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	hartrees
Energy at 0K	-265.410344
Energy at 298.15K	-265.418118
HF Energy	-265.064164
Nuclear repulsion energy	225.306632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3672	3523	49.31
2	A	3295	3161	2.47
3	A	3267	3134	4.49
4	A	3165	3037	3.40
5	A	3103	2977	16.95
6	A	3051	2927	29.47
7	A	1593	1528	34.96
8	A	1524	1463	2.07
9	A	1506	1445	4.44
10	A	1499	1439	6.86
11	A	1446	1388	38.11
12	A	1425	1367	0.31
13	A	1392	1335	1.41
14	A	1282	1230	14.06
15	A	1183	1135	5.19
16	A	1138	1091	1.82
17	A	1104	1059	24.71
18	A	1072	1029	0.64
19	A	1010	969	10.46
20	A	971	932	1.96
21	A	930	893	2.85
22	A	870	834	9.37
23	A	735	705	47.17
24	A	693	665	4.58
25	A	681	654	0.99
26	A	648	621	11.16
27	A	521	500	66.21
28	A	347	333	5.00
29	A	253	243	6.04
30	A	69	66	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.107	-0.024	0.000
H2	2.495	0.486	0.882
H3	2.481	-1.043	-0.001
H4	2.495	0.488	-0.881
N5	-0.165	1.049	0.000
H6	0.157	1.999	-0.001
C7	0.620	-0.070	-0.000
N8	-0.120	-1.158	-0.000
C9	-1.427	-0.725	0.000
H10	-2.247	-1.420	0.000
C11	-1.481	0.639	-0.000
H12	-2.298	1.336	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0905	1.0855	1.0905	2.5124	2.8098	1.4876	2.4987	3.6023	4.5722	3.6487	4.6097
H2	1.0905		1.7659	1.7634	2.8584	2.9214	2.1456	3.2123	4.1982	5.1864	4.0757	4.9467
H3	1.0855	1.7659		1.7659	3.3730	3.8283	2.1003	2.6033	3.9205	4.7432	4.3046	5.3382
H4	1.0905	1.7634	1.7659		2.8579	2.9198	2.1456	3.2130	4.1985	5.1870	4.0754	4.9462
N5	2.5124	2.8584	3.3730	2.8579		1.0038	1.3665	2.2075	2.1769	3.2294	1.3782	2.1518
H6	2.8098	2.9214	3.8283	2.9198	1.0038		2.1202	3.1698	3.1517	4.1800	2.1293	2.5427
C7	1.4876	2.1456	2.1003	2.1456	1.3665	2.1202		1.3160	2.1489	3.1690	2.2174	3.2386
N8	2.4987	3.2123	2.6033	3.2130	2.2075	3.1698	1.3160		1.3768	2.1435	2.2551	3.3117
C9	3.6023	4.1982	3.9205	4.1985	2.1769	3.1517	2.1489	1.3768		1.0750	1.3659	2.2383
H10	4.5722	5.1864	4.7432	5.1870	3.2294	4.1800	3.1690	2.1435	1.0750		2.1972	2.7568
C11	3.6487	4.0757	4.3046	4.0754	1.3782	2.1293	2.2174	2.2551	1.3659	2.1972		1.0735
H12	4.6097	4.9467	5.3382	4.9462	2.1518	2.5427	3.2386	3.3117	2.2383	2.7568	1.0735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.300	C1	C7	N8	125.951
H2	C1	H3	108.490	H2	C1	H4	107.898
H2	C1	C7	111.727	H3	C1	H4	108.492
H3	C1	C7	108.409	H4	C1	C7	111.729
N5	C7	N8	110.749	N5	C11	C9	104.990
N5	C11	H12	122.232	H6	N5	C7	126.208
H6	N5	C11	126.009	C7	N5	C11	107.783
C7	N8	C9	105.863	N8	C9	H10	121.430
N8	C9	C11	110.615	C9	C11	H12	132.778
H10	C9	C11	127.955

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

using model chemistry: B2PLYP/cc-pVTZ

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	-0.303
2	H	0.103
3	H	0.128
4	H	0.103
5	N	-0.104
6	H	0.170
7	C	0.126
8	N	-0.239
9	C	-0.104
10	H	0.138
11	C	-0.166
12	H	0.148

	x	y	z
x	10.773	0.045	0.000
y	0.045	8.750	0.000
z	0.000	0.000	5.439

<r²>	138.782
(<r²>)^1/2	11.781

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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