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	hartrees
Energy at 0K	-263.950833
Energy at 298.15K	-263.958924
Nuclear repulsion energy	227.391639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3913	3555	80.37
2	A	3426	3112	3.18
3	A	3396	3085	5.37
4	A	3277	2977	7.42
5	A	3210	2916	23.72
6	A	3164	2875	30.02
7	A	1759	1598	59.77
8	A	1657	1506	14.32
9	A	1623	1475	12.83
10	A	1603	1457	6.84
11	A	1574	1431	46.00
12	A	1541	1400	1.38
13	A	1496	1359	3.21
14	A	1374	1249	15.24
15	A	1247	1133	15.38
16	A	1230	1118	0.93
17	A	1167	1060	29.88
18	A	1162	1056	0.88
19	A	1093	993	10.17
20	A	1049	954	5.88
21	A	1001	910	1.54
22	A	1000	909	4.93
23	A	835	759	67.01
24	A	756	687	10.21
25	A	718	652	1.21
26	A	690	627	7.03
27	A	537	488	84.16
28	A	375	341	5.87
29	A	281	255	9.32
30	A	78	71	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	2.098	-0.026	0.000
H2	2.473	0.487	0.878
H3	2.477	-1.036	-0.001
H4	2.473	0.489	-0.877
N5	-0.162	1.038	0.000
H6	0.162	1.973	-0.001
C7	0.606	-0.072	-0.000
N8	-0.115	-1.139	0.000
C9	-1.419	-0.715	0.000
H10	-2.233	-1.407	0.000
C11	-1.472	0.628	-0.000
H12	-2.289	1.314	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0842	1.0786	1.0842	2.4975	2.7824	1.4922	2.4765	3.5839	4.5453	3.6291	4.5865
H2	1.0842		1.7581	1.7551	2.8319	2.8850	2.1379	3.1802	4.1678	5.1485	4.0447	4.9127
H3	1.0786	1.7581		1.7581	3.3563	3.7962	2.1048	2.5939	3.9098	4.7246	4.2853	5.3137
H4	1.0842	1.7551	1.7581		2.8313	2.8830	2.1379	3.1810	4.1682	5.1491	4.0444	4.9123
N5	2.4975	2.8319	3.3563	2.8313		0.9896	1.3496	2.1779	2.1576	3.2044	1.3731	2.1449
H6	2.7824	2.8850	3.7962	2.8830	0.9896		2.0924	3.1248	3.1191	4.1429	2.1170	2.5384
C7	1.4922	2.1379	2.1048	2.1379	1.3496	2.0924		1.2881	2.1253	3.1373	2.1928	3.2094
N8	2.4765	3.1802	2.5939	3.1810	2.1779	3.1248	1.2881		1.3721	2.1350	2.2283	3.2780
C9	3.5839	4.1678	3.9098	4.1682	2.1576	3.1191	2.1253	1.3721		1.0679	1.3439	2.2073
H10	4.5453	5.1485	4.7246	5.1491	3.2044	4.1429	3.1373	2.1350	1.0679		2.1724	2.7215
C11	3.6291	4.0447	4.2853	4.0444	1.3731	2.1170	2.1928	2.2283	1.3439	2.1724		1.0666
H12	4.5865	4.9127	5.3137	4.9123	2.1449	2.5384	3.2094	3.2780	2.2073	2.7215	1.0666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.925	C1	C7	N8	125.774
H2	C1	H3	108.760	H2	C1	H4	108.076
H2	C1	C7	111.164	H3	C1	H4	108.760
H3	C1	C7	108.854	H4	C1	C7	111.168
N5	C7	N8	111.301	N5	C11	C9	105.142
N5	C11	H12	122.581	H6	N5	C7	126.199
H6	N5	C11	126.512	C7	N5	C11	107.290
C7	N8	C9	106.011	N8	C9	H10	121.594
N8	C9	C11	110.257	C9	C11	H12	132.277
H10	C9	C11	128.149

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.208
2	H	0.137
3	H	0.148
4	H	0.137
5	N	-1.045
6	H	0.161
7	C	0.956
8	N	-1.181
9	C	0.325
10	H	0.148
11	C	0.261
12	H	0.161

	x	y	z	Total
	0.703	3.626	-0.002	3.693
CHELPG
AIM
ESP

	x	y	z
x	10.295	0.028	0.000
y	0.028	8.836	-0.000
z	0.000	-0.000	6.166

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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