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	hartrees
Energy at 0K	-265.465553
Energy at 298.15K	-265.473173
HF Energy	-265.465553
Nuclear repulsion energy	224.340766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3588	3533	27.05
2	A	3218	3168	4.88
3	A	3188	3140	5.69
4	A	3091	3044	4.94
5	A	3019	2973	20.57
6	A	2973	2928	40.91
7	A	1548	1524	33.14
8	A	1481	1458	2.45
9	A	1459	1437	5.21
10	A	1455	1433	6.29
11	A	1394	1373	34.84
12	A	1383	1362	2.47
13	A	1344	1324	1.04
14	A	1243	1224	15.69
15	A	1150	1132	5.03
16	A	1109	1092	2.25
17	A	1070	1054	21.06
18	A	1040	1024	0.53
19	A	984	969	10.03
20	A	943	929	2.76
21	A	916	902	2.70
22	A	834	821	9.88
23	A	705	694	48.25
24	A	673	662	7.97
25	A	672	662	0.66
26	A	628	618	10.04
27	A	512	504	62.23
28	A	341	336	5.00
29	A	241	238	5.85
30	A	52	51	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	2.116	-0.025	-0.000
H2	2.506	0.489	0.886
H3	2.496	-1.048	-0.001
H4	2.506	0.491	-0.885
N5	-0.165	1.052	0.000
H6	0.157	2.007	0.000
C7	0.626	-0.072	-0.000
N8	-0.123	-1.162	-0.000
C9	-1.435	-0.728	0.000
H10	-2.260	-1.427	0.000
C11	-1.488	0.643	-0.000
H12	-2.305	1.348	-0.001

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0967	1.0908	1.0967	2.5221	2.8226	1.4903	2.5104	3.6197	4.5945	3.6648	4.6289
H2	1.0967		1.7747	1.7716	2.8697	2.9339	2.1528	3.2283	4.2190	5.2125	4.0939	4.9668
H3	1.0908	1.7747		1.7747	3.3892	3.8472	2.1091	2.6211	3.9438	4.7707	4.3275	5.3653
H4	1.0967	1.7716	1.7747		2.8693	2.9328	2.1528	3.2289	4.2194	5.2131	4.0935	4.9661
N5	2.5221	2.8697	3.3892	2.8693		1.0077	1.3739	2.2136	2.1868	3.2454	1.3844	2.1604
H6	2.8226	2.9339	3.8472	2.9328	1.0077		2.1307	3.1806	3.1645	4.1987	2.1361	2.5479
C7	1.4903	2.1528	2.1091	2.1528	1.3739	2.1307		1.3224	2.1633	3.1883	2.2314	3.2568
N8	2.5104	3.2283	2.6211	3.2289	2.2136	3.1806	1.3224		1.3819	2.1533	2.2627	3.3257
C9	3.6197	4.2190	3.9438	4.2194	2.1868	3.1645	2.1633	1.3819		1.0808	1.3726	2.2515
H10	4.5945	5.2125	4.7707	5.2131	3.2454	4.1987	3.1883	2.1533	1.0808		2.2095	2.7757
C11	3.6648	4.0939	4.3275	4.0935	1.3844	2.1361	2.2314	2.2627	1.3726	2.2095		1.0793
H12	4.6289	4.9668	5.3653	4.9661	2.1604	2.5479	3.2568	3.3257	2.2515	2.7757	1.0793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.371	C1	C7	N8	126.277
H2	C1	H3	108.447	H2	C1	H4	107.744
H2	C1	C7	111.742	H3	C1	H4	108.449
H3	C1	C7	108.616	H4	C1	C7	111.743
N5	C7	N8	110.352	N5	C11	C9	104.962
N5	C11	H12	122.049	H6	N5	C7	126.243
H6	N5	C11	125.765	C7	N5	C11	107.992
C7	N8	C9	106.229	N8	C9	H10	121.465
N8	C9	C11	110.465	C9	C11	H12	132.989
H10	C9	C11	128.070

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

using model chemistry: B97D3/aug-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	-0.279
2	H	0.141
3	H	0.148
4	H	0.141
5	N	0.175
6	H	-0.046
7	C	0.044
8	N	-0.445
9	C	-0.114
10	H	0.343
11	C	-0.456
12	H	0.349

	x	y	z	Total
	0.612	3.473	0.000	3.526
CHELPG
AIM
ESP

	x	y	z
x	12.194	-0.067	0.001
y	-0.067	10.009	-0.001
z	0.001	-0.001	6.669

<r²>	139.976
(<r²>)^1/2	11.831

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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