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	hartrees
Energy at 0K	-265.272823
Energy at 298.15K	-265.280591
HF Energy	-265.272823
Nuclear repulsion energy	225.325760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3537	53.75
2	A	3314	3164	1.80
3	A	3284	3136	4.65
4	A	3187	3043	2.37
5	A	3123	2982	14.51
6	A	3060	2922	31.45
7	A	1625	1552	41.91
8	A	1543	1473	6.99
9	A	1511	1443	7.26
10	A	1485	1418	10.14
11	A	1457	1391	43.18
12	A	1430	1366	0.60
13	A	1404	1340	0.80
14	A	1292	1234	15.28
15	A	1213	1158	3.94
16	A	1147	1095	6.44
17	A	1117	1066	29.92
18	A	1059	1011	1.17
19	A	1012	967	7.58
20	A	973	929	2.03
21	A	931	889	2.61
22	A	872	832	10.63
23	A	732	699	62.67
24	A	692	661	5.09
25	A	688	657	0.66
26	A	644	615	14.98
27	A	533	509	74.03
28	A	350	334	5.60
29	A	252	241	6.84
30	A	72	69	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	2.081	-0.034	0.002
H2	2.468	0.145	1.008
H3	2.456	-0.992	-0.350
H4	2.460	0.755	-0.656
N5	-0.169	1.025	-0.002
H6	0.146	1.956	-0.002
C7	0.611	-0.056	-0.001
N8	-0.135	-1.131	-0.002
C9	-1.402	-0.723	0.002
H10	-2.233	-1.362	0.002
C11	-1.439	0.641	0.001
H12	-2.275	1.271	0.003

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0934	1.0879	1.0946	2.4864	2.7753	1.4704	2.4731	3.5504	4.5139	3.5837	4.5474
H2	1.0934		1.7721	1.7728	2.9577	3.1129	2.1234	3.0706	4.0920	5.0384	4.0648	4.9777
H3	1.0879	1.7721		1.7742	3.3284	3.7614	2.0981	2.6180	3.8829	4.7162	4.2374	5.2562
H4	1.0946	1.7728	1.7742		2.7223	2.6875	2.1227	3.2740	4.1866	5.1901	3.9550	4.8083
N5	2.4864	2.9577	3.3284	2.7223		0.9834	1.3326	2.1554	2.1382	3.1554	1.3264	2.1206
H6	2.7753	3.1129	3.7614	2.6875	0.9834		2.0650	3.0995	3.0937	4.0830	2.0596	2.5164
C7	1.4704	2.1234	2.0981	2.1227	1.3326	2.0650		1.3083	2.1202	3.1294	2.1646	3.1765
N8	2.4731	3.0706	2.6180	3.2740	2.1554	3.0995	1.3083		1.3306	2.1102	2.1990	3.2165
C9	3.5504	4.0920	3.8829	4.1866	2.1382	3.0937	2.1202	1.3306		1.0488	1.3635	2.1763
H10	4.5139	5.0384	4.7162	5.1901	3.1554	4.0830	3.1294	2.1102	1.0488		2.1546	2.6336
C11	3.5837	4.0648	4.2374	3.9550	1.3264	2.0596	2.1646	2.1990	1.3635	2.1546		1.0475
H12	4.5474	4.9777	5.2562	4.8083	2.1206	2.5164	3.1765	3.2165	2.1763	2.6336	1.0475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	124.943	C1	C7	N8	125.653
H2	C1	H3	108.667	H2	C1	H4	108.237
H2	C1	C7	110.977	H3	C1	H4	108.767
H3	C1	C7	109.287	H4	C1	C7	110.848
N5	C7	N8	109.404	N5	C11	C9	105.281
N5	C11	H12	126.176	H6	N5	C7	125.489
H6	N5	C11	125.519	C7	N5	C11	108.992
C7	N8	C9	106.913	N8	C9	H10	124.539
N8	C9	C11	109.409	C9	C11	H12	128.543
H10	C9	C11	126.052

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.825
2	H	0.180
3	H	0.208
4	H	0.180
5	N	-0.374
6	H	0.319
7	C	0.412
8	N	-0.283
9	C	-0.052
10	H	0.151
11	C	-0.082
12	H	0.167

	x	y	z	Total
	0.598	3.710	-0.002	3.758
CHELPG
AIM
ESP

	x	y	z
x	10.723	-0.018	0.000
y	-0.018	9.107	0.000
z	0.000	0.000	5.956

<r²>	138.835
(<r²>)^1/2	11.783

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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