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	hartrees
Energy at 0K	-263.895762
Energy at 298.15K	-263.903839
Nuclear repulsion energy	226.392306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3905	3556	79.87
2	A	3442	3134	3.07
3	A	3411	3106	5.34
4	A	3295	3001	7.85
5	A	3229	2940	24.63
6	A	3173	2890	32.50
7	A	1758	1601	57.90
8	A	1661	1513	14.80
9	A	1616	1472	18.59
10	A	1582	1440	6.63
11	A	1560	1421	37.92
12	A	1527	1391	0.77
13	A	1489	1356	2.76
14	A	1366	1244	15.53
15	A	1246	1135	14.30
16	A	1223	1114	0.05
17	A	1162	1058	32.30
18	A	1150	1047	0.77
19	A	1087	990	9.42
20	A	1044	951	5.70
21	A	997	908	1.53
22	A	978	891	6.42
23	A	824	750	69.02
24	A	750	683	10.26
25	A	719	654	1.31
26	A	685	624	7.09
27	A	531	484	82.36
28	A	374	340	5.94
29	A	280	255	9.28
30	A	80	72	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	2.105	-0.026	0.000
H2	2.482	0.490	0.884
H3	2.483	-1.043	-0.001
H4	2.482	0.491	-0.883
N5	-0.163	1.042	-0.000
H6	0.164	1.981	-0.000
C7	0.610	-0.071	-0.000
N8	-0.115	-1.145	-0.000
C9	-1.424	-0.719	0.000
H10	-2.244	-1.415	0.000
C11	-1.478	0.632	0.000
H12	-2.301	1.321	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0910	1.0853	1.0910	2.5062	2.7916	1.4955	2.4856	3.5964	4.5648	3.6424	4.6068
H2	1.0910		1.7701	1.7674	2.8427	2.8945	2.1453	3.1936	4.1838	5.1715	4.0601	4.9345
H3	1.0853	1.7701		1.7701	3.3688	3.8109	2.1105	2.5999	3.9208	4.7414	4.3006	5.3364
H4	1.0910	1.7674	1.7701		2.8423	2.8936	2.1453	3.1941	4.1842	5.1720	4.0600	4.9343
N5	2.5062	2.8427	3.3688	2.8423		0.9938	1.3551	2.1881	2.1670	3.2204	1.3781	2.1564
H6	2.7916	2.8945	3.8109	2.8936	0.9938		2.1000	3.1386	3.1329	4.1632	2.1254	2.5517
C7	1.4955	2.1453	2.1105	2.1453	1.3551	2.1000		1.2956	2.1349	3.1542	2.2029	3.2266
N8	2.4856	3.1936	2.5999	3.1941	2.1881	3.1386	1.2956		1.3770	2.1459	2.2395	3.2958
C9	3.5964	4.1838	3.9208	4.1842	2.1670	3.1329	2.1349	1.3770		1.0750	1.3520	2.2209
H10	4.5648	5.1715	4.7414	5.1720	3.2204	4.1632	3.1542	2.1459	1.0750		2.1854	2.7371
C11	3.6424	4.0601	4.3006	4.0600	1.3781	2.1254	2.2029	2.2395	1.3520	2.1854		1.0736
H12	4.6068	4.9345	5.3364	4.9343	2.1564	2.5517	3.2266	3.2958	2.2209	2.7371	1.0736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.013	C1	C7	N8	125.736
H2	C1	H3	108.843	H2	C1	H4	108.186
H2	C1	C7	111.114	H3	C1	H4	108.846
H3	C1	C7	108.683	H4	C1	C7	111.117
N5	C7	N8	111.251	N5	C11	C9	105.064
N5	C11	H12	122.693	H6	N5	C7	126.065
H6	N5	C11	126.530	C7	N5	C11	107.405
C7	N8	C9	105.991	N8	C9	H10	121.643
N8	C9	C11	110.289	C9	C11	H12	132.243
H10	C9	C11	128.068

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

using model chemistry: HF/aug-cc-pVDZ

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	0.596
2	H	0.007
3	H	-0.069
4	H	0.007
5	N	-0.600
6	H	-0.150
7	C	0.043
8	N	-0.806
9	C	0.666
10	H	-0.252
11	C	0.823
12	H	-0.266

	x	y	z	Total
	0.702	3.627	0.000	3.694
CHELPG
AIM
ESP

<r²>	138.095
(<r²>)^1/2	11.751

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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