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	hartrees
Energy at 0K	-265.246184
Energy at 298.15K	-265.253894
HF Energy	-264.967770
Nuclear repulsion energy	224.612527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3481	44.53
2	A	3320	3152	3.73
3	A	3291	3124	6.46
4	A	3197	3034	4.17
5	A	3133	2974	20.29
6	A	3077	2921	29.82
7	A	1613	1531	34.69
8	A	1553	1475	0.89
9	A	1534	1456	7.66
10	A	1532	1454	4.37
11	A	1471	1396	42.02
12	A	1457	1383	0.55
13	A	1416	1344	1.21
14	A	1298	1232	15.50
15	A	1203	1142	4.30
16	A	1150	1091	2.16
17	A	1121	1064	24.11
18	A	1087	1031	1.30
19	A	1021	969	9.86
20	A	982	932	1.45
21	A	931	884	3.13
22	A	839	796	13.56
23	A	716	680	30.04
24	A	684	649	6.18
25	A	683	649	1.91
26	A	640	608	20.28
27	A	497	471	77.83
28	A	348	330	5.13
29	A	250	237	6.03
30	A	79	75	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	2.082	-0.033	0.002
H2	2.471	0.146	1.007
H3	2.457	-0.991	-0.350
H4	2.460	0.756	-0.656
N5	-0.170	1.026	-0.001
H6	0.145	1.957	-0.001
C7	0.610	-0.056	-0.001
N8	-0.136	-1.133	-0.002
C9	-1.402	-0.722	0.002
H10	-2.232	-1.360	0.002
C11	-1.439	0.641	0.001
H12	-2.273	1.270	0.003

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0928	1.0873	1.0943	2.4884	2.7773	1.4721	2.4758	3.5522	4.5138	3.5855	4.5467
H2	1.0928		1.7710	1.7714	2.9602	3.1154	2.1257	3.0741	4.0950	5.0396	4.0677	4.9782
H3	1.0873	1.7710		1.7736	3.3301	3.7629	2.0991	2.6200	3.8848	4.7167	4.2390	5.2553
H4	1.0943	1.7714	1.7736		2.7231	2.6889	2.1235	3.2760	4.1873	5.1888	3.9557	4.8066
N5	2.4884	2.9602	3.3301	2.7231		0.9826	1.3340	2.1590	2.1390	3.1538	1.3268	2.1181
H6	2.7773	3.1154	3.7629	2.6889	0.9826		2.0663	3.1024	3.0937	4.0806	2.0593	2.5138
C7	1.4721	2.1257	2.0991	2.1235	1.3340	2.0663		1.3099	2.1201	3.1271	2.1650	3.1745
N8	2.4758	3.0741	2.6200	3.2760	2.1590	3.1024	1.3099		1.3316	2.1085	2.2014	3.2166
C9	3.5522	4.0950	3.8848	4.1873	2.1390	3.0937	2.1201	1.3316		1.0465	1.3637	2.1747
H10	4.5138	5.0396	4.7167	5.1888	3.1538	4.0806	3.1271	2.1085	1.0465		2.1525	2.6310
C11	3.5855	4.0677	4.2390	3.9557	1.3268	2.0593	2.1650	2.2014	1.3637	2.1525		1.0451
H12	4.5467	4.9782	5.2553	4.8066	2.1181	2.5138	3.1745	3.2166	2.1747	2.6310	1.0451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	124.873	C1	C7	N8	125.632
H2	C1	H3	108.652	H2	C1	H4	108.179
H2	C1	C7	111.082	H3	C1	H4	108.774
H3	C1	C7	109.279	H4	C1	C7	110.814
N5	C7	N8	109.495	N5	C11	C9	105.311
N5	C11	H12	126.106	H6	N5	C7	125.561
H6	N5	C11	125.519	C7	N5	C11	108.919
C7	N8	C9	106.758	N8	C9	H10	124.467
N8	C9	C11	109.516	C9	C11	H12	128.583
H10	C9	C11	126.016

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

using model chemistry: B2PLYP/6-31G*

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	-0.539
2	H	0.170
3	H	0.204
4	H	0.170
5	N	-0.658
6	H	0.358
7	C	0.501
8	N	-0.505
9	C	-0.042
10	H	0.160
11	C	0.004
12	H	0.177

	x	y	z
x	9.646	0.139	-0.000
y	0.139	7.858	-0.001
z	-0.000	-0.001	3.999

<r²>	139.126
(<r²>)^1/2	11.795

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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