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	hartrees
Energy at 0K	-265.420857
Energy at 298.15K	-265.428523
HF Energy	-265.420857
Nuclear repulsion energy	225.301045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3494	61.63
2	A	3310	3135	1.43
3	A	3279	3106	5.32
4	A	3195	3026	2.13
5	A	3140	2974	13.70
6	A	3078	2915	21.11
7	A	1648	1561	42.57
8	A	1565	1482	6.78
9	A	1535	1454	5.64
10	A	1514	1434	8.36
11	A	1482	1403	44.78
12	A	1446	1370	0.05
13	A	1420	1345	1.07
14	A	1297	1228	16.29
15	A	1211	1147	3.02
16	A	1155	1094	3.86
17	A	1121	1061	28.19
18	A	1072	1015	1.90
19	A	1021	967	7.00
20	A	981	929	1.60
21	A	933	884	2.79
22	A	872	826	8.08
23	A	738	699	41.24
24	A	700	663	4.02
25	A	690	653	1.33
26	A	655	620	18.31
27	A	555	526	81.38
28	A	344	326	5.25
29	A	252	239	6.17
30	A	15	14	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	2.082	-0.033	0.002
H2	2.469	0.147	1.008
H3	2.456	-0.991	-0.350
H4	2.458	0.757	-0.657
N5	-0.170	1.025	-0.001
H6	0.146	1.957	-0.002
C7	0.609	-0.057	-0.001
N8	-0.134	-1.132	-0.002
C9	-1.401	-0.722	0.001
H10	-2.231	-1.362	0.002
C11	-1.439	0.640	0.001
H12	-2.275	1.270	0.003

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0928	1.0876	1.0943	2.4877	2.7761	1.4727	2.4738	3.5501	4.5130	3.5845	4.5473
H2	1.0928		1.7721	1.7724	2.9584	3.1130	2.1251	3.0711	4.0915	5.0375	4.0654	4.9773
H3	1.0876	1.7721		1.7744	3.3291	3.7618	2.0992	2.6176	3.8821	4.7149	4.2375	5.2554
H4	1.0943	1.7724	1.7744		2.7218	2.6866	2.1238	3.2735	4.1846	5.1876	3.9541	4.8064
N5	2.4877	2.9584	3.3291	2.7218		0.9838	1.3331	2.1571	2.1373	3.1538	1.3263	2.1193
H6	2.7761	3.1130	3.7618	2.6866	0.9838		2.0663	3.1013	3.0934	4.0822	2.0606	2.5164
C7	1.4727	2.1251	2.0992	2.1238	1.3331	2.0663		1.3072	2.1172	3.1258	2.1635	3.1746
N8	2.4738	3.0711	2.6176	3.2735	2.1571	3.1013	1.3072		1.3308	2.1092	2.2002	3.2170
C9	3.5501	4.0915	3.8821	4.1846	2.1373	3.0934	2.1172	1.3308		1.0482	1.3628	2.1754
H10	4.5130	5.0375	4.7149	5.1876	3.1538	4.0822	3.1258	2.1092	1.0482		2.1530	2.6322
C11	3.5845	4.0654	4.2375	3.9541	1.3263	2.0606	2.1635	2.2002	1.3628	2.1530		1.0466
H12	4.5473	4.9773	5.2554	4.8064	2.1193	2.5164	3.1746	3.2170	2.1754	2.6322	1.0466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	124.826	C1	C7	N8	125.610
H2	C1	H3	108.719	H2	C1	H4	108.260
H2	C1	C7	110.986	H3	C1	H4	108.818
H3	C1	C7	109.219	H4	C1	C7	110.786
N5	C7	N8	109.564	N5	C11	C9	105.265
N5	C11	H12	126.127	H6	N5	C7	125.528
H6	N5	C11	125.590	C7	N5	C11	108.882
C7	N8	C9	106.753	N8	C9	H10	124.464
N8	C9	C11	109.535	C9	C11	H12	128.608
H10	C9	C11	126.000

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

using model chemistry: M06-2X/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	-0.550
2	H	0.178
3	H	0.210
4	H	0.176
5	N	-0.642
6	H	0.357
7	C	0.466
8	N	-0.483
9	C	-0.059
10	H	0.164
11	C	0.001
12	H	0.183

	x	y	z	Total
	0.494	3.624	0.001	3.657
CHELPG
AIM
ESP

	x	y	z
x	9.576	0.144	0.004
y	0.144	7.854	-0.001
z	0.004	-0.001	4.035

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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