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	hartrees
Energy at 0K	-265.420227
Energy at 298.15K	-265.428007
Nuclear repulsion energy	225.799333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3692	3505	45.58
2	A	3325	3157	3.63
3	A	3292	3125	7.72
4	A	3200	3038	3.38
5	A	3134	2975	18.04
6	A	3074	2918	29.86
7	A	1638	1555	39.05
8	A	1562	1483	5.88
9	A	1531	1453	3.53
10	A	1513	1437	8.44
11	A	1479	1404	42.76
12	A	1449	1375	0.25
13	A	1423	1351	1.29
14	A	1302	1236	14.62
15	A	1219	1158	2.49
16	A	1155	1097	4.76
17	A	1126	1069	26.76
18	A	1072	1018	2.13
19	A	1018	967	8.13
20	A	980	930	1.00
21	A	926	879	3.09
22	A	864	820	9.82
23	A	733	696	37.73
24	A	695	660	3.63
25	A	687	652	1.34
26	A	648	615	17.27
27	A	529	502	78.48
28	A	346	328	5.13
29	A	254	241	5.96
30	A	89	84	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	2.101	-0.022	0.000
H2	2.496	0.487	0.885
H3	2.475	-1.045	-0.001
H4	2.496	0.489	-0.884
N5	-0.168	1.046	0.000
H6	0.155	1.999	-0.001
C7	0.616	-0.069	-0.000
N8	-0.119	-1.156	-0.000
C9	-1.419	-0.725	-0.000
H10	-2.241	-1.425	0.000
C11	-1.478	0.638	0.000
H12	-2.297	1.337	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0943	1.0889	1.0943	2.5079	2.8062	1.4867	2.4937	3.5899	4.5636	3.6394	4.6041
H2	1.0943		1.7695	1.7682	2.8620	2.9244	2.1515	3.2131	4.1929	5.1846	4.0738	4.9481
H3	1.0889	1.7695		1.7695	3.3700	3.8276	2.1002	2.5970	3.9074	4.7318	4.2962	5.3342
H4	1.0943	1.7682	1.7695		2.8614	2.9227	2.1515	3.2137	4.1932	5.1852	4.0736	4.9477
N5	2.5079	2.8620	3.3700	2.8614		1.0066	1.3627	2.2030	2.1686	3.2256	1.3720	2.1496
H6	2.8062	2.9244	3.8276	2.9227	1.0066		2.1192	3.1678	3.1467	4.1795	2.1259	2.5404
C7	1.4867	2.1515	2.1002	2.1515	1.3627	2.1192		1.3123	2.1376	3.1621	2.2093	3.2346
N8	2.4937	3.2131	2.5970	3.2137	2.2030	3.1678	1.3123		1.3694	2.1388	2.2505	3.3110
C9	3.5899	4.1929	3.9074	4.1932	2.1686	3.1467	2.1376	1.3694		1.0796	1.3644	2.2417
H10	4.5636	5.1846	4.7318	5.1852	3.2256	4.1795	3.1621	2.1388	1.0796		2.1996	2.7627
C11	3.6394	4.0738	4.2962	4.0736	1.3720	2.1259	2.2093	2.2505	1.3644	2.1996		1.0775
H12	4.6041	4.9481	5.3342	4.9477	2.1496	2.5404	3.2346	3.3110	2.2417	2.7627	1.0775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.267	C1	C7	N8	125.862
H2	C1	H3	108.286	H2	C1	H4	107.788
H2	C1	C7	112.042	H3	C1	H4	108.287
H3	C1	C7	108.268	H4	C1	C7	112.045
N5	C7	N8	110.871	N5	C11	C9	104.840
N5	C11	H12	122.235	H6	N5	C7	126.214
H6	N5	C11	126.007	C7	N5	C11	107.778
C7	N8	C9	105.691	N8	C9	H10	121.246
N8	C9	C11	110.820	C9	C11	H12	132.925
H10	C9	C11	127.934

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

using model chemistry: B1B95/6-31G*

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	-0.568
2	H	0.178
3	H	0.211
4	H	0.178
5	N	-0.625
6	H	0.348
7	C	0.474
8	N	-0.471
9	C	-0.060
10	H	0.156
11	C	0.007
12	H	0.172

	x	y	z	Total
	0.498	3.588	-0.001	3.622
CHELPG
AIM
ESP

	x	y	z
x	9.705	0.130	0.000
y	0.130	7.840	-0.000
z	0.000	-0.000	4.035

<r²>	137.690
(<r²>)^1/2	11.734

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

using model chemistry: B1B95/6-31G*

States and conformations

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