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	hartrees
Energy at 0K	-265.450534
Energy at 298.15K	-265.458293
Nuclear repulsion energy	225.097443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3537	45.32
2	A	3300	3162	2.93
3	A	3267	3131	7.12
4	A	3178	3046	3.41
5	A	3110	2981	18.43
6	A	3050	2923	31.83
7	A	1617	1549	38.16
8	A	1541	1476	5.32
9	A	1510	1447	4.08
10	A	1491	1429	8.21
11	A	1458	1397	40.24
12	A	1428	1369	0.17
13	A	1404	1346	1.16
14	A	1288	1234	15.01
15	A	1206	1156	2.88
16	A	1145	1097	3.83
17	A	1114	1068	27.43
18	A	1059	1015	2.15
19	A	1010	968	8.47
20	A	970	930	0.99
21	A	926	888	3.05
22	A	859	823	9.31
23	A	728	698	37.75
24	A	691	662	4.11
25	A	683	655	1.20
26	A	645	618	15.81
27	A	527	505	76.23
28	A	347	332	5.41
29	A	252	242	5.92
30	A	81	78	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	2.108	-0.022	0.000
H2	2.504	0.487	0.887
H3	2.481	-1.047	-0.002
H4	2.504	0.490	-0.884
N5	-0.168	1.050	0.000
H6	0.153	2.005	-0.002
C7	0.618	-0.068	-0.000
N8	-0.119	-1.160	-0.000
C9	-1.423	-0.729	-0.000
H10	-2.248	-1.428	0.000
C11	-1.483	0.639	0.000
H12	-2.306	1.338	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0962	1.0906	1.0962	2.5164	2.8158	1.4903	2.5002	3.6011	4.5770	3.6514	4.6184
H2	1.0962		1.7726	1.7711	2.8712	2.9355	2.1561	3.2207	4.2052	5.1990	4.0869	4.9639
H3	1.0906	1.7726		1.7726	3.3790	3.8380	2.1042	2.6019	3.9171	4.7440	4.3077	5.3479
H4	1.0962	1.7711	1.7726		2.8703	2.9324	2.1561	3.2220	4.2059	5.2002	4.0866	4.9632
N5	2.5164	2.8712	3.3790	2.8703		1.0073	1.3673	2.2104	2.1767	3.2351	1.3771	2.1564
H6	2.8158	2.9355	3.8380	2.9324	1.0073		2.1242	3.1761	3.1553	4.1893	2.1311	2.5477
C7	1.4903	2.1561	2.1042	2.1561	1.3673	2.1242		1.3171	2.1457	3.1725	2.2172	3.2445
N8	2.5002	3.2207	2.6019	3.2220	2.2104	3.1761	1.3171		1.3740	2.1461	2.2580	3.3200
C9	3.6011	4.2052	3.9171	4.2059	2.1767	3.1553	2.1457	1.3740		1.0814	1.3693	2.2472
H10	4.5770	5.1990	4.7440	5.2002	3.2351	4.1893	3.1725	2.1461	1.0814		2.2046	2.7671
C11	3.6514	4.0869	4.3077	4.0866	1.3771	2.1311	2.2172	2.2580	1.3693	2.2046		1.0793
H12	4.6184	4.9639	5.3479	4.9632	2.1564	2.5477	3.2445	3.3200	2.2472	2.7671	1.0793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.372	C1	C7	N8	125.782
H2	C1	H3	108.312	H2	C1	H4	107.773
H2	C1	C7	112.041	H3	C1	H4	108.312
H3	C1	C7	108.235	H4	C1	C7	112.045
N5	C7	N8	110.846	N5	C11	C9	104.851
N5	C11	H12	122.300	H6	N5	C7	126.229
H6	N5	C11	125.990	C7	N5	C11	107.781
C7	N8	C9	105.733	N8	C9	H10	121.398
N8	C9	C11	110.789	C9	C11	H12	132.848
H10	C9	C11	127.814

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

using model chemistry: B3PW91/6-31G**

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
1	C	-0.456
2	H	0.145
3	H	0.177
4	H	0.145
5	N	-0.549
6	H	0.284
7	C	0.457
8	N	-0.484
9	C	-0.012
10	H	0.119
11	C	0.036
12	H	0.136

	x	y	z	Total
	0.519	3.581	-0.002	3.618
CHELPG
AIM
ESP

<r²>	138.409
(<r²>)^1/2	11.765

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

using model chemistry: B3PW91/6-31G**

States and conformations

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