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	hartrees
Energy at 0K	-264.081814
Energy at 298.15K	-264.089483
Nuclear repulsion energy	225.508593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3552	3485	35.38
2	A	3221	3161	1.16
3	A	3187	3128	5.06
4	A	3109	3051	0.86
5	A	3044	2987	10.23
6	A	2983	2927	24.31
7	A	1595	1566	41.26
8	A	1519	1490	2.49
9	A	1480	1452	6.61
10	A	1443	1416	11.34
11	A	1421	1394	24.67
12	A	1411	1385	12.90
13	A	1367	1341	0.98
14	A	1278	1254	14.92
15	A	1199	1177	2.67
16	A	1120	1099	10.67
17	A	1090	1069	24.42
18	A	1026	1007	3.96
19	A	986	967	8.59
20	A	940	923	0.13
21	A	905	888	3.52
22	A	817	802	11.04
23	A	697	684	22.18
24	A	683	670	1.49
25	A	676	663	15.94
26	A	637	625	19.90
27	A	538	528	71.54
28	A	336	330	5.52
29	A	245	241	5.56
30	A	91	90	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	2.095	-0.023	0.000
H2	2.504	0.485	0.893
H3	2.464	-1.060	-0.001
H4	2.505	0.487	-0.891
N5	-0.167	1.047	0.000
H6	0.159	2.012	-0.001
C7	0.620	-0.068	-0.000
N8	-0.121	-1.157	-0.000
C9	-1.417	-0.729	0.000
H10	-2.250	-1.434	0.000
C11	-1.475	0.642	0.000
H12	-2.303	1.350	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1055	1.1004	1.1055	2.5020	2.8088	1.4755	2.4898	3.5824	4.5684	3.6316	4.6071
H2	1.1055		1.7850	1.7840	2.8718	2.9377	2.1570	3.2231	4.2010	5.2041	4.0815	4.9652
H3	1.1004	1.7850		1.7850	3.3700	3.8403	2.0935	2.5870	3.8951	4.7285	4.2907	5.3409
H4	1.1055	1.7840	1.7850		2.8712	2.9360	2.1570	3.2238	4.2014	5.2047	4.0813	4.9649
N5	2.5020	2.8718	3.3700	2.8712		1.0195	1.3642	2.2045	2.1713	3.2394	1.3697	2.1574
H6	2.8088	2.9377	3.8403	2.9360	1.0195		2.1306	3.1823	3.1621	4.2053	2.1334	2.5499
C7	1.4755	2.1570	2.0935	2.1570	1.3642	2.1306		1.3181	2.1419	3.1788	2.2122	3.2485
N8	2.4898	3.2231	2.5870	3.2238	2.2045	3.1823	1.3181		1.3650	2.1465	2.2516	3.3233
C9	3.5824	4.2010	3.8951	4.2014	2.1713	3.1621	2.1419	1.3650		1.0915	1.3714	2.2590
H10	4.5684	5.2041	4.7285	5.2047	3.2394	4.2053	3.1788	2.1465	1.0915		2.2156	2.7843
C11	3.6316	4.0815	4.2907	4.0813	1.3697	2.1334	2.2122	2.2516	1.3714	2.2156		1.0891
H12	4.6071	4.9652	5.3409	4.9649	2.1574	2.5499	3.2485	3.3233	2.2590	2.7843	1.0891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.495	C1	C7	N8	125.971
H2	C1	H3	108.032	H2	C1	H4	107.576
H2	C1	C7	112.588	H3	C1	H4	108.034
H3	C1	C7	107.842	H4	C1	C7	112.590
N5	C7	N8	110.533	N5	C11	C9	104.772
N5	C11	H12	122.253	H6	N5	C7	126.103
H6	N5	C11	125.862	C7	N5	C11	108.034
C7	N8	C9	105.922	N8	C9	H10	121.410
N8	C9	C11	110.738	C9	C11	H12	132.975
H10	C9	C11	127.852

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

using model chemistry: LSDA/6-31G*

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	-0.637
2	H	0.191
3	H	0.223
4	H	0.191
5	N	-0.565
6	H	0.343
7	C	0.442
8	N	-0.414
9	C	-0.083
10	H	0.153
11	C	-0.013
12	H	0.170

	x	y	z	Total
	0.541	3.589	-0.001	3.630
CHELPG
AIM
ESP

	x	y	z
x	10.226	0.128	0.000
y	0.128	8.070	-0.000
z	0.000	-0.000	4.108

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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