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	hartrees
Energy at 0K	-263.950399
Energy at 298.15K	-263.958377
Nuclear repulsion energy	223.846622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3621	3464	51.98
2	A	3338	3194	2.32
3	A	3312	3169	2.62
4	A	3187	3049	1.73
5	A	3122	2986	14.84
6	A	3067	2934	20.73
7	A	1584	1515	48.36
8	A	1552	1484	11.16
9	A	1548	1481	0.89
10	A	1507	1441	5.74
11	A	1456	1393	5.61
12	A	1413	1352	16.37
13	A	1373	1313	5.63
14	A	1289	1233	25.38
15	A	1168	1118	6.82
16	A	1120	1071	11.71
17	A	1107	1059	13.12
18	A	1099	1052	7.28
19	A	1014	970	9.63
20	A	979	937	3.10
21	A	942	901	3.22
22	A	921	881	6.17
23	A	781	747	45.28
24	A	705	675	9.49
25	A	680	650	1.27
26	A	667	638	136.79
27	A	657	628	0.07
28	A	331	317	5.55
29	A	260	248	7.11
30	A	126	120	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	2.118	-0.023	-0.000
H2	2.507	0.485	0.889
H3	2.480	-1.051	-0.001
H4	2.507	0.487	-0.888
N5	-0.166	1.057	0.000
H6	0.151	2.016	0.000
C7	0.631	-0.069	-0.000
N8	-0.116	-1.166	-0.000
C9	-1.442	-0.728	0.000
H10	-2.260	-1.424	0.000
C11	-1.491	0.640	-0.000
H12	-2.314	1.331	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0951	1.0897	1.0951	2.5267	2.8338	1.4879	2.5097	3.6293	4.5970	3.6704	4.6346
H2	1.0951		1.7756	1.7772	2.8737	2.9468	2.1482	3.2240	4.2250	5.2109	4.0986	4.9743
H3	1.0897	1.7756		1.7756	3.3829	3.8514	2.0932	2.5984	3.9350	4.7545	4.3167	5.3532
H4	1.0951	1.7772	1.7756		2.8733	2.9459	2.1482	3.2245	4.2253	5.2114	4.0983	4.9738
N5	2.5267	2.8737	3.3829	2.8733		1.0101	1.3799	2.2238	2.1942	3.2468	1.3896	2.1656
H6	2.8338	2.9468	3.8514	2.9459	1.0101		2.1403	3.1936	3.1729	4.2010	2.1425	2.5584
C7	1.4879	2.1482	2.0932	2.1482	1.3799	2.1403		1.3270	2.1751	3.1927	2.2382	3.2612
N8	2.5097	3.2240	2.5984	3.2245	2.2238	3.1936	1.3270		1.3965	2.1595	2.2707	3.3268
C9	3.6293	4.2250	3.9350	4.2253	2.1942	3.1729	2.1751	1.3965		1.0742	1.3693	2.2360
H10	4.5970	5.2109	4.7545	5.2114	3.2468	4.2010	3.1927	2.1595	1.0742		2.2029	2.7556
C11	3.6704	4.0986	4.3167	4.0983	1.3896	2.1425	2.2382	2.2707	1.3693	2.2029		1.0739
H12	4.6346	4.9743	5.3532	4.9738	2.1656	2.5584	3.2612	3.3268	2.2360	2.7556	1.0739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.493	C1	C7	N8	126.046
H2	C1	H3	108.714	H2	C1	H4	108.473
H2	C1	C7	111.633	H3	C1	H4	108.716
H3	C1	C7	107.590	H4	C1	C7	111.635
N5	C7	N8	110.460	N5	C11	C9	105.367
N5	C11	H12	122.542	H6	N5	C7	126.454
H6	N5	C11	125.714	C7	N5	C11	107.832
C7	N8	C9	105.973	N8	C9	H10	121.314
N8	C9	C11	110.368	C9	C11	H12	132.091
H10	C9	C11	128.318

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

using model chemistry: B1B95/3-21G

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	-0.662
2	H	0.224
3	H	0.258
4	H	0.224
5	N	-0.752
6	H	0.339
7	C	0.530
8	N	-0.529
9	C	-0.096
10	H	0.213
11	C	0.023
12	H	0.227

	x	y	z	Total
	0.501	3.713	-0.000	3.747
CHELPG
AIM
ESP

	x	y	z
x	9.208	0.175	0.000
y	0.175	7.286	-0.000
z	0.000	-0.000	3.323

<r²>	139.723
(<r²>)^1/2	11.820

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

using model chemistry: B1B95/3-21G

States and conformations

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