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	hartrees
Energy at 0K	-262.116850
Energy at 298.15K	-262.124247
Nuclear repulsion energy	220.717479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3793	3349	49.12
2	A	3550	3135	16.25
3	A	3519	3107	1.82
4	A	3516	3105	15.91
5	A	3478	3071	0.07
6	A	3327	2938	0.78
7	A	1680	1483	28.09
8	A	1669	1473	0.74
9	A	1658	1464	7.32
10	A	1621	1432	5.88
11	A	1556	1374	1.73
12	A	1535	1356	16.77
13	A	1495	1320	2.02
14	A	1327	1172	23.62
15	A	1205	1064	1.42
16	A	1181	1043	5.00
17	A	1142	1008	8.90
18	A	1141	1007	4.70
19	A	1057	933	0.97
20	A	1000	883	2.49
21	A	937	828	1.49
22	A	913	807	1.78
23	A	781	689	18.96
24	A	692	611	1.61
25	A	662	584	0.52
26	A	646	570	13.24
27	A	490	433	75.62
28	A	336	297	3.30
29	A	255	225	3.58
30	A	101	89	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	2.147	-0.016	0.000
H2	2.528	0.503	0.893
H3	2.536	-1.042	-0.001
H4	2.528	0.505	-0.891
N5	-0.170	1.072	0.000
H6	0.159	2.059	-0.001
C7	0.632	-0.078	-0.000
N8	-0.119	-1.209	-0.000
C9	-1.455	-0.723	-0.000
H10	-2.299	-1.417	0.000
C11	-1.506	0.649	0.000
H12	-2.332	1.362	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1007	1.0971	1.1007	2.5594	2.8733	1.5155	2.5608	3.6703	4.6614	3.7127	4.6859
H2	1.1007		1.7848	1.7838	2.8979	2.9712	2.1743	3.2766	4.2618	5.2710	4.1340	5.0152
H3	1.0971	1.7848		1.7848	3.4338	3.9070	2.1338	2.6611	4.0039	4.8502	4.3816	5.4294
H4	1.1007	1.7838	1.7848		2.8973	2.9693	2.1743	3.2772	4.2621	5.2716	4.1337	5.0148
N5	2.5594	2.8979	3.4338	2.8973		1.0409	1.4023	2.2809	2.2073	3.2748	1.4013	2.1814
H6	2.8733	2.9712	3.9070	2.9693	1.0409		2.1891	3.2796	3.2166	4.2573	2.1824	2.5872
C7	1.5155	2.1743	2.1338	2.1743	1.4023	2.1891		1.3576	2.1846	3.2227	2.2587	3.2958
N8	2.5608	3.2766	2.6611	3.2772	2.2809	3.2796	1.3576		1.4209	2.1898	2.3179	3.3916
C9	3.6703	4.2618	4.0039	4.2621	2.2073	3.2166	2.1846	1.4209		1.0926	1.3729	2.2620
H10	4.6614	5.2710	4.8502	5.2716	3.2748	4.2573	3.2227	2.1898	1.0926		2.2123	2.7784
C11	3.7127	4.1340	4.3816	4.1337	1.4013	2.1824	2.2587	2.3179	1.3729	2.2123		1.0912
H12	4.6859	5.0152	5.4294	5.0148	2.1814	2.5872	3.2958	3.3916	2.2620	2.7784	1.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.557	C1	C7	N8	125.983
H2	C1	H3	108.598	H2	C1	H4	108.247
H2	C1	C7	111.432	H3	C1	H4	108.600
H3	C1	C7	108.454	H4	C1	C7	111.433
N5	C7	N8	111.459	N5	C11	C9	105.428
N5	C11	H12	121.634	H6	N5	C7	126.638
H6	N5	C11	126.017	C7	N5	C11	107.344
C7	N8	C9	103.652	N8	C9	H10	120.638
N8	C9	C11	112.116	C9	C11	H12	132.938
H10	C9	C11	127.247

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

using model chemistry: B1B95/STO-3G

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	-0.240
2	H	0.089
3	H	0.108
4	H	0.089
5	N	-0.272
6	H	0.232
7	C	0.148
8	N	-0.252
9	C	-0.049
10	H	0.085
11	C	-0.031
12	H	0.094

	x	y	z	Total
	0.522	3.523	-0.001	3.562
CHELPG
AIM
ESP

	x	y	z
x	6.315	0.228	-0.000
y	0.228	5.005	-0.000
z	-0.000	-0.000	1.567

<r²>	141.707
(<r²>)^1/2	11.904

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

using model chemistry: B1B95/STO-3G

States and conformations

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