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	hartrees
Energy at 0K	-265.455574
Energy at 298.15K	-265.463116
HF Energy	-265.455574
Nuclear repulsion energy	224.145795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3588	3537	29.12
2	A	3222	3175	4.55
3	A	3192	3146	6.33
4	A	3096	3051	5.43
5	A	3023	2979	22.35
6	A	2975	2932	41.58
7	A	1549	1527	36.47
8	A	1483	1461	1.87
9	A	1462	1441	4.71
10	A	1457	1436	8.36
11	A	1395	1375	35.18
12	A	1387	1367	2.06
13	A	1346	1326	1.47
14	A	1245	1227	17.42
15	A	1152	1135	6.44
16	A	1111	1095	2.49
17	A	1074	1058	22.81
18	A	1036	1021	0.54
19	A	986	971	10.78
20	A	944	930	3.43
21	A	919	906	2.45
22	A	811	799	13.62
23	A	690	680	38.76
24	A	673	663	0.67
25	A	660	651	11.39
26	A	623	614	15.73
27	A	480	473	60.71
28	A	343	338	5.01
29	A	232	229	5.39
30	A	44	44	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	2.117	-0.024	0.000
H2	2.509	0.490	0.888
H3	2.495	-1.048	-0.001
H4	2.509	0.491	-0.887
N5	-0.167	1.054	-0.000
H6	0.154	2.011	-0.001
C7	0.626	-0.071	-0.000
N8	-0.121	-1.163	-0.000
C9	-1.434	-0.730	-0.000
H10	-2.257	-1.432	-0.000
C11	-1.490	0.643	0.000
H12	-2.310	1.346	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0979	1.0918	1.0979	2.5248	2.8272	1.4912	2.5111	3.6202	4.5951	3.6678	4.6337
H2	1.0979		1.7761	1.7746	2.8746	2.9408	2.1555	3.2303	4.2213	5.2149	4.0989	4.9738
H3	1.0918	1.7761		1.7761	3.3914	3.8520	2.1086	2.6186	3.9416	4.7677	4.3288	5.3682
H4	1.0979	1.7746	1.7761		2.8740	2.9394	2.1555	3.2309	4.2216	5.2154	4.0988	4.9736
N5	2.5248	2.8746	3.3914	2.8740		1.0094	1.3763	2.2172	2.1883	3.2480	1.3859	2.1631
H6	2.8272	2.9408	3.8520	2.9394	1.0094		2.1350	3.1858	3.1678	4.2033	2.1390	2.5519
C7	1.4912	2.1555	2.1086	2.1555	1.3763	2.1350		1.3231	2.1630	3.1885	2.2334	3.2603
N8	2.5111	3.2303	2.6186	3.2309	2.2172	3.1858	1.3231		1.3822	2.1530	2.2658	3.3295
C9	3.6202	4.2213	3.9416	4.2216	2.1883	3.1678	2.1630	1.3822		1.0819	1.3739	2.2536
H10	4.5951	5.2149	4.7677	5.2154	3.2480	4.2033	3.1885	2.1530	1.0819		2.2118	2.7786
C11	3.6678	4.0989	4.3288	4.0988	1.3859	2.1390	2.2334	2.2658	1.3739	2.2118		1.0803
H12	4.6337	4.9738	5.3682	4.9736	2.1631	2.5519	3.2603	3.3295	2.2536	2.7786	1.0803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.356	C1	C7	N8	126.213
H2	C1	H3	108.404	H2	C1	H4	107.836
H2	C1	C7	111.820	H3	C1	H4	108.406
H3	C1	C7	108.447	H4	C1	C7	111.822
N5	C7	N8	110.430	N5	C11	C9	104.916
N5	C11	H12	122.097	H6	N5	C7	126.311
H6	N5	C11	125.775	C7	N5	C11	107.914
C7	N8	C9	106.150	N8	C9	H10	121.319
N8	C9	C11	110.590	C9	C11	H12	132.987
H10	C9	C11	128.091

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

using model chemistry: B97D3/TZVP

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	-0.445
2	H	0.123
3	H	0.151
4	H	0.123
5	N	-0.109
6	H	0.227
7	C	0.025
8	N	-0.082
9	C	-0.099
10	H	0.095
11	C	-0.108
12	H	0.099

	x	y	z	Total
	0.575	3.567	-0.000	3.614
CHELPG
AIM
ESP

	x	y	z
x	11.123	0.028	0.000
y	0.028	9.157	0.000
z	0.000	0.000	5.788

<r²>	140.023
(<r²>)^1/2	11.833

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

using model chemistry: B97D3/TZVP

States and conformations

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