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	hartrees
Energy at 0K	-263.771179
Energy at 298.15K	-263.779392
Nuclear repulsion energy	224.757992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3948	3553	88.68
2	A	3518	3165	7.84
3	A	3490	3141	3.74
4	A	3342	3007	12.23
5	A	3276	2948	38.60
6	A	3207	2886	45.81
7	A	1752	1577	66.43
8	A	1658	1492	5.34
9	A	1640	1476	5.55
10	A	1640	1476	14.31
11	A	1577	1419	1.07
12	A	1558	1402	49.94
13	A	1493	1344	2.20
14	A	1398	1258	24.72
15	A	1261	1135	17.34
16	A	1216	1094	3.47
17	A	1198	1078	3.82
18	A	1190	1071	33.25
19	A	1099	989	17.75
20	A	1062	956	8.14
21	A	1023	920	4.97
22	A	1017	915	1.83
23	A	866	779	78.54
24	A	763	687	22.27
25	A	723	650	2.32
26	A	715	643	152.71
27	A	694	625	11.12
28	A	371	334	6.86
29	A	284	255	9.42
30	A	93	84	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	2.120	-0.027	0.000
H2	2.502	0.481	0.879
H3	2.495	-1.039	-0.001
H4	2.502	0.483	-0.878
N5	-0.164	1.053	0.000
H6	0.154	1.992	-0.001
C7	0.627	-0.070	-0.000
N8	-0.117	-1.150	-0.000
C9	-1.443	-0.726	0.000
H10	-2.248	-1.422	0.000
C11	-1.491	0.636	0.000
H12	-2.310	1.316	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0847	1.0790	1.0847	2.5270	2.8183	1.4943	2.5032	3.6313	4.5858	3.6720	4.6293
H2	1.0847		1.7563	1.7569	2.8652	2.9275	2.1432	3.2081	4.2182	5.1921	4.0919	4.9623
H3	1.0790	1.7563		1.7563	3.3835	3.8297	2.1049	2.6144	3.9507	4.7588	4.3241	5.3511
H4	1.0847	1.7569	1.7563		2.8645	2.9256	2.1432	3.2087	4.2186	5.1927	4.0916	4.9619
N5	2.5270	2.8652	3.3835	2.8645		0.9917	1.3733	2.2034	2.1908	3.2352	1.3908	2.1617
H6	2.8183	2.9275	3.8297	2.9256	0.9917		2.1153	3.1537	3.1526	4.1744	2.1320	2.5551
C7	1.4943	2.1432	2.1049	2.1432	1.3733	2.1153		1.3114	2.1712	3.1769	2.2325	3.2471
N8	2.5032	3.2081	2.6144	3.2087	2.2034	3.1537	1.3114		1.3923	2.1486	2.2538	3.3001
C9	3.6313	4.2182	3.9507	4.2186	2.1908	3.1526	2.1712	1.3923		1.0641	1.3631	2.2184
H10	4.5858	5.1921	4.7588	5.1927	3.2352	4.1744	3.1769	2.1486	1.0641		2.1928	2.7385
C11	3.6720	4.0919	4.3241	4.0916	1.3908	2.1320	2.2325	2.2538	1.3631	2.1928		1.0641
H12	4.6293	4.9623	5.3511	4.9619	2.1617	2.5551	3.2471	3.3001	2.2184	2.7385	1.0641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.527	C1	C7	N8	126.177
H2	C1	H3	108.528	H2	C1	H4	108.170
H2	C1	C7	111.420	H3	C1	H4	108.529
H3	C1	C7	108.692	H4	C1	C7	111.421
N5	C7	N8	110.296	N5	C11	C9	105.403
N5	C11	H12	122.863	H6	N5	C7	126.105
H6	N5	C11	126.159	C7	N5	C11	107.736
C7	N8	C9	106.808	N8	C9	H10	121.437
N8	C9	C11	109.757	C9	C11	H12	131.735
H10	C9	C11	128.805

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

using model chemistry: HF/LANL2DZ

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	-0.615
2	H	0.189
3	H	0.236
4	H	0.189
5	N	-0.602
6	H	0.378
7	C	0.366
8	N	-0.268
9	C	-0.204
10	H	0.227
11	C	-0.127
12	H	0.232

	x	y	z	Total
	0.547	4.108	-0.001	4.145
CHELPG
AIM
ESP

	x	y	z
x	8.687	0.152	0.000
y	0.152	7.810	-0.000
z	0.000	-0.000	4.097

<r²>	139.976
(<r²>)^1/2	11.831

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

using model chemistry: HF/LANL2DZ

States and conformations

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