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	hartrees
Energy at 0K	-263.888303
Energy at 298.15K	-263.896405
Nuclear repulsion energy	227.180335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3924	3553	77.90
2	A	3434	3109	6.19
3	A	3402	3080	7.61
4	A	3292	2981	7.49
5	A	3224	2919	26.10
6	A	3172	2872	30.80
7	A	1767	1600	62.24
8	A	1668	1510	9.38
9	A	1626	1472	13.91
10	A	1602	1451	5.84
11	A	1578	1428	40.44
12	A	1540	1395	1.15
13	A	1500	1358	3.12
14	A	1374	1244	14.42
15	A	1251	1133	10.62
16	A	1231	1115	1.74
17	A	1171	1060	29.69
18	A	1160	1051	1.52
19	A	1093	990	10.34
20	A	1049	950	4.74
21	A	1001	906	2.29
22	A	986	893	5.07
23	A	838	759	40.67
24	A	758	686	8.90
25	A	719	651	1.67
26	A	692	627	8.42
27	A	533	483	88.22
28	A	372	337	5.51
29	A	282	256	8.29
30	A	93	85	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	2.099	-0.025	0.000
H2	2.477	0.489	0.879
H3	2.478	-1.037	-0.001
H4	2.477	0.491	-0.878
N5	-0.162	1.039	0.000
H6	0.162	1.975	-0.001
C7	0.605	-0.072	-0.000
N8	-0.114	-1.142	-0.000
C9	-1.420	-0.715	0.000
H10	-2.234	-1.409	0.000
C11	-1.473	0.628	-0.000
H12	-2.289	1.318	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0865	1.0809	1.0865	2.4993	2.7841	1.4942	2.4790	3.5858	4.5487	3.6313	4.5886
H2	1.0865		1.7619	1.7571	2.8359	2.8883	2.1428	3.1857	4.1725	5.1548	4.0494	4.9167
H3	1.0809	1.7619		1.7619	3.3595	3.7997	2.1071	2.5949	3.9117	4.7274	4.2882	5.3172
H4	1.0865	1.7571	1.7619		2.8353	2.8864	2.1428	3.1865	4.1729	5.1554	4.0491	4.9162
N5	2.4993	2.8359	3.3595	2.8353		0.9899	1.3509	2.1819	2.1587	3.2073	1.3738	2.1446
H6	2.7841	2.8883	3.7997	2.8864	0.9899		2.0943	3.1289	3.1204	4.1460	2.1182	2.5372
C7	1.4942	2.1428	2.1071	2.1428	1.3509	2.0943		1.2894	2.1249	3.1385	2.1933	3.2106
N8	2.4790	3.1857	2.5949	3.1865	2.1819	3.1289	1.2894		1.3736	2.1367	2.2315	3.2831
C9	3.5858	4.1725	3.9117	4.1729	2.1587	3.1204	2.1249	1.3736		1.0698	1.3443	2.2108
H10	4.5487	5.1548	4.7274	5.1554	3.2073	4.1460	3.1385	2.1367	1.0698		2.1745	2.7271
C11	3.6313	4.0494	4.2882	4.0491	1.3738	2.1182	2.1933	2.2315	1.3443	2.1745		1.0681
H12	4.5886	4.9167	5.3172	4.9162	2.1446	2.5372	3.2106	3.2831	2.2108	2.7271	1.0681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.833	C1	C7	N8	125.729
H2	C1	H3	108.763	H2	C1	H4	107.926
H2	C1	C7	111.279	H3	C1	H4	108.764
H3	C1	C7	108.764	H4	C1	C7	111.282
N5	C7	N8	111.438	N5	C11	C9	105.149
N5	C11	H12	122.366	H6	N5	C7	126.248
H6	N5	C11	126.539	C7	N5	C11	107.214
C7	N8	C9	105.825	N8	C9	H10	121.471
N8	C9	C11	110.374	C9	C11	H12	132.485
H10	C9	C11	128.155

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

using model chemistry: HF/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	-0.494
2	H	0.150
3	H	0.183
4	H	0.150
5	N	-0.409
6	H	0.309
7	C	0.360
8	N	-0.353
9	C	-0.099
10	H	0.150
11	C	-0.111
12	H	0.166

	x	y	z	Total
	0.546	3.565	-0.002	3.606
CHELPG
AIM
ESP

	x	y	z
x	9.188	0.134	0.000
y	0.134	7.817	-0.000
z	0.000	-0.000	4.462

<r²>	136.740
(<r²>)^1/2	11.694

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

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

States and conformations

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