000
C9	-1.435	-0.731	-0.000
H10	-2.265	-1.431	-0.000
C11	-1.487	0.643	0.000
H12	-2.320	1.338	0.001

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1060	1.1008	1.1060	2.5170	2.8332	1.4752	2.5014	3.6137	4.5944	3.6563	4.6327
H2	1.1060		1.7904	1.7925	2.8801	2.9573	2.1520	3.2297	4.2255	5.2233	4.1001	4.9870
H3	1.1008	1.7904		1.7904	3.3786	3.8604	2.0851	2.5836	3.9141	4.7435	4.3043	5.3537
H4	1.1060	1.7925	1.7904		2.8796	2.9563	2.1520	3.2300	4.2256	5.2235	4.1002	4.9871
N5	2.5170	2.8801	3.3786	2.8796		1.0222	1.3782	2.2219	2.1926	3.2554	1.3848	2.1730
H6	2.8332	2.9573	3.8604	2.9563	1.0222		2.1485	3.2040	3.1833	4.2207	2.1469	2.5681
C7	1.4752	2.1520	2.0851	2.1520	1.3782	2.1485		1.3306	2.1732	3.2039	2.2360	3.2705
N8	2.5014	3.2297	2.5836	3.2300	2.2219	3.2040	1.3306		1.3878	2.1641	2.2678	3.3338
C9	3.6137	4.2255	3.9141	4.2256	2.1926	3.1833	2.1732	1.3878		1.0858	1.3744	2.2495
H10	4.5944	5.2233	4.7435	5.2235	3.2554	4.2207	3.2039	2.1641	1.0858		2.2152	2.7695
C11	3.6563	4.1001	4.3043	4.1002	1.3848	2.1469	2.2360	2.2678	1.3744	2.2152		1.0850
H12	4.6327	4.9870	5.3537	4.9871	2.1730	2.5681	3.2705	3.3338	2.2495	2.7695	1.0850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.750	C1	C7	N8	126.045
H2	C1	H3	108.451	H2	C1	H4	108.266
H2	C1	C7	112.177	H3	C1	H4	108.454
H3	C1	C7	107.190	H4	C1	C7	112.178
N5	C7	N8	110.205	N5	C11	C9	105.246
N5	C11	H12	122.786	H6	N5	C7	126.389
H6	N5	C11	125.565	C7	N5	C11	108.045
C7	N8	C9	106.131	N8	C9	H10	121.582
N8	C9	C11	110.374	C9	C11	H12	131.969
H10	C9	C11	128.045

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

using model chemistry: LSDA/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
1	C	-0.703
2	H	0.232
3	H	0.264
4	H	0.232
5	N	-0.687
6	H	0.333
7	C	0.483
8	N	-0.473
9	C	-0.112
10	H	0.208
11	C	0.003
12	H	0.222

	x	y	z	Total
	0.559	3.718	0.000	3.759
CHELPG
AIM
ESP

	x	y	z
x	9.593	0.166	-0.000
y	0.166	7.420	0.000
z	-0.000	0.000	3.387

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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