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	hartrees
Energy at 0K	-45.248150
Energy at 298.15K	-45.255630
HF Energy	-44.674155
Nuclear repulsion energy	115.086380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3540	42.32
2	A	3245	3167	8.98
3	A	3220	3142	2.34
4	A	3111	3037	9.58
5	A	3058	2985	31.98
6	A	2972	2901	42.40
7	A	1543	1506	38.39
8	A	1531	1494	1.83
9	A	1501	1465	11.00
10	A	1463	1428	6.20
11	A	1452	1417	2.86
12	A	1388	1355	27.71
13	A	1354	1321	4.01
14	A	1283	1252	16.05
15	A	1148	1120	11.85
16	A	1108	1082	18.20
17	A	1083	1057	0.09
18	A	1070	1044	0.00
19	A	987	963	18.17
20	A	948	926	5.48
21	A	911	889	1.33
22	A	710	693	71.51
23	A	657	641	1.67
24	A	648	633	14.78
25	A	611	596	5.27
26	A	563	550	107.24
27	A	496	484	11.17
28	A	337	329	5.94
29	A	202	197	3.12
30	A	82	80	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-2.138	-0.042	0.000
H2	-2.532	0.470	-0.895
H3	-2.501	-1.079	-0.000
H4	-2.532	0.469	0.896
N5	0.202	1.061	-0.000
H6	-0.118	2.024	0.001
C7	-0.619	-0.085	-0.000
N8	0.151	-1.217	-0.000
C9	1.505	-0.763	0.000
H10	2.327	-1.472	0.000
C11	1.554	0.644	0.000
H12	2.381	1.349	-0.001

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1038	1.0989	1.1038	2.5869	2.8904	1.5204	2.5730	3.7143	4.6885	3.7558	4.7280
H2	1.1038		1.7893	1.7908	2.9365	3.0082	2.1839	3.2929	4.3153	5.3086	4.1869	5.0700
H3	1.0989	1.7893		1.7893	3.4476	3.9135	2.1293	2.6557	4.0190	4.8438	4.4064	5.4521
H4	1.1038	1.7908	1.7893		2.9367	3.0080	2.1839	3.2926	4.3150	5.3082	4.1867	5.0703
N5	2.5869	2.9365	3.4476	2.9367		1.0149	1.4089	2.2782	2.2422	3.3067	1.4155	2.1978
H6	2.8904	3.0082	3.9135	3.0080	1.0149		2.1677	3.2521	3.2255	4.2664	2.1681	2.5879
C7	1.5204	2.1839	2.1293	2.1839	1.4089	2.1677		1.3688	2.2297	3.2559	2.2917	3.3239
N8	2.5730	3.2929	2.6557	3.2926	2.2782	3.2521	1.3688		1.4283	2.1907	2.3305	3.3986
C9	3.7143	4.3153	4.0190	4.3150	2.2422	3.2255	2.2297	1.4283		1.0852	1.4080	2.2858
H10	4.6885	5.3086	4.8438	5.3082	3.3067	4.2664	3.2559	2.1907	1.0852		2.2530	2.8215
C11	3.7558	4.1869	4.4064	4.1867	1.4155	2.1681	2.2917	2.3305	1.4080	2.2530		1.0858
H12	4.7280	5.0700	5.4521	5.0703	2.1978	2.5879	3.3239	3.3986	2.2858	2.8215	1.0858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	124.001	C1	C7	N8	125.806
H2	C1	H3	108.650	H2	C1	H4	108.421
H2	C1	C7	111.677	H3	C1	H4	108.650
H3	C1	C7	107.681	H4	C1	C7	111.677
N5	C7	N8	110.193	N5	C11	C9	105.142
N5	C11	H12	122.417	H6	N5	C7	126.073
H6	N5	C11	125.460	C7	N5	C11	108.467
C7	N8	C9	105.696	N8	C9	H10	120.672
N8	C9	C11	110.502	C9	C11	H12	132.441
H10	C9	C11	128.826

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

using model chemistry: MP2/CEP-121G

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

using model chemistry: MP2/CEP-121G

States and conformations

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