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	hartrees
Energy at 0K	-265.461346
Energy at 298.15K	-265.468967
HF Energy	-265.461346
Nuclear repulsion energy	224.364140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3542	25.43
2	A	3218	3173	6.12
3	A	3186	3142	7.46
4	A	3091	3048	5.65
5	A	3019	2977	22.79
6	A	2973	2931	41.59
7	A	1549	1527	34.57
8	A	1482	1461	1.66
9	A	1460	1440	3.41
10	A	1456	1436	6.12
11	A	1397	1377	33.32
12	A	1383	1364	1.30
13	A	1348	1329	1.25
14	A	1246	1229	15.38
15	A	1153	1136	4.40
16	A	1110	1094	2.19
17	A	1072	1057	21.41
18	A	1039	1024	0.69
19	A	984	970	10.66
20	A	944	930	2.26
21	A	918	905	3.26
22	A	827	815	10.17
23	A	699	689	36.79
24	A	672	663	0.90
25	A	672	662	11.20
26	A	629	620	10.32
27	A	499	492	59.59
28	A	340	335	4.77
29	A	240	237	5.50
30	A	61	60	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	2.115	-0.024	-0.000
H2	2.507	0.489	0.886
H3	2.493	-1.048	-0.001
H4	2.507	0.491	-0.885
N5	-0.166	1.052	0.000
H6	0.155	2.007	-0.000
C7	0.625	-0.070	-0.000
N8	-0.122	-1.162	0.000
C9	-1.433	-0.729	0.000
H10	-2.258	-1.428	0.000
C11	-1.488	0.643	-0.000
H12	-2.306	1.346	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0968	1.0909	1.0968	2.5226	2.8229	1.4906	2.5100	3.6180	4.5931	3.6645	4.6293
H2	1.0968		1.7750	1.7719	2.8716	2.9359	2.1537	3.2285	4.2183	5.2120	4.0947	4.9685
H3	1.0909	1.7750		1.7750	3.3882	3.8468	2.1080	2.6176	3.9393	4.7664	4.3251	5.3635
H4	1.0968	1.7719	1.7750		2.8711	2.9346	2.1537	3.2292	4.2187	5.2126	4.0944	4.9680
N5	2.5226	2.8716	3.3882	2.8711		1.0076	1.3733	2.2144	2.1857	3.2442	1.3835	2.1603
H6	2.8229	2.9359	3.8468	2.9346	1.0076		2.1298	3.1811	3.1636	4.1976	2.1352	2.5483
C7	1.4906	2.1537	2.1080	2.1537	1.3733	2.1298		1.3231	2.1616	3.1871	2.2304	3.2561
N8	2.5100	3.2285	2.6176	3.2292	2.2144	3.1811	1.3231		1.3810	2.1526	2.2636	3.3263
C9	3.6180	4.2183	3.9393	4.2187	2.1857	3.1636	2.1616	1.3810		1.0810	1.3732	2.2517
H10	4.5931	5.2120	4.7664	5.2126	3.2442	4.1976	3.1871	2.1526	1.0810		2.2094	2.7747
C11	3.6645	4.0947	4.3251	4.0944	1.3835	2.1352	2.2304	2.2636	1.3732	2.2094		1.0792
H12	4.6293	4.9685	5.3635	4.9680	2.1603	2.5483	3.2561	3.3263	2.2517	2.7747	1.0792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.605	C1	C7	N8	126.315
H2	C1	H3	108.436	H2	C1	H4	107.793
H2	C1	C7	111.808	H3	C1	H4	108.438
H3	C1	C7	108.453	H4	C1	C7	111.810
N5	C7	N8	110.081	N5	C11	C9	104.883
N5	C11	H12	122.248	H6	N5	C7	126.007
H6	N5	C11	125.736	C7	N5	C11	108.257
C7	N8	C9	106.393	N8	C9	H10	121.594
N8	C9	C11	110.386	C9	C11	H12	132.869
H10	C9	C11	128.020

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

using model chemistry: B97D3/cc-pVTZ

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	-0.261
2	H	0.087
3	H	0.107
4	H	0.087
5	N	-0.026
6	H	0.138
7	C	0.090
8	N	-0.200
9	C	-0.077
10	H	0.097
11	C	-0.142
12	H	0.100

	x	y	z	Total
	0.578	3.445	-0.000	3.493
CHELPG
AIM
ESP

	x	y	z
x	11.388	0.019	0.000
y	0.019	9.090	-0.000
z	0.000	-0.000	5.562

<r²>	139.690
(<r²>)^1/2	11.819

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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