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	hartrees
Energy at 0K	-263.922266
Energy at 298.15K	-263.930363
Nuclear repulsion energy	226.996174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3906	3549	80.68
2	A	3428	3115	5.97
3	A	3397	3086	7.56
4	A	3285	2984	8.84
5	A	3217	2922	30.67
6	A	3168	2878	33.56
7	A	1768	1606	65.90
8	A	1662	1510	10.12
9	A	1626	1477	12.97
10	A	1601	1455	7.75
11	A	1576	1432	44.89
12	A	1539	1399	0.46
13	A	1498	1361	2.10
14	A	1371	1246	15.67
15	A	1249	1135	15.59
16	A	1229	1117	0.19
17	A	1169	1062	32.62
18	A	1160	1054	1.09
19	A	1095	994	11.34
20	A	1050	954	6.66
21	A	1004	912	1.93
22	A	992	901	5.70
23	A	832	756	56.14
24	A	755	686	9.68
25	A	719	653	1.51
26	A	691	628	7.88
27	A	537	488	94.80
28	A	373	339	5.60
29	A	280	255	9.24
30	A	84	76	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	2.101	-0.025	0.000
H2	2.477	0.489	0.880
H3	2.479	-1.037	-0.001
H4	2.477	0.491	-0.879
N5	-0.163	1.041	0.000
H6	0.159	1.979	-0.002
C7	0.607	-0.072	-0.000
N8	-0.113	-1.142	-0.000
C9	-1.420	-0.717	-0.000
H10	-2.233	-1.413	0.000
C11	-1.476	0.628	-0.000
H12	-2.294	1.315	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0864	1.0806	1.0864	2.5022	2.7896	1.4944	2.4797	3.5881	4.5505	3.6352	4.5944
H2	1.0864		1.7620	1.7595	2.8373	2.8929	2.1415	3.1846	4.1732	5.1550	4.0517	4.9214
H3	1.0806	1.7620		1.7620	3.3613	3.8044	2.1059	2.5943	3.9119	4.7267	4.2906	5.3209
H4	1.0864	1.7595	1.7620		2.8367	2.8905	2.1416	3.1854	4.1735	5.1556	4.0513	4.9209
N5	2.5022	2.8373	3.3613	2.8367		0.9916	1.3536	2.1830	2.1612	3.2102	1.3756	2.1484
H6	2.7896	2.8929	3.8044	2.8905	0.9916		2.0990	3.1320	3.1245	4.1504	2.1204	2.5416
C7	1.4944	2.1415	2.1059	2.1416	1.3536	2.0990		1.2894	2.1272	3.1406	2.1971	3.2156
N8	2.4797	3.1846	2.5943	3.1854	2.1830	3.1320	1.2894		1.3738	2.1369	2.2332	3.2848
C9	3.5881	4.1732	3.9119	4.1735	2.1612	3.1245	2.1272	1.3738		1.0700	1.3467	2.2123
H10	4.5505	5.1550	4.7267	5.1556	3.2102	4.1504	3.1406	2.1369	1.0700		2.1773	2.7288
C11	3.6352	4.0517	4.2906	4.0513	1.3756	2.1204	2.1971	2.2332	1.3467	2.1773		1.0685
H12	4.5944	4.9214	5.3209	4.9209	2.1484	2.5416	3.2156	3.2848	2.2123	2.7288	1.0685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.868	C1	C7	N8	125.780
H2	C1	H3	108.809	H2	C1	H4	108.149
H2	C1	C7	111.173	H3	C1	H4	108.807
H3	C1	C7	108.670	H4	C1	C7	111.176
N5	C7	N8	111.352	N5	C11	C9	105.099
N5	C11	H12	122.543	H6	N5	C7	126.331
H6	N5	C11	126.445	C7	N5	C11	107.224
C7	N8	C9	105.980	N8	C9	H10	121.457
N8	C9	C11	110.346	C9	C11	H12	132.358
H10	C9	C11	128.197

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

using model chemistry: HF/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	-0.210
2	H	0.107
3	H	0.134
4	H	0.107
5	N	-0.453
6	H	0.236
7	C	0.329
8	N	-0.424
9	C	-0.048
10	H	0.097
11	C	0.018
12	H	0.109

	x	y	z	Total
	0.594	3.663	-0.003	3.711
CHELPG
AIM
ESP

	x	y	z
x	9.220	0.123	0.000
y	0.123	7.956	-0.000
z	0.000	-0.000	4.692

<r²>	137.214
(<r²>)^1/2	11.714

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

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

States and conformations

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