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	hartrees
Energy at 0K	-265.458793
Energy at 298.15K	-265.466395
HF Energy	-265.458793
Nuclear repulsion energy	224.341038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3591	3544	27.37
2	A	3214	3172	5.21
3	A	3184	3143	5.79
4	A	3087	3047	5.22
5	A	3015	2976	20.98
6	A	2969	2930	40.72
7	A	1549	1529	33.48
8	A	1481	1462	2.03
9	A	1460	1441	5.66
10	A	1456	1437	6.64
11	A	1396	1378	35.43
12	A	1384	1366	1.97
13	A	1346	1328	1.21
14	A	1245	1229	15.55
15	A	1153	1138	5.08
16	A	1111	1096	2.12
17	A	1073	1059	21.84
18	A	1037	1024	0.52
19	A	984	972	9.56
20	A	943	931	2.70
21	A	916	904	2.79
22	A	831	820	9.84
23	A	701	692	48.15
24	A	672	663	0.65
25	A	670	661	9.20
26	A	626	618	10.35
27	A	502	495	61.81
28	A	341	337	4.99
29	A	240	237	6.00
30	A	53	52	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	2.116	-0.025	-0.000
H2	2.507	0.489	0.886
H3	2.496	-1.047	-0.001
H4	2.507	0.491	-0.885
N5	-0.165	1.052	0.000
H6	0.157	2.008	0.000
C7	0.626	-0.072	-0.000
N8	-0.123	-1.161	-0.000
C9	-1.435	-0.729	0.000
H10	-2.260	-1.428	0.000
C11	-1.488	0.643	-0.000
H12	-2.305	1.349	-0.001

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0967	1.0907	1.0967	2.5221	2.8230	1.4907	2.5104	3.6196	4.5944	3.6648	4.6290
H2	1.0967		1.7742	1.7714	2.8705	2.9349	2.1537	3.2287	4.2196	5.2131	4.0946	4.9676
H3	1.0907	1.7742		1.7742	3.3895	3.8478	2.1098	2.6217	3.9441	4.7710	4.3278	5.3657
H4	1.0967	1.7714	1.7742		2.8700	2.9338	2.1537	3.2294	4.2200	5.2137	4.0941	4.9669
N5	2.5221	2.8705	3.3895	2.8700		1.0085	1.3737	2.2135	2.1868	3.2456	1.3843	2.1604
H6	2.8230	2.9349	3.8478	2.9338	1.0085		2.1314	3.1813	3.1654	4.1999	2.1367	2.5483
C7	1.4907	2.1537	2.1098	2.1537	1.3737	2.1314		1.3222	2.1628	3.1880	2.2310	3.2565
N8	2.5104	3.2287	2.6217	3.2294	2.2135	3.1813	1.3222		1.3815	2.1531	2.2625	3.3257
C9	3.6196	4.2196	3.9441	4.2200	2.1868	3.1654	2.1628	1.3815		1.0810	1.3728	2.2518
H10	4.5944	5.2131	4.7710	5.2137	3.2456	4.1999	3.1880	2.1531	1.0810		2.2100	2.7764
C11	3.6648	4.0946	4.3278	4.0941	1.3843	2.1367	2.2310	2.2625	1.3728	2.2100		1.0794
H12	4.6290	4.9676	5.3657	4.9669	2.1604	2.5483	3.2565	3.3257	2.2518	2.7764	1.0794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.643	C1	C7	N8	126.380
H2	C1	H3	108.391	H2	C1	H4	107.803
H2	C1	C7	111.799	H3	C1	H4	108.393
H3	C1	C7	108.547	H4	C1	C7	111.801
N5	C7	N8	109.977	N5	C11	C9	104.925
N5	C11	H12	122.241	H6	N5	C7	125.960
H6	N5	C11	125.751	C7	N5	C11	108.289
C7	N8	C9	106.544	N8	C9	H10	121.646
N8	C9	C11	110.265	C9	C11	H12	132.834
H10	C9	C11	128.089

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.224
2	H	0.129
3	H	0.133
4	H	0.129
5	N	-0.743
6	H	0.151
7	C	0.657
8	N	-0.906
9	C	0.240
10	H	0.127
11	C	0.167
12	H	0.139

	x	y	z	Total
	0.613	3.491	0.000	3.545
CHELPG
AIM
ESP

	x	y	z
x	12.041	-0.074	0.000
y	-0.074	9.858	-0.000
z	0.000	-0.000	6.611

<r²>	139.980
(<r²>)^1/2	11.831

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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