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	hartrees
Energy at 0K	-263.738546
Energy at 298.15K	-263.746828
Nuclear repulsion energy	225.722670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3940	3558	80.86
2	A	3499	3159	5.22
3	A	3473	3135	2.71
4	A	3318	2996	5.30
5	A	3245	2930	26.84
6	A	3192	2882	31.71
7	A	1767	1596	69.64
8	A	1675	1513	7.06
9	A	1647	1487	1.76
10	A	1644	1484	10.79
11	A	1587	1433	0.76
12	A	1576	1423	43.49
13	A	1510	1364	1.48
14	A	1406	1269	23.21
15	A	1266	1143	8.55
16	A	1222	1103	5.99
17	A	1201	1084	5.97
18	A	1194	1078	28.30
19	A	1111	1003	14.37
20	A	1072	968	7.19
21	A	1043	942	3.76
22	A	1030	930	2.11
23	A	881	796	43.50
24	A	768	694	49.80
25	A	729	658	2.13
26	A	728	657	133.98
27	A	701	633	28.81
28	A	376	340	6.79
29	A	287	259	8.63
30	A	103	93	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	2.110	-0.027	-0.000
H2	2.495	0.481	0.878
H3	2.484	-1.039	-0.001
H4	2.495	0.482	-0.877
N5	-0.165	1.047	0.000
H6	0.150	1.986	-0.001
C7	0.624	-0.068	-0.000
N8	-0.115	-1.145	0.000
C9	-1.436	-0.722	-0.000
H10	-2.241	-1.419	-0.000
C11	-1.485	0.630	-0.000
H12	-2.301	1.313	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0849	1.0791	1.0849	2.5166	2.8098	1.4871	2.4901	3.6143	4.5683	3.6547	4.6107
H2	1.0849		1.7558	1.7553	2.8584	2.9219	2.1388	3.1978	4.2045	5.1779	4.0784	4.9467
H3	1.0791	1.7558		1.7558	3.3726	3.8209	2.0985	2.6011	3.9334	4.7400	4.3057	5.3324
H4	1.0849	1.7553	1.7558		2.8582	2.9210	2.1389	3.1982	4.2046	5.1782	4.0783	4.9465
N5	2.5166	2.8584	3.3726	2.8582		0.9896	1.3665	2.1925	2.1790	3.2236	1.3837	2.1524
H6	2.8098	2.9219	3.8209	2.9210	0.9896		2.1078	3.1413	3.1383	4.1601	2.1231	2.5414
C7	1.4871	2.1388	2.0985	2.1389	1.3665	2.1078		1.3055	2.1617	3.1671	2.2212	3.2349
N8	2.4901	3.1978	2.6011	3.1982	2.1925	3.1413	1.3055		1.3874	2.1434	2.2420	3.2895
C9	3.6143	4.2045	3.9334	4.2046	2.1790	3.1383	2.1617	1.3874		1.0641	1.3536	2.2117
H10	4.5683	5.1779	4.7400	5.1782	3.2236	4.1601	3.1671	2.1434	1.0641		2.1846	2.7332
C11	3.6547	4.0784	4.3057	4.0783	1.3837	2.1231	2.2212	2.2420	1.3536	2.1846		1.0644
H12	4.6107	4.9467	5.3324	4.9465	2.1524	2.5414	3.2349	3.2895	2.2117	2.7332	1.0644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.693	C1	C7	N8	126.046
H2	C1	H3	108.467	H2	C1	H4	107.989
H2	C1	C7	111.571	H3	C1	H4	108.465
H3	C1	C7	108.683	H4	C1	C7	111.574
N5	C7	N8	110.261	N5	C11	C9	105.500
N5	C11	H12	122.554	H6	N5	C7	126.162
H6	N5	C11	126.101	C7	N5	C11	107.736
C7	N8	C9	106.746	N8	C9	H10	121.371
N8	C9	C11	109.757	C9	C11	H12	131.946
H10	C9	C11	128.872

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

using model chemistry: HF/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	CHELPG
1	C	-0.479	-0.278
2	H	0.174	0.068
3	H	0.214	0.109
4	H	0.174	0.068
5	N	-0.917	-0.326
6	H	0.387	0.314
7	C	0.547	0.571
8	N	-0.557	-0.719
9	C	-0.079	0.243
10	H	0.212	0.071
11	C	0.091	-0.321
12	H	0.232	0.199

	x	y	z	Total
	0.423	3.945	-0.002	3.968
CHELPG	0.359	3.881	-0.001	3.897
AIM
ESP

	x	y	z
x	8.694	0.201	0.000
y	0.201	7.552	-0.000
z	0.000	-0.000	3.701

<r²>	138.656
(<r²>)^1/2	11.775

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

using model chemistry: HF/6-31G

States and conformations

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