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	hartrees
Energy at 0K	-264.069352
Energy at 298.15K	-264.077263
Nuclear repulsion energy	222.996595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3584	3448	40.57
2	A	3314	3188	3.08
3	A	3289	3164	3.11
4	A	3161	3041	2.71
5	A	3089	2972	18.67
6	A	3046	2930	24.62
7	A	1572	1512	41.86
8	A	1557	1498	9.65
9	A	1551	1492	3.08
10	A	1491	1434	5.06
11	A	1462	1406	4.61
12	A	1404	1351	13.40
13	A	1356	1305	4.99
14	A	1279	1230	26.77
15	A	1159	1115	6.41
16	A	1103	1061	11.86
17	A	1103	1061	5.81
18	A	1096	1054	8.93
19	A	1011	972	11.78
20	A	976	939	3.47
21	A	944	908	3.21
22	A	908	873	5.53
23	A	769	740	43.06
24	A	701	675	5.42
25	A	673	648	1.27
26	A	656	631	18.22
27	A	643	618	113.72
28	A	334	321	5.31
29	A	256	246	6.55
30	A	115	111	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	2.128	-0.024	-0.000
H2	2.517	0.487	0.890
H3	2.493	-1.052	-0.001
H4	2.517	0.489	-0.889
N5	-0.167	1.062	0.000
H6	0.149	2.024	-0.000
C7	0.634	-0.070	-0.000
N8	-0.116	-1.170	0.000
C9	-1.448	-0.730	-0.000
H10	-2.267	-1.427	0.000
C11	-1.498	0.641	-0.000
H12	-2.322	1.332	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0971	1.0913	1.0971	2.5386	2.8473	1.4950	2.5202	3.6454	4.6140	3.6870	4.6525
H2	1.0971		1.7783	1.7785	2.8853	2.9597	2.1561	3.2360	4.2422	5.2294	4.1158	4.9927
H3	1.0913	1.7783		1.7783	3.3977	3.8671	2.1028	2.6125	3.9547	4.7755	4.3362	5.3737
H4	1.0971	1.7785	1.7783		2.8847	2.9584	2.1561	3.2366	4.2425	5.2298	4.1155	4.9922
N5	2.5386	2.8853	3.3977	2.8847		1.0124	1.3866	2.2323	2.2031	3.2570	1.3964	2.1726
H6	2.8473	2.9597	3.8671	2.9584	1.0124		2.1493	3.2046	3.1837	4.2129	2.1506	2.5667
C7	1.4950	2.1561	2.1028	2.1561	1.3866	2.1493		1.3311	2.1841	3.2028	2.2479	3.2720
N8	2.5202	3.2360	2.6125	3.2366	2.2323	3.2046	1.3311		1.4025	2.1662	2.2784	3.3356
C9	3.6454	4.2422	3.9547	4.2425	2.2031	3.1837	2.1841	1.4025		1.0755	1.3727	2.2399
H10	4.6140	5.2294	4.7755	5.2298	3.2570	4.2129	3.2028	2.1662	1.0755		2.2070	2.7598
C11	3.6870	4.1158	4.3362	4.1155	1.3964	2.1506	2.2479	2.2784	1.3727	2.2070		1.0751
H12	4.6525	4.9927	5.3737	4.9922	2.1726	2.5667	3.2720	3.3356	2.2399	2.7598	1.0751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.479	C1	C7	N8	126.092
H2	C1	H3	108.701	H2	C1	H4	108.293
H2	C1	C7	111.649	H3	C1	H4	108.701
H3	C1	C7	107.771	H4	C1	C7	111.649
N5	C7	N8	110.430	N5	C11	C9	105.422
N5	C11	H12	122.522	H6	N5	C7	126.546
H6	N5	C11	125.706	C7	N5	C11	107.748
C7	N8	C9	106.035	N8	C9	H10	121.334
N8	C9	C11	110.365	C9	C11	H12	132.056
H10	C9	C11	128.301

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

using model chemistry: B3LYP/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	-0.620
2	H	0.206
3	H	0.239
4	H	0.206
5	N	-0.724
6	H	0.321
7	C	0.541
8	N	-0.527
9	C	-0.071
10	H	0.189
11	C	0.038
12	H	0.203

	x	y	z	Total
	0.484	3.667	-0.000	3.699
CHELPG
AIM
ESP

	x	y	z
x	9.289	0.181	0.001
y	0.181	7.341	-0.001
z	0.001	-0.001	3.314

<r²>	140.806
(<r²>)^1/2	11.866

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

using model chemistry: B3LYP/3-21G*

States and conformations

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