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	hartrees
Energy at 0K	-265.484641
Energy at 298.15K	-265.492438
Nuclear repulsion energy	225.511836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3537	49.98
2	A	3320	3159	2.68
3	A	3287	3127	6.49
4	A	3198	3043	2.74
5	A	3132	2980	17.11
6	A	3069	2920	29.63
7	A	1633	1554	39.79
8	A	1554	1479	5.40
9	A	1522	1449	5.92
10	A	1499	1426	8.50
11	A	1469	1398	39.13
12	A	1440	1370	0.30
13	A	1413	1345	1.15
14	A	1298	1235	15.19
15	A	1216	1157	2.94
16	A	1153	1097	3.87
17	A	1122	1068	28.78
18	A	1065	1014	2.21
19	A	1018	968	8.04
20	A	978	930	1.07
21	A	933	888	2.99
22	A	869	827	8.97
23	A	736	701	39.29
24	A	697	663	3.92
25	A	689	655	1.22
26	A	650	618	15.45
27	A	532	507	78.04
28	A	349	332	5.42
29	A	255	243	6.05
30	A	83	79	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	2.104	-0.022	0.000
H2	2.499	0.487	0.885
H3	2.476	-1.046	-0.000
H4	2.499	0.488	-0.884
N5	-0.168	1.048	0.000
H6	0.155	2.000	-0.001
C7	0.617	-0.068	-0.000
N8	-0.118	-1.157	-0.000
C9	-1.421	-0.727	-0.000
H10	-2.244	-1.425	0.000
C11	-1.480	0.638	0.000
H12	-2.302	1.336	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0944	1.0890	1.0945	2.5116	2.8094	1.4882	2.4956	3.5948	4.5693	3.6448	4.6106
H2	1.0944		1.7704	1.7689	2.8647	2.9273	2.1523	3.2149	4.1975	5.1900	4.0787	4.9544
H3	1.0890	1.7704		1.7704	3.3727	3.8301	2.1008	2.5967	3.9099	4.7356	4.2998	5.3386
H4	1.0945	1.7689	1.7704		2.8647	2.9261	2.1523	3.2152	4.1977	5.1903	4.0787	4.9543
N5	2.5116	2.8647	3.3727	2.8647		1.0055	1.3643	2.2061	2.1729	3.2297	1.3748	2.1532
H6	2.8094	2.9273	3.8301	2.9261	1.0055		2.1195	3.1697	3.1499	4.1824	2.1278	2.5447
C7	1.4882	2.1523	2.1008	2.1523	1.3643	2.1195		1.3142	2.1415	3.1668	2.2127	3.2386
N8	2.4956	3.2149	2.5967	3.2152	2.2061	3.1697	1.3142		1.3718	2.1429	2.2538	3.3142
C9	3.5948	4.1975	3.9099	4.1977	2.1729	3.1499	2.1415	1.3718		1.0798	1.3668	2.2432
H10	4.5693	5.1900	4.7356	5.1903	3.2297	4.1824	3.1668	2.1429	1.0798		2.2009	2.7620
C11	3.6448	4.0787	4.2998	4.0787	1.3748	2.1278	2.2127	2.2538	1.3668	2.2009		1.0777
H12	4.6106	4.9544	5.3386	4.9543	2.1532	2.5447	3.2386	3.3142	2.2432	2.7620	1.0777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.347	C1	C7	N8	125.766
H2	C1	H3	108.354	H2	C1	H4	107.825
H2	C1	C7	111.992	H3	C1	H4	108.352
H3	C1	C7	108.207	H4	C1	C7	111.994
N5	C7	N8	110.886	N5	C11	C9	104.850
N5	C11	H12	122.336	H6	N5	C7	126.190
H6	N5	C11	126.041	C7	N5	C11	107.769
C7	N8	C9	105.728	N8	C9	H10	121.417
N8	C9	C11	110.768	C9	C11	H12	132.814
H10	C9	C11	127.816

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

using model chemistry: mPW1PW91/6-31G**

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	-0.460
2	H	0.148
3	H	0.180
4	H	0.148
5	N	-0.558
6	H	0.287
7	C	0.460
8	N	-0.490
9	C	-0.015
10	H	0.124
11	C	0.035
12	H	0.142

	x	y	z	Total
	0.521	3.592	-0.002	3.630
CHELPG
AIM
ESP

<r²>	137.966
(<r²>)^1/2	11.746

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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