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	hartrees
Energy at 0K	-263.985640
Energy at 298.15K	-263.993637
HF Energy	-263.985640
Nuclear repulsion energy	223.776300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3666	3474	64.30
2	A	3344	3169	1.36
3	A	3318	3144	2.36
4	A	3201	3034	1.46
5	A	3145	2981	13.46
6	A	3088	2926	17.50
7	A	1602	1519	51.40
8	A	1560	1479	12.58
9	A	1559	1478	1.06
10	A	1522	1442	5.81
11	A	1471	1394	8.13
12	A	1430	1356	20.35
13	A	1389	1316	5.26
14	A	1304	1236	24.54
15	A	1176	1114	7.52
16	A	1132	1072	11.94
17	A	1117	1059	16.06
18	A	1114	1056	8.68
19	A	1025	972	9.70
20	A	993	941	3.66
21	A	958	908	2.96
22	A	945	895	4.80
23	A	798	756	44.06
24	A	718	680	20.29
25	A	685	650	1.13
26	A	682	646	133.90
27	A	666	631	3.58
28	A	339	321	5.87
29	A	262	249	7.48
30	A	110	104	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	2.126	-0.028	0.000
H2	2.514	0.481	0.890
H3	2.489	-1.057	-0.001
H4	2.514	0.482	-0.889
N5	-0.162	1.053	-0.000
H6	0.162	2.008	-0.001
C7	0.635	-0.070	-0.000
N8	-0.126	-1.160	-0.000
C9	-1.449	-0.727	-0.000
H10	-2.273	-1.417	-0.000
C11	-1.492	0.644	0.000
H12	-2.311	1.339	0.001

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0961	1.0908	1.0961	2.5302	2.8292	1.4918	2.5200	3.6428	4.6133	3.6793	4.6423
H2	1.0961		1.7769	1.7790	2.8771	2.9424	2.1510	3.2327	4.2373	5.2259	4.1061	4.9801
H3	1.0908	1.7769		1.7769	3.3879	3.8484	2.1006	2.6169	3.9523	4.7763	4.3289	5.3643
H4	1.0961	1.7790	1.7769		2.8765	2.9410	2.1510	3.2332	4.2377	5.2264	4.1060	4.9800
N5	2.5302	2.8771	3.3879	2.8765		1.0088	1.3769	2.2133	2.1966	3.2497	1.3912	2.1678
H6	2.8292	2.9424	3.8484	2.9410	1.0088		2.1318	3.1815	3.1744	4.2030	2.1436	2.5618
C7	1.4918	2.1510	2.1006	2.1510	1.3769	2.1318		1.3287	2.1848	3.2048	2.2430	3.2649
N8	2.5200	3.2327	2.6169	3.2332	2.2133	3.1815	1.3287		1.3928	2.1631	2.2629	3.3192
C9	3.6428	4.2373	3.9523	4.2377	2.1966	3.1744	2.1848	1.3928		1.0751	1.3715	2.2377
H10	4.6133	5.2259	4.7763	5.2264	3.2497	4.2030	3.2048	2.1631	1.0751		2.2046	2.7559
C11	3.6793	4.1061	4.3289	4.1060	1.3912	2.1436	2.2430	2.2629	1.3715	2.2046		1.0739
H12	4.6423	4.9801	5.3643	4.9800	2.1678	2.5618	3.2649	3.3192	2.2377	2.7559	1.0739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.714	C1	C7	N8	126.522
H2	C1	H3	108.691	H2	C1	H4	108.497
H2	C1	C7	111.522	H3	C1	H4	108.692
H3	C1	C7	107.839	H4	C1	C7	111.525
N5	C7	N8	109.763	N5	C11	C9	105.325
N5	C11	H12	122.624	H6	N5	C7	125.948
H6	N5	C11	125.806	C7	N5	C11	108.246
C7	N8	C9	106.775	N8	C9	H10	121.920
N8	C9	C11	109.891	C9	C11	H12	132.051
H10	C9	C11	128.189

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

using model chemistry: wB97X-D/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	-0.678
2	H	0.227
3	H	0.263
4	H	0.227
5	N	-0.763
6	H	0.347
7	C	0.549
8	N	-0.540
9	C	-0.103
10	H	0.223
11	C	0.009
12	H	0.239

	x	y	z	Total
	0.510	3.791	0.000	3.825
CHELPG
AIM
ESP

	x	y	z
x	8.981	0.184	0.000
y	0.184	7.203	0.000
z	0.000	0.000	3.309

<r²>	139.806
(<r²>)^1/2	11.824

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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