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	hartrees
Energy at 0K	-265.577616
Energy at 298.15K	-265.585345
HF Energy	-265.577616
Nuclear repulsion energy	224.776057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3646	3519	34.59
2	A	3278	3163	5.73
3	A	3246	3133	6.82
4	A	3150	3040	5.32
5	A	3077	2969	22.24
6	A	3025	2919	37.01
7	A	1590	1534	33.30
8	A	1523	1470	2.65
9	A	1498	1446	3.32
10	A	1496	1444	5.45
11	A	1443	1392	36.55
12	A	1416	1367	0.83
13	A	1387	1339	1.51
14	A	1271	1227	13.32
15	A	1185	1144	3.52
16	A	1137	1097	1.50
17	A	1104	1065	23.24
18	A	1059	1022	0.82
19	A	1001	966	10.67
20	A	963	929	1.00
21	A	916	884	3.63
22	A	849	819	11.91
23	A	727	702	33.01
24	A	686	662	2.16
25	A	674	650	1.43
26	A	639	616	16.50
27	A	523	505	59.36
28	A	336	325	4.75
29	A	251	242	4.94
30	A	81	78	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.111	-0.022	0.000
H2	2.505	0.490	0.886
H3	2.486	-1.047	-0.001
H4	2.505	0.492	-0.885
N5	-0.168	1.051	0.000
H6	0.153	2.007	-0.000
C7	0.619	-0.070	-0.000
N8	-0.119	-1.163	-0.000
C9	-1.427	-0.728	0.000
H10	-2.248	-1.428	0.000
C11	-1.485	0.640	-0.000
H12	-2.302	1.343	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0965	1.0908	1.0965	2.5197	2.8200	1.4930	2.5050	3.6076	4.5807	3.6568	4.6195
H2	1.0965		1.7746	1.7706	2.8710	2.9352	2.1573	3.2251	4.2099	5.2015	4.0895	4.9611
H3	1.0908	1.7746		1.7746	3.3836	3.8429	2.1076	2.6080	3.9261	4.7503	4.3148	5.3515
H4	1.0965	1.7706	1.7746		2.8704	2.9337	2.1573	3.2258	4.2103	5.2021	4.0892	4.9606
N5	2.5197	2.8710	3.3836	2.8704		1.0074	1.3699	2.2150	2.1793	3.2366	1.3797	2.1534
H6	2.8200	2.9352	3.8429	2.9337	1.0074		2.1279	3.1811	3.1575	4.1906	2.1329	2.5423
C7	1.4930	2.1573	2.1076	2.1573	1.3699	2.1279		1.3190	2.1489	3.1729	2.2205	3.2446
N8	2.5050	3.2251	2.6080	3.2258	2.2150	3.1811	1.3190		1.3783	2.1460	2.2621	3.3237
C9	3.6076	4.2099	3.9261	4.2103	2.1793	3.1575	2.1489	1.3783		1.0797	1.3689	2.2484
H10	4.5807	5.2015	4.7503	5.2021	3.2366	4.1906	3.1729	2.1460	1.0797		2.2044	2.7720
C11	3.6568	4.0895	4.3148	4.0892	1.3797	2.1329	2.2205	2.2621	1.3689	2.2044		1.0779
H12	4.6195	4.9611	5.3515	4.9606	2.1534	2.5423	3.2446	3.3237	2.2484	2.7720	1.0779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.253	C1	C7	N8	125.834
H2	C1	H3	108.452	H2	C1	H4	107.683
H2	C1	C7	111.923	H3	C1	H4	108.453
H3	C1	C7	108.301	H4	C1	C7	111.924
N5	C7	N8	110.913	N5	C11	C9	104.909
N5	C11	H12	121.902	H6	N5	C7	126.365
H6	N5	C11	125.917	C7	N5	C11	107.718
C7	N8	C9	105.605	N8	C9	H10	121.150
N8	C9	C11	110.854	C9	C11	H12	133.188
H10	C9	C11	127.995

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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