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	hartrees
Energy at 0K	-265.450057
Energy at 298.15K	-265.457812
HF Energy	-265.450057
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3709	3518	49.82
2	A	3328	3156	3.73
3	A	3296	3126	7.81
4	A	3197	3032	3.98
5	A	3137	2975	19.23
6	A	3075	2917	28.74
7	A	1642	1557	42.36
8	A	1562	1481	5.25
9	A	1539	1460	3.62
10	A	1518	1440	9.20
11	A	1487	1410	45.06
12	A	1452	1377	0.32
13	A	1427	1354	1.00
14	A	1303	1236	14.78
15	A	1216	1153	3.40
16	A	1157	1097	4.14
17	A	1127	1069	28.74
18	A	1083	1027	2.15
19	A	1023	971	8.12
20	A	985	935	1.56
21	A	937	889	2.93
22	A	882	837	8.88
23	A	747	709	42.14
24	A	700	663	3.28
25	A	688	652	1.26
26	A	651	617	14.69
27	A	523	496	85.49
28	A	349	331	5.30
29	A	254	241	6.40
30	A	64	60	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	2.108	-0.022	0.000
H2	2.499	0.489	0.887
H3	2.485	-1.046	-0.001
H4	2.499	0.491	-0.886
N5	-0.167	1.047	-0.000
H6	0.158	2.000	-0.001
C7	0.617	-0.070	-0.000
N8	-0.120	-1.158	-0.000
C9	-1.424	-0.725	-0.000
H10	-2.247	-1.425	-0.000
C11	-1.482	0.639	0.000
H12	-2.302	1.339	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0959	1.0912	1.0959	2.5143	2.8095	1.4921	2.5013	3.6013	4.5757	3.6505	4.6159
H2	1.0959		1.7738	1.7733	2.8651	2.9246	2.1545	3.2188	4.2011	5.1938	4.0813	4.9560
H3	1.0912	1.7738		1.7738	3.3787	3.8334	2.1077	2.6070	3.9217	4.7467	4.3098	5.3485
H4	1.0959	1.7733	1.7738		2.8645	2.9230	2.1545	3.2194	4.2014	5.1943	4.0811	4.9557
N5	2.5143	2.8651	3.3787	2.8645		1.0072	1.3645	2.2057	2.1718	3.2303	1.3761	2.1547
H6	2.8095	2.9246	3.8334	2.9230	1.0072		2.1200	3.1706	3.1505	4.1850	2.1307	2.5470
C7	1.4921	2.1545	2.1077	2.1545	1.3645	2.1200		1.3147	2.1433	3.1685	2.2153	3.2415
N8	2.5013	3.2188	2.6070	3.2194	2.2057	3.1706	1.3147		1.3741	2.1436	2.2552	3.3169
C9	3.6013	4.2011	3.9217	4.2014	2.1718	3.1505	2.1433	1.3741		1.0808	1.3652	2.2435
H10	4.5757	5.1938	4.7467	5.1943	3.2303	4.1850	3.1685	2.1436	1.0808		2.2016	2.7654
C11	3.6505	4.0813	4.3098	4.0811	1.3761	2.1307	2.2153	2.2552	1.3652	2.2016		1.0787
H12	4.6159	4.9560	5.3485	4.9557	2.1547	2.5470	3.2415	3.3169	2.2435	2.7654	1.0787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.264	C1	C7	N8	125.922
H2	C1	H3	108.391	H2	C1	H4	108.013
H2	C1	C7	111.796	H3	C1	H4	108.391
H3	C1	C7	108.346	H4	C1	C7	111.797
N5	C7	N8	110.814	N5	C11	C9	104.794
N5	C11	H12	122.281	H6	N5	C7	126.068
H6	N5	C11	126.070	C7	N5	C11	107.862
C7	N8	C9	105.696	N8	C9	H10	121.204
N8	C9	C11	110.832	C9	C11	H12	132.924
H10	C9	C11	127.964

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

using model chemistry: wB97X-D/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	-0.583
2	H	0.181
3	H	0.216
4	H	0.181
5	N	-0.623
6	H	0.355
7	C	0.476
8	N	-0.472
9	C	-0.069
10	H	0.167
11	C	-0.014
12	H	0.185

	x	y	z	Total
	0.505	3.647	-0.000	3.681
CHELPG
AIM
ESP

	x	y	z
x	9.593	0.137	0.000
y	0.137	7.842	-0.000
z	0.000	-0.000	4.045

<r²>	138.270
(<r²>)^1/2	11.759

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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