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	hartrees
Energy at 0K	-264.104153
Energy at 298.15K	-264.111807
Nuclear repulsion energy	225.390520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3566	3513	44.79
2	A	3218	3170	0.44
3	A	3188	3140	3.47
4	A	3102	3056	0.41
5	A	3042	2996	7.97
6	A	2976	2932	25.84
7	A	1587	1563	45.23
8	A	1506	1484	3.34
9	A	1463	1442	11.66
10	A	1415	1393	12.90
11	A	1401	1380	3.14
12	A	1393	1372	36.26
13	A	1347	1327	1.02
14	A	1266	1247	15.60
15	A	1192	1174	3.18
16	A	1112	1095	13.18
17	A	1083	1067	26.67
18	A	1010	995	2.30
19	A	979	964	7.94
20	A	930	916	0.55
21	A	904	890	3.24
22	A	830	817	10.74
23	A	696	686	49.54
24	A	682	672	0.67
25	A	674	664	13.10
26	A	631	621	17.22
27	A	545	537	68.69
28	A	340	335	5.88
29	A	244	240	6.46
30	A	72	71	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.097	-0.024	0.000
H2	2.503	0.483	0.894
H3	2.466	-1.061	-0.001
H4	2.503	0.485	-0.892
N5	-0.166	1.047	-0.000
H6	0.161	2.012	-0.001
C7	0.623	-0.067	-0.000
N8	-0.122	-1.156	-0.000
C9	-1.420	-0.729	0.000
H10	-2.253	-1.434	0.000
C11	-1.476	0.642	0.000
H12	-2.305	1.348	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1048	1.1001	1.1048	2.5033	2.8097	1.4748	2.4909	3.5870	4.5722	3.6343	4.6110
H2	1.1048		1.7844	1.7859	2.8705	2.9367	2.1535	3.2212	4.2025	5.2048	4.0812	4.9667
H3	1.1001	1.7844		1.7844	3.3715	3.8411	2.0938	2.5897	3.9000	4.7330	4.2937	5.3445
H4	1.1048	1.7859	1.7844		2.8699	2.9349	2.1535	3.2220	4.2029	5.2055	4.0810	4.9663
N5	2.5033	2.8705	3.3715	2.8699		1.0192	1.3648	2.2032	2.1747	3.2422	1.3712	2.1606
H6	2.8097	2.9367	3.8411	2.9349	1.0192		2.1300	3.1807	3.1651	4.2078	2.1347	2.5545
C7	1.4748	2.1535	2.0938	2.1535	1.3648	2.1300		1.3191	2.1475	3.1837	2.2151	3.2519
N8	2.4909	3.2212	2.5897	3.2220	2.2032	3.1807	1.3191		1.3662	2.1484	2.2506	3.3217
C9	3.5870	4.2025	3.9000	4.2029	2.1747	3.1651	2.1475	1.3662		1.0907	1.3728	2.2579
H10	4.5722	5.2048	4.7330	5.2055	3.2422	4.2078	3.1837	2.1484	1.0907		2.2171	2.7827
C11	3.6343	4.0812	4.2937	4.0810	1.3712	2.1347	2.2151	2.2506	1.3728	2.2171		1.0890
H12	4.6110	4.9667	5.3445	4.9663	2.1606	2.5545	3.2519	3.3217	2.2579	2.7827	1.0890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.622	C1	C7	N8	126.044
H2	C1	H3	108.051	H2	C1	H4	107.844
H2	C1	C7	112.398	H3	C1	H4	108.053
H3	C1	C7	107.928	H4	C1	C7	112.401
N5	C7	N8	110.334	N5	C11	C9	104.844
N5	C11	H12	122.448	H6	N5	C7	126.004
H6	N5	C11	125.878	C7	N5	C11	108.118
C7	N8	C9	106.196	N8	C9	H10	121.550
N8	C9	C11	110.508	C9	C11	H12	132.708
H10	C9	C11	127.941

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

using model chemistry: LSDA/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	-0.886
2	H	0.200
3	H	0.226
4	H	0.200
5	N	-0.366
6	H	0.318
7	C	0.449
8	N	-0.272
9	C	-0.096
10	H	0.155
11	C	-0.099
12	H	0.171

	x	y	z	Total
	0.611	3.723	-0.001	3.773
CHELPG
AIM
ESP

	x	y	z
x	11.361	-0.056	0.000
y	-0.056	9.530	-0.000
z	0.000	-0.000	6.158

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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