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	hartrees
Energy at 0K	-265.278781
Energy at 298.15K	-265.286419
Nuclear repulsion energy	223.889825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3560	3528	29.31
2	A	3201	3172	4.19
3	A	3171	3142	6.09
4	A	3084	3056	3.69
5	A	3014	2987	19.58
6	A	2963	2936	35.79
7	A	1547	1533	37.30
8	A	1476	1462	3.10
9	A	1448	1435	1.84
10	A	1434	1421	8.64
11	A	1392	1379	38.21
12	A	1368	1356	0.53
13	A	1346	1333	0.50
14	A	1240	1229	14.27
15	A	1161	1150	3.37
16	A	1102	1092	5.22
17	A	1075	1065	23.76
18	A	1020	1011	1.24
19	A	974	966	10.16
20	A	934	926	1.26
21	A	900	892	3.42
22	A	819	811	12.07
23	A	694	688	40.42
24	A	669	662	8.17
25	A	667	661	1.13
26	A	627	621	15.80
27	A	521	516	62.03
28	A	337	334	4.99
29	A	241	239	5.39
30	A	79	78	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	2.117	-0.022	0.000
H2	2.516	0.489	0.892
H3	2.490	-1.053	-0.002
H4	2.516	0.493	-0.889
N5	-0.170	1.056	0.000
H6	0.148	2.020	-0.000
C7	0.624	-0.068	-0.000
N8	-0.119	-1.166	-0.000
C9	-1.430	-0.734	0.000
H10	-2.257	-1.439	0.000
C11	-1.491	0.642	0.000
H12	-2.317	1.347	-0.001

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1027	1.0967	1.1027	2.5282	2.8366	1.4931	2.5114	3.6172	4.5978	3.6685	4.6403
H2	1.1027		1.7829	1.7815	2.8864	2.9575	2.1642	3.2368	4.2258	5.2243	4.1077	4.9889
H3	1.0967	1.7829		1.7829	3.3948	3.8640	2.1098	2.6111	3.9327	4.7628	4.3271	5.3729
H4	1.1027	1.7815	1.7829		2.8853	2.9550	2.1643	3.2384	4.2269	5.2259	4.1077	4.9880
N5	2.5282	2.8864	3.3948	2.8853		1.0153	1.3763	2.2230	2.1884	3.2528	1.3841	2.1665
H6	2.8366	2.9575	3.8640	2.9550	1.0153		2.1417	3.1977	3.1737	4.2132	2.1411	2.5553
C7	1.4931	2.1642	2.1098	2.1643	1.3763	2.1417		1.3262	2.1593	3.1912	2.2315	3.2640
N8	2.5114	3.2368	2.6111	3.2384	2.2230	3.1977	1.3262		1.3807	2.1559	2.2706	3.3392
C9	3.6172	4.2258	3.9327	4.2269	2.1884	3.1737	2.1593	1.3807		1.0874	1.3775	2.2618
H10	4.5978	5.2243	4.7628	5.2259	3.2528	4.2132	3.1912	2.1559	1.0874		2.2181	2.7867
C11	3.6685	4.1077	4.3271	4.1077	1.3841	2.1411	2.2315	2.2706	1.3775	2.2181		1.0856
H12	4.6403	4.9889	5.3729	4.9880	2.1665	2.5553	3.2640	3.3392	2.2618	2.7867	1.0856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.494	C1	C7	N8	125.837
H2	C1	H3	108.310	H2	C1	H4	107.764
H2	C1	C7	112.095	H3	C1	H4	108.314
H3	C1	C7	108.128	H4	C1	C7	112.105
N5	C7	N8	110.669	N5	C11	C9	104.831
N5	C11	H12	122.159	H6	N5	C7	126.482
H6	N5	C11	125.640	C7	N5	C11	107.878
C7	N8	C9	105.803	N8	C9	H10	121.281
N8	C9	C11	110.819	C9	C11	H12	133.010
H10	C9	C11	127.900

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

using model chemistry: PBEPBE/6-311G**

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	-0.322
2	H	0.134
3	H	0.152
4	H	0.134
5	N	-0.360
6	H	0.220
7	C	0.234
8	N	-0.308
9	C	-0.095
10	H	0.097
11	C	0.011
12	H	0.104

	x	y	z	Total
	0.535	3.513	-0.001	3.553
CHELPG
AIM
ESP

	x	y	z
x	10.922	0.056	-0.000
y	0.056	8.659	0.000
z	-0.000	0.000	4.923

<r²>	140.118
(<r²>)^1/2	11.837

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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