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	hartrees
Energy at 0K	-44.795662
Energy at 298.15K	-44.803680
Nuclear repulsion energy	118.056413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3924	3524	80.83
2	A	3474	3120	10.44
3	A	3444	3093	10.12
4	A	3345	3004	17.58
5	A	3286	2951	45.63
6	A	3230	2900	50.73
7	A	1766	1586	54.25
8	A	1672	1501	14.34
9	A	1630	1464	6.31
10	A	1612	1448	8.25
11	A	1575	1414	52.81
12	A	1546	1388	8.30
13	A	1495	1343	1.76
14	A	1369	1229	16.33
15	A	1260	1131	16.82
16	A	1225	1100	0.10
17	A	1173	1053	34.25
18	A	1158	1040	0.66
19	A	1088	977	11.40
20	A	1044	938	5.43
21	A	984	884	10.52
22	A	983	883	2.94
23	A	834	749	80.34
24	A	748	672	5.99
25	A	714	641	1.77
26	A	677	608	11.07
27	A	550	494	100.72
28	A	364	327	5.23
29	A	281	252	10.14
30	A	75	67	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	2.092	-0.046	0.000
H2	2.468	0.470	0.885
H3	2.470	-1.065	-0.000
H4	2.468	0.471	-0.885
N5	-0.191	1.032	-0.000
H6	0.137	1.975	-0.000
C7	0.580	-0.093	-0.000
N8	-0.149	-1.173	-0.000
C9	-1.462	-0.743	0.000
H10	-2.282	-1.440	0.000
C11	-1.516	0.626	0.000
H12	-2.335	1.321	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0916	1.0865	1.0916	2.5250	2.8122	1.5129	2.5084	3.6220	4.5908	3.6700	4.6333
H2	1.0916		1.7721	1.7702	2.8586	2.9127	2.1601	3.2145	4.2075	5.1957	4.0842	4.9575
H3	1.0865	1.7721		1.7721	3.3878	3.8320	2.1252	2.6209	3.9451	4.7665	4.3294	5.3645
H4	1.0916	1.7702	1.7721		2.8584	2.9123	2.1601	3.2147	4.2077	5.1959	4.0842	4.9575
N5	2.5250	2.8586	3.3878	2.8584		0.9987	1.3637	2.2055	2.1832	3.2374	1.3857	2.1631
H6	2.8122	2.9127	3.8320	2.9123	0.9987		2.1149	3.1614	3.1538	4.1849	2.1340	2.5569
C7	1.5129	2.1601	2.1252	2.1601	1.3637	2.1149		1.3032	2.1432	3.1631	2.2156	3.2397
N8	2.5084	3.2145	2.6209	3.2147	2.2055	3.1614	1.3032		1.3820	2.1498	2.2593	3.3168
C9	3.6220	4.2075	3.9451	4.2077	2.1832	3.1538	2.1432	1.3820		1.0759	1.3697	2.2412
H10	4.5908	5.1957	4.7665	5.1959	3.2374	4.1849	3.1631	2.1498	1.0759		2.2028	2.7615
C11	3.6700	4.0842	4.3294	4.0842	1.3857	2.1340	2.2156	2.2593	1.3697	2.2028		1.0745
H12	4.6333	4.9575	5.3645	4.9575	2.1631	2.5569	3.2397	3.3168	2.2412	2.7615	1.0745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.666	C1	C7	N8	125.771
H2	C1	H3	108.898	H2	C1	H4	108.350
H2	C1	C7	111.036	H3	C1	H4	108.900
H3	C1	C7	108.571	H4	C1	C7	111.038
N5	C7	N8	111.562	N5	C11	C9	104.805
N5	C11	H12	122.595	H6	N5	C7	126.384
H6	N5	C11	126.235	C7	N5	C11	107.380
C7	N8	C9	105.871	N8	C9	H10	121.511
N8	C9	C11	110.382	C9	C11	H12	132.600
H10	C9	C11	128.108

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

using model chemistry: HF/CEP-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	-0.214
2	H	0.110
3	H	0.157
4	H	0.110
5	N	-0.076
6	H	0.391
7	C	-0.587
8	N	0.114
9	C	-0.210
10	H	0.271
11	C	-0.342
12	H	0.276

	x	y	z	Total
	0.641	3.832	0.000	3.885
CHELPG
AIM
ESP

	x	y	z
x	8.991	0.092	0.000
y	0.092	7.967	0.000
z	0.000	0.000	4.612

<r²>	114.199
(<r²>)^1/2	10.686

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

using model chemistry: HF/CEP-31G*

States and conformations

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