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	hartrees
Energy at 0K	-260.734730
Energy at 298.15K	-260.742063
Nuclear repulsion energy	220.626386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3715	3327	42.72
2	A	3505	3139	23.73
3	A	3473	3110	2.53
4	A	3473	3110	21.15
5	A	3431	3073	0.30
6	A	3285	2942	0.18
7	A	1634	1463	26.45
8	A	1627	1457	10.99
9	A	1618	1449	11.05
10	A	1586	1420	4.48
11	A	1513	1355	0.06
12	A	1486	1330	13.80
13	A	1465	1312	1.74
14	A	1306	1169	25.36
15	A	1192	1068	0.35
16	A	1155	1035	7.99
17	A	1115	999	7.86
18	A	1114	998	9.16
19	A	1029	921	1.21
20	A	980	878	3.54
21	A	920	824	1.41
22	A	884	792	2.24
23	A	752	673	23.08
24	A	687	616	1.21
25	A	655	586	1.02
26	A	638	571	15.40
27	A	520	466	72.69
28	A	328	293	3.71
29	A	248	222	3.77
30	A	103	92	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	2.140	-0.016	-0.000
H2	2.524	0.503	0.895
H3	2.525	-1.046	-0.001
H4	2.524	0.505	-0.894
N5	-0.168	1.072	0.000
H6	0.163	2.066	-0.001
C7	0.636	-0.078	-0.000
N8	-0.121	-1.213	0.000
C9	-1.453	-0.725	0.000
H10	-2.301	-1.419	0.000
C11	-1.504	0.653	-0.000
H12	-2.330	1.370	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1035	1.1000	1.1035	2.5512	2.8710	1.5050	2.5575	3.6615	4.6568	3.7041	4.6799
H2	1.1035		1.7893	1.7886	2.8934	2.9701	2.1689	3.2771	4.2572	5.2703	4.1287	5.0119
H3	1.1000	1.7893		1.7893	3.4265	3.9073	2.1230	2.6510	3.9908	4.8405	4.3725	5.4236
H4	1.1035	1.7886	1.7893		2.8929	2.9686	2.1689	3.2777	4.2575	5.2708	4.1284	5.0115
N5	2.5512	2.8934	3.4265	2.8929		1.0473	1.4032	2.2858	2.2095	3.2800	1.4000	2.1829
H6	2.8710	2.9701	3.9073	2.9686	1.0473		2.1955	3.2913	3.2250	4.2682	2.1848	2.5883
C7	1.5050	2.1689	2.1230	2.1689	1.4032	2.1955		1.3640	2.1865	3.2285	2.2609	3.3008
N8	2.5575	3.2771	2.6510	3.2777	2.2858	3.2913	1.3640		1.4186	2.1900	2.3227	3.3995
C9	3.6615	4.2572	3.9908	4.2575	2.2095	3.2250	2.1865	1.4186		1.0960	1.3792	2.2719
H10	4.6568	5.2703	4.8405	5.2708	3.2800	4.2682	3.2285	2.1900	1.0960		2.2205	2.7898
C11	3.7041	4.1287	4.3725	4.1284	1.4000	2.1848	2.2609	2.3227	1.3792	2.2205		1.0945
H12	4.6799	5.0119	5.4236	5.0115	2.1829	2.5883	3.3008	3.3995	2.2719	2.7898	1.0945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.584	C1	C7	N8	126.035
H2	C1	H3	108.590	H2	C1	H4	108.268
H2	C1	C7	111.570	H3	C1	H4	108.592
H3	C1	C7	108.168	H4	C1	C7	111.571
N5	C7	N8	111.381	N5	C11	C9	105.309
N5	C11	H12	121.629	H6	N5	C7	126.655
H6	N5	C11	125.830	C7	N5	C11	107.515
C7	N8	C9	103.566	N8	C9	H10	120.593
N8	C9	C11	112.230	C9	C11	H12	133.062
H10	C9	C11	127.177

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

using model chemistry: LSDA/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	-0.289
2	H	0.106
3	H	0.125
4	H	0.106
5	N	-0.251
6	H	0.241
7	C	0.125
8	N	-0.242
9	C	-0.072
10	H	0.103
11	C	-0.060
12	H	0.110

	x	y	z	Total
	0.579	3.592	-0.001	3.639
CHELPG
AIM
ESP

	x	y	z
x	6.385	0.208	0.000
y	0.208	4.966	-0.000
z	0.000	-0.000	1.561

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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