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	hartrees
Energy at 0K	-265.529250
Energy at 298.15K	-265.537067
Nuclear repulsion energy	225.768636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3705	3536	36.76
2	A	3298	3148	5.82
3	A	3267	3118	8.22
4	A	3177	3032	5.24
5	A	3109	2967	23.30
6	A	3055	2916	36.35
7	A	1631	1556	43.99
8	A	1546	1475	3.59
9	A	1522	1452	3.11
10	A	1505	1436	9.82
11	A	1466	1399	43.67
12	A	1438	1373	0.88
13	A	1411	1347	0.64
14	A	1298	1239	14.66
15	A	1209	1154	3.78
16	A	1150	1097	5.27
17	A	1121	1070	29.12
18	A	1072	1023	1.57
19	A	1019	973	9.46
20	A	979	934	2.13
21	A	938	895	2.98
22	A	862	822	12.62
23	A	728	695	44.93
24	A	699	667	12.14
25	A	690	658	1.08
26	A	653	623	15.78
27	A	543	518	78.27
28	A	348	332	5.36
29	A	255	243	6.42
30	A	86	82	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-2.102	-0.023	0.000
H2	-2.497	0.487	-0.883
H3	-2.478	-1.044	-0.001
H4	-2.497	0.486	0.884
N5	0.167	1.047	0.000
H6	-0.152	1.999	-0.000
C7	-0.617	-0.069	0.000
N8	0.119	-1.154	-0.000
C9	1.420	-0.726	0.000
H10	2.241	-1.428	0.000
C11	1.479	0.637	-0.000
H12	2.299	1.335	0.001

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0937	1.0879	1.0937	2.5090	2.8094	1.4863	2.4923	3.5920	4.5643	3.6413	4.6064
H2	1.0937		1.7673	1.7668	2.8624	2.9269	2.1508	3.2119	4.1952	5.1859	4.0756	4.9506
H3	1.0879	1.7673		1.7673	3.3714	3.8301	2.1011	2.5984	3.9107	4.7336	4.2986	5.3367
H4	1.0937	1.7668	1.7673		2.8631	2.9281	2.1509	3.2117	4.1951	5.1857	4.0762	4.9509
N5	2.5090	2.8624	3.3714	2.8631		1.0044	1.3632	2.2014	2.1709	3.2281	1.3738	2.1514
H6	2.8094	2.9269	3.8301	2.9281	1.0044		2.1192	3.1647	3.1461	4.1791	2.1244	2.5393
C7	1.4863	2.1508	2.1011	2.1509	1.3632	2.1192		1.3111	2.1404	3.1639	2.2110	3.2363
N8	2.4923	3.2119	2.5984	3.2117	2.2014	3.1647	1.3111		1.3702	2.1395	2.2492	3.3096
C9	3.5920	4.1952	3.9107	4.1951	2.1709	3.1461	2.1404	1.3702		1.0793	1.3646	2.2412
H10	4.5643	5.1859	4.7336	5.1857	3.2281	4.1791	3.1639	2.1395	1.0793		2.2009	2.7637
C11	3.6413	4.0756	4.2986	4.0762	1.3738	2.1244	2.2110	2.2492	1.3646	2.2009		1.0775
H12	4.6064	4.9506	5.3367	4.9509	2.1514	2.5393	3.2363	3.3096	2.2412	2.7637	1.0775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.347	C1	C7	N8	125.864
H2	C1	H3	108.218	H2	C1	H4	107.750
H2	C1	C7	112.051	H3	C1	H4	108.209
H3	C1	C7	108.423	H4	C1	C7	112.057
N5	C7	N8	110.789	N5	C11	C9	104.887
N5	C11	H12	122.262	H6	N5	C7	126.370
H6	N5	C11	125.868	C7	N5	C11	107.762
C7	N8	C9	105.905	N8	C9	H10	121.263
N8	C9	C11	110.656	C9	C11	H12	132.851
H10	C9	C11	128.080

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

using model chemistry: mPW1PW91/6-311G*

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	-0.733
2	H	0.235
3	H	0.264
4	H	0.235
5	N	-0.572
6	H	0.358
7	C	0.406
8	N	-0.344
9	C	-0.194
10	H	0.200
11	C	-0.072
12	H	0.218

	x	y	z	Total
	-0.520	3.640	0.001	3.677
CHELPG
AIM
ESP

<r²>	138.064
(<r²>)^1/2	11.750

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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