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	hartrees
Energy at 0K	-264.111705
Energy at 298.15K	-264.119428
Nuclear repulsion energy	225.268185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3544	3504	43.60
2	A	3214	3178	0.26
3	A	3182	3146	2.94
4	A	3097	3062	0.43
5	A	3037	3003	7.38
6	A	2970	2936	23.91
7	A	1585	1567	41.74
8	A	1500	1483	2.02
9	A	1457	1440	13.95
10	A	1394	1378	0.92
11	A	1382	1367	9.35
12	A	1368	1353	28.16
13	A	1326	1311	1.53
14	A	1260	1246	12.86
15	A	1182	1169	2.94
16	A	1105	1093	10.44
17	A	1072	1060	26.22
18	A	998	986	1.92
19	A	974	963	6.92
20	A	925	914	0.74
21	A	904	894	3.16
22	A	832	823	8.85
23	A	704	696	46.54
24	A	683	675	0.84
25	A	682	674	9.99
26	A	636	629	12.34
27	A	574	567	65.38
28	A	337	334	5.75
29	A	248	245	5.87
30	A	82	81	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	2.097	-0.025	0.000
H2	2.502	0.486	0.896
H3	2.466	-1.065	-0.001
H4	2.503	0.488	-0.895
N5	-0.165	1.046	-0.000
H6	0.162	2.012	-0.001
C7	0.624	-0.067	-0.000
N8	-0.123	-1.156	-0.000
C9	-1.421	-0.730	0.000
H10	-2.258	-1.436	0.000
C11	-1.475	0.643	0.000
H12	-2.307	1.353	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1086	1.1035	1.1086	2.5034	2.8102	1.4742	2.4909	3.5884	4.5783	3.6346	4.6147
H2	1.1086		1.7925	1.7913	2.8695	2.9346	2.1538	3.2232	4.2045	5.2117	4.0805	4.9683
H3	1.1035	1.7925		1.7925	3.3742	3.8448	2.0961	2.5906	3.9022	4.7393	4.2963	5.3509
H4	1.1086	1.7913	1.7925		2.8688	2.9328	2.1538	3.2239	4.2050	5.2124	4.0804	4.9679
N5	2.5034	2.8695	3.3742	2.8688		1.0201	1.3641	2.2024	2.1757	3.2470	1.3707	2.1635
H6	2.8102	2.9346	3.8448	2.9328	1.0201		2.1296	3.1808	3.1669	4.2132	2.1344	2.5556
C7	1.4742	2.1538	2.0961	2.1538	1.3641	2.1296		1.3201	2.1499	3.1908	2.2158	3.2561
N8	2.4909	3.2232	2.5906	3.2239	2.2024	3.1808	1.3201		1.3667	2.1541	2.2509	3.3262
C9	3.5884	4.2045	3.9022	4.2050	2.1757	3.1669	2.1499	1.3667		1.0949	1.3747	2.2635
H10	4.5783	5.2117	4.7393	5.2124	3.2470	4.2132	3.1908	2.1541	1.0949		2.2220	2.7893
C11	3.6346	4.0805	4.2963	4.0804	1.3707	2.1344	2.2158	2.2509	1.3747	2.2220		1.0930
H12	4.6147	4.9683	5.3509	4.9679	2.1635	2.5556	3.2561	3.3262	2.2635	2.7893	1.0930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.729	C1	C7	N8	126.017
H2	C1	H3	108.250	H2	C1	H4	107.791
H2	C1	C7	112.230	H3	C1	H4	108.251
H3	C1	C7	107.949	H4	C1	C7	112.233
N5	C7	N8	110.254	N5	C11	C9	104.841
N5	C11	H12	122.437	H6	N5	C7	125.951
H6	N5	C11	125.813	C7	N5	C11	108.236
C7	N8	C9	106.279	N8	C9	H10	121.721
N8	C9	C11	110.390	C9	C11	H12	132.722
H10	C9	C11	127.890

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

using model chemistry: LSDA/aug-cc-pVDZ

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	0.712
2	H	-0.117
3	H	-0.180
4	H	-0.117
5	N	0.019
6	H	-0.142
7	C	-0.340
8	N	-0.167
9	C	0.402
10	H	-0.394
11	C	0.734
12	H	-0.410

	x	y	z	Total
	0.620	3.578	-0.001	3.632
CHELPG
AIM
ESP

	x	y	z
x	12.276	-0.068	0.004
y	-0.068	10.023	0.000
z	0.004	0.000	6.671

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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