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	hartrees
Energy at 0K	-265.447133
Energy at 298.15K	-265.454724
Nuclear repulsion energy	223.123384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3543	3523	22.72
2	A	3199	3182	5.97
3	A	3170	3152	6.38
4	A	3069	3052	4.87
5	A	2992	2976	22.06
6	A	2951	2935	38.50
7	A	1529	1521	31.41
8	A	1470	1462	1.48
9	A	1447	1439	5.06
10	A	1444	1436	3.58
11	A	1382	1375	31.06
12	A	1374	1366	1.09
13	A	1335	1328	1.76
14	A	1228	1222	14.80
15	A	1142	1136	3.67
16	A	1100	1094	0.98
17	A	1069	1063	18.78
18	A	1032	1026	0.97
19	A	974	969	11.60
20	A	935	930	1.05
21	A	898	894	3.97
22	A	807	803	12.57
23	A	693	689	20.89
24	A	666	663	5.93
25	A	659	655	1.34
26	A	621	618	16.17
27	A	492	489	54.73
28	A	335	333	4.44
29	A	244	243	4.57
30	A	82	81	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	2.126	-0.023	0.000
H2	2.526	0.493	0.890
H3	2.508	-1.052	-0.001
H4	2.526	0.495	-0.889
N5	-0.168	1.059	0.000
H6	0.153	2.021	-0.001
C7	0.626	-0.072	-0.000
N8	-0.122	-1.171	0.000
C9	-1.439	-0.732	0.000
H10	-2.267	-1.436	0.000
C11	-1.496	0.645	-0.000
H12	-2.314	1.356	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1036	1.0975	1.1036	2.5368	2.8417	1.5006	2.5245	3.6354	4.6142	3.6833	4.6496
H2	1.1036		1.7837	1.7788	2.8929	2.9597	2.1721	3.2514	4.2443	5.2417	4.1217	4.9960
H3	1.0975	1.7837		1.7838	3.4084	3.8721	2.1214	2.6323	3.9599	4.7894	4.3486	5.3897
H4	1.1036	1.7788	1.7838		2.8923	2.9582	2.1721	3.2521	4.2446	5.2422	4.1214	4.9955
N5	2.5368	2.8929	3.4084	2.8923		1.0144	1.3820	2.2309	2.1965	3.2598	1.3907	2.1664
H6	2.8417	2.9597	3.8721	2.9582	1.0144		2.1461	3.2046	3.1807	4.2194	2.1473	2.5548
C7	1.5006	2.1721	2.1214	2.1721	1.3820	2.1461		1.3302	2.1688	3.1983	2.2402	3.2689
N8	2.5245	3.2514	2.6323	3.2521	2.2309	3.2046	1.3302		1.3886	2.1607	2.2778	3.3457
C9	3.6354	4.2443	3.9599	4.2446	2.1965	3.1807	2.1688	1.3886		1.0858	1.3788	2.2643
H10	4.6142	5.2417	4.7894	5.2422	3.2598	4.2194	3.1983	2.1607	1.0858		2.2192	2.7923
C11	3.6833	4.1217	4.3486	4.1214	1.3907	2.1473	2.2402	2.2778	1.3788	2.2192		1.0838
H12	4.6496	4.9960	5.3897	4.9955	2.1664	2.5548	3.2689	3.3457	2.2643	2.7923	1.0838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.242	C1	C7	N8	126.092
H2	C1	H3	108.271	H2	C1	H4	107.403
H2	C1	C7	112.140	H3	C1	H4	108.272
H3	C1	C7	108.481	H4	C1	C7	112.141
N5	C7	N8	110.666	N5	C11	C9	104.949
N5	C11	H12	121.716	H6	N5	C7	126.470
H6	N5	C11	125.736	C7	N5	C11	107.794
C7	N8	C9	105.802	N8	C9	H10	121.183
N8	C9	C11	110.789	C9	C11	H12	133.336
H10	C9	C11	128.028

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.467
2	H	0.114
3	H	0.142
4	H	0.114
5	N	-0.227
6	H	0.238
7	C	0.349
8	N	-0.274
9	C	-0.070
10	H	0.081
11	C	-0.099
12	H	0.100

	x	y	z	Total
	0.510	3.381	-0.001	3.419
CHELPG
AIM
ESP

	x	y	z
x	10.708	0.112	0.000
y	0.112	8.414	-0.000
z	0.000	-0.000	4.584

<r²>	140.759
(<r²>)^1/2	11.864

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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