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	hartrees
Energy at 0K	-264.154553
Energy at 298.15K	-264.162291
Nuclear repulsion energy	226.022572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3553	3509	45.53
2	A	3200	3160	0.46
3	A	3167	3128	3.77
4	A	3086	3048	0.65
5	A	3023	2986	9.21
6	A	2964	2927	23.66
7	A	1584	1564	46.56
8	A	1499	1481	1.80
9	A	1458	1440	9.61
10	A	1408	1390	11.94
11	A	1394	1377	2.50
12	A	1386	1369	33.52
13	A	1338	1322	1.51
14	A	1263	1247	16.44
15	A	1186	1171	3.35
16	A	1109	1095	9.35
17	A	1080	1067	29.04
18	A	1012	1000	2.90
19	A	981	969	9.32
20	A	930	919	0.51
21	A	912	900	3.55
22	A	832	822	10.03
23	A	703	694	34.42
24	A	685	676	1.17
25	A	682	673	17.83
26	A	640	632	16.16
27	A	568	561	68.80
28	A	337	333	5.64
29	A	246	243	5.84
30	A	92	91	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	2.091	-0.024	0.000
H2	2.496	0.484	0.892
H3	2.457	-1.059	-0.001
H4	2.496	0.486	-0.891
N5	-0.166	1.045	-0.000
H6	0.155	2.010	-0.001
C7	0.620	-0.067	-0.000
N8	-0.120	-1.152	-0.000
C9	-1.415	-0.728	0.000
H10	-2.245	-1.432	0.000
C11	-1.473	0.639	0.000
H12	-2.301	1.342	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1030	1.0979	1.1030	2.4976	2.8076	1.4719	2.4824	3.5762	4.5592	3.6248	4.5997
H2	1.1030		1.7827	1.7824	2.8632	2.9332	2.1491	3.2117	4.1903	5.1907	4.0705	4.9541
H3	1.0979	1.7827		1.7827	3.3626	3.8359	2.0878	2.5788	3.8863	4.7168	4.2806	5.3295
H4	1.1030	1.7824	1.7827		2.8626	2.9316	2.1491	3.2123	4.1907	5.1913	4.0703	4.9538
N5	2.4976	2.8632	3.3626	2.8626		1.0174	1.3617	2.1972	2.1680	3.2336	1.3679	2.1553
H6	2.8076	2.9332	3.8359	2.9316	1.0174		2.1282	3.1739	3.1560	4.1965	2.1286	2.5458
C7	1.4719	2.1491	2.0878	2.1491	1.3617	2.1282		1.3133	2.1395	3.1735	2.2083	3.2430
N8	2.4824	3.2117	2.5788	3.2123	2.1972	3.1739	1.3133		1.3628	2.1433	2.2441	3.3130
C9	3.5762	4.1903	3.8863	4.1907	2.1680	3.1560	2.1395	1.3628		1.0887	1.3674	2.2511
H10	4.5592	5.1907	4.7168	5.1913	3.2336	4.1965	3.1735	2.1433	1.0887		2.2103	2.7746
C11	3.6248	4.0705	4.2806	4.0703	1.3679	2.1286	2.2083	2.2441	1.3674	2.2103		1.0867
H12	4.5997	4.9541	5.3295	4.9538	2.1553	2.5458	3.2430	3.3130	2.2511	2.7746	1.0867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.582	C1	C7	N8	125.980
H2	C1	H3	108.194	H2	C1	H4	107.795
H2	C1	C7	112.361	H3	C1	H4	108.196
H3	C1	C7	107.781	H4	C1	C7	112.364
N5	C7	N8	110.439	N5	C11	C9	104.859
N5	C11	H12	122.409	H6	N5	C7	126.291
H6	N5	C11	125.710	C7	N5	C11	107.998
C7	N8	C9	106.146	N8	C9	H10	121.515
N8	C9	C11	110.558	C9	C11	H12	132.732
H10	C9	C11	127.927

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

using model chemistry: LSDA/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	-0.405
2	H	0.163
3	H	0.181
4	H	0.163
5	N	-0.383
6	H	0.244
7	C	0.212
8	N	-0.291
9	C	-0.132
10	H	0.126
11	C	-0.011
12	H	0.133

	x	y	z	Total
	0.556	3.600	-0.001	3.643
CHELPG
AIM
ESP

	x	y	z
x	10.804	0.060	0.000
y	0.060	8.535	-0.000
z	0.000	-0.000	4.920

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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