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	hartrees
Energy at 0K	-265.209161
Energy at 298.15K	-265.216749
Nuclear repulsion energy	223.500095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3550	3491	23.42
2	A	3219	3166	4.99
3	A	3188	3136	7.52
4	A	3100	3049	3.43
5	A	3029	2979	18.88
6	A	2976	2927	35.36
7	A	1559	1533	33.50
8	A	1495	1470	2.56
9	A	1471	1447	2.12
10	A	1466	1442	8.27
11	A	1411	1387	38.28
12	A	1392	1369	0.35
13	A	1368	1346	1.01
14	A	1253	1232	14.43
15	A	1173	1153	2.32
16	A	1112	1094	6.31
17	A	1085	1067	20.25
18	A	1035	1018	2.10
19	A	981	965	9.37
20	A	942	927	0.62
21	A	896	882	3.45
22	A	806	792	13.08
23	A	688	677	26.91
24	A	667	656	1.38
25	A	662	652	8.61
26	A	624	614	19.63
27	A	492	484	66.63
28	A	338	332	4.91
29	A	242	238	5.51
30	A	88	86	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	2.119	-0.021	0.000
H2	2.522	0.491	0.893
H3	2.496	-1.054	-0.001
H4	2.522	0.493	-0.892
N5	-0.170	1.057	0.000
H6	0.152	2.023	-0.001
C7	0.625	-0.069	-0.000
N8	-0.121	-1.171	-0.000
C9	-1.432	-0.733	0.000
H10	-2.262	-1.440	0.000
C11	-1.492	0.646	0.000
H12	-2.317	1.355	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1056	1.0998	1.1056	2.5301	2.8364	1.4953	2.5175	3.6216	4.6049	3.6722	4.6445
H2	1.1056		1.7859	1.7844	2.8919	2.9595	2.1708	3.2473	4.2345	5.2358	4.1152	4.9957
H3	1.0998	1.7859		1.7859	3.4008	3.8680	2.1149	2.6192	3.9410	4.7734	4.3354	5.3823
H4	1.1056	1.7844	1.7859		2.8913	2.9577	2.1709	3.2480	4.2349	5.2364	4.1150	4.9954
N5	2.5301	2.8919	3.4008	2.8913		1.0179	1.3785	2.2289	2.1907	3.2578	1.3850	2.1676
H6	2.8364	2.9595	3.8680	2.9577	1.0179		2.1448	3.2055	3.1790	4.2214	2.1451	2.5579
C7	1.4953	2.1708	2.1149	2.1709	1.3785	2.1448		1.3300	2.1609	3.1952	2.2342	3.2682
N8	2.5175	3.2473	2.6192	3.2480	2.2289	3.2055	1.3300		1.3825	2.1580	2.2762	3.3475
C9	3.6216	4.2345	3.9410	4.2349	2.1907	3.1790	2.1609	1.3825		1.0901	1.3801	2.2683
H10	4.6049	5.2358	4.7734	5.2364	3.2578	4.2214	3.1952	2.1580	1.0901		2.2231	2.7959
C11	3.6722	4.1152	4.3354	4.1150	1.3850	2.1451	2.2342	2.2762	1.3801	2.2231		1.0880
H12	4.6445	4.9957	5.3823	4.9954	2.1676	2.5579	3.2682	3.3475	2.2683	2.7959	1.0880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.335	C1	C7	N8	125.920
H2	C1	H3	108.148	H2	C1	H4	107.605
H2	C1	C7	112.294	H3	C1	H4	108.149
H3	C1	C7	108.198	H4	C1	C7	112.296
N5	C7	N8	110.745	N5	C11	C9	104.791
N5	C11	H12	121.989	H6	N5	C7	126.364
H6	N5	C11	125.747	C7	N5	C11	107.889
C7	N8	C9	105.610	N8	C9	H10	121.117
N8	C9	C11	110.965	C9	C11	H12	133.220
H10	C9	C11	127.918

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.579
2	H	0.174
3	H	0.205
4	H	0.174
5	N	-0.570
6	H	0.326
7	C	0.468
8	N	-0.443
9	C	-0.054
10	H	0.138
11	C	0.009
12	H	0.153

	x	y	z	Total
	0.514	3.510	-0.001	3.547
CHELPG
AIM
ESP

	x	y	z
x	10.306	0.119	0.000
y	0.119	8.168	-0.000
z	0.000	-0.000	4.107

<r²>	140.126
(<r²>)^1/2	11.837

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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