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	hartrees
Energy at 0K	-265.490357
Energy at 298.15K	-265.498178
Nuclear repulsion energy	225.927341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3682	3535	48.80
2	A	3289	3158	3.37
3	A	3256	3126	6.63
4	A	3168	3041	4.02
5	A	3102	2978	19.52
6	A	3045	2924	31.51
7	A	1618	1553	42.26
8	A	1538	1477	5.49
9	A	1504	1444	5.61
10	A	1480	1421	8.77
11	A	1450	1392	40.27
12	A	1422	1366	0.48
13	A	1394	1338	0.56
14	A	1283	1232	14.66
15	A	1202	1154	3.73
16	A	1141	1095	4.07
17	A	1111	1066	28.68
18	A	1056	1014	1.34
19	A	1008	968	9.08
20	A	968	929	1.63
21	A	926	889	3.00
22	A	870	835	9.64
23	A	734	705	47.56
24	A	695	667	3.64
25	A	684	657	1.10
26	A	647	621	15.50
27	A	549	527	69.25
28	A	345	332	5.12
29	A	253	243	5.85
30	A	89	86	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	2.101	-0.023	0.000
H2	2.493	0.486	0.884
H3	2.472	-1.044	-0.001
H4	2.493	0.488	-0.883
N5	-0.167	1.046	0.000
H6	0.152	1.999	-0.001
C7	0.616	-0.069	-0.000
N8	-0.118	-1.154	-0.000
C9	-1.419	-0.725	-0.000
H10	-2.240	-1.424	0.000
C11	-1.477	0.637	0.000
H12	-2.298	1.333	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0928	1.0873	1.0928	2.5074	2.8080	1.4853	2.4908	3.5892	4.5612	3.6385	4.6029
H2	1.0928		1.7684	1.7675	2.8584	2.9239	2.1472	3.2075	4.1892	5.1793	4.0700	4.9444
H3	1.0873	1.7684		1.7684	3.3673	3.8271	2.0969	2.5927	3.9043	4.7272	4.2926	5.3298
H4	1.0928	1.7675	1.7684		2.8578	2.9224	2.1472	3.2082	4.1895	5.1798	4.0698	4.9441
N5	2.5074	2.8584	3.3673	2.8578		1.0051	1.3627	2.2008	2.1690	3.2244	1.3725	2.1498
H6	2.8080	2.9239	3.8271	2.9224	1.0051		2.1193	3.1648	3.1450	4.1761	2.1241	2.5391
C7	1.4853	2.1472	2.0969	2.1472	1.3627	2.1193		1.3105	2.1385	3.1612	2.2093	3.2337
N8	2.4908	3.2075	2.5927	3.2082	2.2008	3.1648	1.3105		1.3696	2.1386	2.2482	3.3070
C9	3.5892	4.1892	3.9043	4.1895	2.1690	3.1450	2.1385	1.3696		1.0780	1.3632	2.2380
H10	4.5612	5.1793	4.7272	5.1798	3.2244	4.1761	3.1612	2.1386	1.0780		2.1973	2.7576
C11	3.6385	4.0700	4.2926	4.0698	1.3725	2.1241	2.2093	2.2482	1.3632	2.1973		1.0761
H12	4.6029	4.9444	5.3298	4.9441	2.1498	2.5391	3.2337	3.3070	2.2380	2.7576	1.0761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.325	C1	C7	N8	125.861
H2	C1	H3	108.417	H2	C1	H4	107.930
H2	C1	C7	111.884	H3	C1	H4	108.419
H3	C1	C7	108.197	H4	C1	C7	111.887
N5	C7	N8	110.815	N5	C11	C9	104.900
N5	C11	H12	122.331	H6	N5	C7	126.360
H6	N5	C11	125.896	C7	N5	C11	107.744
C7	N8	C9	105.839	N8	C9	H10	121.341
N8	C9	C11	110.703	C9	C11	H12	132.770
H10	C9	C11	127.956

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

using model chemistry: B1B95/6-311G**

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	-0.320
2	H	0.135
3	H	0.156
4	H	0.135
5	N	-0.395
6	H	0.233
7	C	0.256
8	N	-0.332
9	C	-0.100
10	H	0.105
11	C	0.014
12	H	0.114

	x	y	z	Total
	0.536	3.570	-0.001	3.610
CHELPG
AIM
ESP

	x	y	z
x	10.297	0.082	0.000
y	0.082	8.289	0.000
z	0.000	0.000	4.814

<r²>	137.862
(<r²>)^1/2	11.741

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

using model chemistry: B1B95/6-311G**

States and conformations

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