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	hartrees
Energy at 0K	-262.059179
Energy at 298.15K	-262.066243
Nuclear repulsion energy	217.044550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3596	3327	19.05
2	A	3414	3159	8.54
3	A	3384	3131	9.33
4	A	3381	3128	0.80
5	A	3335	3086	1.39
6	A	3197	2958	2.80
7	A	1629	1507	3.56
8	A	1618	1497	6.18
9	A	1572	1454	21.09
10	A	1515	1402	2.02
11	A	1510	1397	7.19
12	A	1436	1328	8.87
13	A	1388	1284	3.42
14	A	1257	1163	22.38
15	A	1143	1057	1.77
16	A	1105	1022	3.27
17	A	1102	1019	6.39
18	A	1084	1003	3.40
19	A	1005	930	1.21
20	A	943	873	2.52
21	A	896	829	1.18
22	A	840	777	3.00
23	A	717	664	20.30
24	A	655	606	1.56
25	A	617	571	1.94
26	A	606	561	11.07
27	A	410	380	65.10
28	A	322	298	2.90
29	A	235	217	3.84
30	A	99	92	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	2.181	-0.013	-0.000
H2	2.565	0.513	0.901
H3	2.577	-1.048	-0.001
H4	2.565	0.514	-0.900
N5	-0.174	1.091	0.000
H6	0.154	2.094	0.000
C7	0.645	-0.080	-0.000
N8	-0.119	-1.237	0.000
C9	-1.480	-0.733	-0.000
H10	-2.331	-1.435	-0.000
C11	-1.533	0.659	-0.000
H12	-2.362	1.384	-0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.1118	1.1077	1.1118	2.6004	2.9242	1.5371	2.6047	3.7306	4.7302	3.7742	4.7532
H2	1.1118		1.8025	1.8011	2.9401	3.0209	2.2018	3.3278	4.3270	5.3453	4.1983	5.0842
H3	1.1077	1.8025		1.8025	3.4841	3.9680	2.1608	2.7023	4.0688	4.9230	4.4503	5.5056
H4	1.1118	1.8011	1.8025		2.9397	3.0200	2.2018	3.3283	4.3271	5.3456	4.1981	5.0837
N5	2.6004	2.9401	3.4841	2.9397		1.0554	1.4284	2.3282	2.2435	3.3214	1.4265	2.2084
H6	2.9242	3.0209	3.9680	3.0200	1.0554		2.2287	3.3421	3.2653	4.3157	2.2148	2.6143
C7	1.5371	2.2018	2.1608	2.2018	1.4284	2.2287		1.3865	2.2231	3.2699	2.3000	3.3448
N8	2.6047	3.3278	2.7023	3.3283	2.3282	3.3421	1.3865		1.4511	2.2209	2.3651	3.4501
C9	3.7306	4.3270	4.0688	4.3271	2.2435	3.2653	2.2231	1.4511		1.1029	1.3932	2.2941
H10	4.7302	5.3453	4.9230	5.3456	3.3214	4.3157	3.2699	2.2209	1.1029		2.2403	2.8190
C11	3.7742	4.1983	4.4503	4.1981	1.4265	2.2148	2.3000	2.3651	1.3932	2.2403		1.1017
H12	4.7532	5.0842	5.5056	5.0837	2.2084	2.6143	3.3448	3.4501	2.2941	2.8190	1.1017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	122.500	C1	C7	N8	125.903
H2	C1	H3	108.605	H2	C1	H4	108.188
H2	C1	C7	111.441	H3	C1	H4	108.606
H3	C1	C7	108.484	H4	C1	C7	111.442
N5	C7	N8	111.597	N5	C11	C9	105.429
N5	C11	H12	121.200	H6	N5	C7	126.968
H6	N5	C11	125.687	C7	N5	C11	107.346
C7	N8	C9	103.128	N8	C9	H10	120.208
N8	C9	C11	112.500	C9	C11	H12	133.371
H10	C9	C11	127.292

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

using model chemistry: BLYP/STO-3G

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	-0.222
2	H	0.083
3	H	0.101
4	H	0.083
5	N	-0.252
6	H	0.219
7	C	0.136
8	N	-0.238
9	C	-0.046
10	H	0.080
11	C	-0.030
12	H	0.087

	x	y	z	Total
	0.526	3.408	0.000	3.448
CHELPG
AIM
ESP

<r²>	145.779
(<r²>)^1/2	12.074

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

using model chemistry: BLYP/STO-3G

States and conformations

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