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	hartrees
Energy at 0K	-45.876283
Energy at 298.15K	-45.884162
Nuclear repulsion energy	116.293712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3559	47.13
2	A	3316	3175	7.27
3	A	3290	3150	2.98
4	A	3205	3069	11.41
5	A	3147	3013	37.11
6	A	3070	2940	39.66
7	A	1598	1530	50.02
8	A	1532	1467	5.85
9	A	1500	1437	2.64
10	A	1495	1432	17.86
11	A	1433	1372	3.55
12	A	1420	1360	38.91
13	A	1388	1329	1.26
14	A	1298	1243	24.60
15	A	1194	1144	5.52
16	A	1128	1080	21.61
17	A	1116	1069	17.35
18	A	1071	1025	4.80
19	A	999	957	8.78
20	A	968	927	2.98
21	A	915	876	3.38
22	A	904	866	9.29
23	A	777	744	73.25
24	A	693	664	1.47
25	A	680	651	142.27
26	A	679	650	1.46
27	A	632	606	0.61
28	A	340	325	6.07
29	A	260	249	8.24
30	A	91	87	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.143	-0.023	0.000
H2	2.539	0.487	0.894
H3	2.515	-1.056	-0.001
H4	2.539	0.489	-0.893
N5	-0.170	1.069	0.000
H6	0.150	2.030	-0.000
C7	0.634	-0.069	-0.000
N8	-0.121	-1.179	-0.000
C9	-1.453	-0.743	0.000
H10	-2.277	-1.448	0.000
C11	-1.506	0.654	-0.000
H12	-2.336	1.352	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1030	1.0977	1.1030	2.5572	2.8614	1.5091	2.5418	3.6669	4.6433	3.7112	4.6849
H2	1.1030		1.7840	1.7864	2.9108	2.9810	2.1762	3.2638	4.2717	5.2664	4.1460	5.0309
H3	1.0977	1.7840		1.7840	3.4238	3.8881	2.1243	2.6391	3.9803	4.8078	4.3699	5.4157
H4	1.1030	1.7864	1.7840		2.9102	2.9798	2.1762	3.2644	4.2721	5.2669	4.1458	5.0305
N5	2.5572	2.9108	3.4238	2.9102		1.0126	1.3929	2.2489	2.2206	3.2828	1.3995	2.1848
H6	2.8614	2.9810	3.8881	2.9798	1.0126		2.1537	3.2207	3.2029	4.2409	2.1528	2.5765
C7	1.5091	2.1762	2.1243	2.1762	1.3929	2.1537		1.3432	2.1934	3.2212	2.2592	3.2923
N8	2.5418	3.2638	2.6391	3.2644	2.2489	3.2207	1.3432		1.4014	2.1723	2.2980	3.3634
C9	3.6669	4.2717	3.9803	4.2721	2.2206	3.2029	2.1934	1.4014		1.0843	1.3986	2.2735
H10	4.6433	5.2664	4.8078	5.2669	3.2828	4.2409	3.2212	2.1723	1.0843		2.2393	2.8007
C11	3.7112	4.1460	4.3699	4.1458	1.3995	2.1528	2.2592	2.2980	1.3986	2.2393		1.0839
H12	4.6849	5.0309	5.4157	5.0305	2.1848	2.5765	3.2923	3.3634	2.2735	2.8007	1.0839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.521	C1	C7	N8	125.935
H2	C1	H3	108.321	H2	C1	H4	108.150
H2	C1	C7	111.904	H3	C1	H4	108.323
H3	C1	C7	108.119	H4	C1	C7	111.906
N5	C7	N8	110.544	N5	C11	C9	105.050
N5	C11	H12	122.714	H6	N5	C7	126.380
H6	N5	C11	125.613	C7	N5	C11	108.007
C7	N8	C9	106.084	N8	C9	H10	121.307
N8	C9	C11	110.316	C9	C11	H12	132.237
H10	C9	C11	128.377

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

using model chemistry: B1B95/CEP-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	-0.316
2	H	0.140
3	H	0.185
4	H	0.140
5	N	-0.060
6	H	0.335
7	C	-0.633
8	N	0.229
9	C	-0.317
10	H	0.296
11	C	-0.298
12	H	0.298

	x	y	z	Total
	0.471	4.110	-0.000	4.137
CHELPG
AIM
ESP

	x	y	z
x	9.588	0.108	0.000
y	0.108	8.114	-0.000
z	0.000	-0.000	4.401

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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