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	hartrees
Energy at 0K	-264.187481
Energy at 298.15K	-264.195188
Nuclear repulsion energy	226.372804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3556	3517	43.61
2	A	3199	3164	0.31
3	A	3167	3132	3.40
4	A	3085	3051	0.36
5	A	3023	2990	7.30
6	A	2965	2932	22.11
7	A	1580	1563	43.81
8	A	1499	1483	1.64
9	A	1457	1441	10.98
10	A	1404	1389	9.56
11	A	1392	1377	0.74
12	A	1385	1370	31.22
13	A	1338	1323	1.03
14	A	1262	1248	14.34
15	A	1185	1172	2.79
16	A	1110	1098	7.87
17	A	1076	1064	28.43
18	A	1012	1001	2.32
19	A	981	970	8.24
20	A	930	920	0.63
21	A	911	902	3.56
22	A	840	831	7.87
23	A	705	698	37.74
24	A	684	677	1.03
25	A	684	677	13.77
26	A	641	634	10.20
27	A	553	547	65.86
28	A	337	333	5.53
29	A	247	245	5.71
30	A	73	73	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	2.089	-0.025	-0.000
H2	2.492	0.483	0.889
H3	2.458	-1.057	-0.001
H4	2.492	0.485	-0.888
N5	-0.165	1.042	0.000
H6	0.159	2.004	-0.000
C7	0.620	-0.067	-0.000
N8	-0.122	-1.149	0.000
C9	-1.415	-0.726	0.000
H10	-2.246	-1.426	0.000
C11	-1.470	0.638	-0.000
H12	-2.296	1.341	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1010	1.0960	1.1010	2.4937	2.8001	1.4695	2.4800	3.5734	4.5562	3.6199	4.5933
H2	1.1010		1.7797	1.7776	2.8570	2.9232	2.1444	3.2076	4.1856	5.1857	4.0633	4.9453
H3	1.0960	1.7797		1.7797	3.3593	3.8280	2.0879	2.5812	3.8874	4.7190	4.2780	5.3251
H4	1.1010	1.7776	1.7797		2.8565	2.9217	2.1444	3.2082	4.1860	5.1863	4.0630	4.9448
N5	2.4937	2.8570	3.3593	2.8565		1.0154	1.3582	2.1914	2.1646	3.2283	1.3655	2.1523
H6	2.8001	2.9232	3.8280	2.9217	1.0154		2.1212	3.1657	3.1509	4.1895	2.1255	2.5434
C7	1.4695	2.1444	2.0879	2.1444	1.3582	2.1212		1.3123	2.1391	3.1725	2.2054	3.2385
N8	2.4800	3.2076	2.5812	3.2082	2.1914	3.1657	1.3123		1.3613	2.1429	2.2391	3.3066
C9	3.5734	4.1856	3.8874	4.1860	2.1646	3.1509	2.1391	1.3613		1.0872	1.3649	2.2468
H10	4.5562	5.1857	4.7190	5.1863	3.2283	4.1895	3.1725	2.1429	1.0872		2.2058	2.7678
C11	3.6199	4.0633	4.2780	4.0630	1.3655	2.1255	2.2054	2.2391	1.3649	2.2058		1.0852
H12	4.5933	4.9453	5.3251	4.9448	2.1523	2.5434	3.2385	3.3066	2.2468	2.7678	1.0852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.691	C1	C7	N8	126.030
H2	C1	H3	108.208	H2	C1	H4	107.661
H2	C1	C7	112.279	H3	C1	H4	108.210
H3	C1	C7	108.058	H4	C1	C7	112.281
N5	C7	N8	110.280	N5	C11	C9	104.889
N5	C11	H12	122.452	H6	N5	C7	126.061
H6	N5	C11	125.803	C7	N5	C11	108.136
C7	N8	C9	106.265	N8	C9	H10	121.735
N8	C9	C11	110.431	C9	C11	H12	132.659
H10	C9	C11	127.835

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

using model chemistry: LSDA/cc-pVTZ

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	-0.344
2	H	0.120
3	H	0.134
4	H	0.120
5	N	-0.056
6	H	0.156
7	C	0.075
8	N	-0.172
9	C	-0.130
10	H	0.119
11	C	-0.149
12	H	0.126

	x	y	z	Total
	0.600	3.546	-0.001	3.596
CHELPG
AIM
ESP

	x	y	z
x	11.362	0.021	0.000
y	0.021	9.032	-0.000
z	0.000	-0.000	5.583

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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