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	hartrees
Energy at 0K	-263.962304
Energy at 298.15K	-263.970389
HF Energy	-263.962304
Nuclear repulsion energy	227.411260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3911	3545	78.96
2	A	3429	3108	4.05
3	A	3399	3081	6.14
4	A	3280	2973	7.68
5	A	3213	2912	24.84
6	A	3167	2871	31.64
7	A	1760	1595	61.09
8	A	1660	1504	12.81
9	A	1623	1471	12.42
10	A	1602	1452	6.81
11	A	1574	1427	43.81
12	A	1541	1397	0.97
13	A	1497	1356	2.95
14	A	1374	1246	14.87
15	A	1245	1129	14.80
16	A	1230	1115	1.38
17	A	1166	1057	30.07
18	A	1163	1054	0.83
19	A	1094	991	10.96
20	A	1050	951	6.15
21	A	1002	908	1.76
22	A	999	906	5.28
23	A	837	758	63.04
24	A	758	687	10.26
25	A	718	651	1.28
26	A	692	627	6.65
27	A	535	485	84.02
28	A	375	340	5.71
29	A	281	255	9.07
30	A	80	72	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	2.096	-0.025	0.000
H2	2.474	0.486	0.878
H3	2.474	-1.035	-0.001
H4	2.474	0.488	-0.877
N5	-0.165	1.032	-0.000
H6	0.156	1.966	-0.001
C7	0.609	-0.068	-0.000
N8	-0.115	-1.134	-0.000
C9	-1.415	-0.715	-0.000
H10	-2.227	-1.406	-0.000
C11	-1.472	0.625	0.000
H12	-2.288	1.310	0.000

	C1	H2	H3	H4	N5	H6	C7	N8	C9	H10	C11	H12
C1		1.0836	1.0787	1.0836	2.4965	2.7797	1.4884	2.4743	3.5787	4.5389	3.6274	4.5829
H2	1.0836		1.7568	1.7545	2.8348	2.8870	2.1349	3.1783	4.1641	5.1434	4.0454	4.9118
H3	1.0787	1.7568		1.7568	3.3529	3.7920	2.1018	2.5915	3.9028	4.7162	4.2817	5.3083
H4	1.0836	1.7545	1.7568		2.8342	2.8855	2.1349	3.1789	4.1644	5.1440	4.0452	4.9115
N5	2.4965	2.8348	3.3529	2.8342		0.9872	1.3447	2.1669	2.1477	3.1933	1.3690	2.1406
H6	2.7797	2.8870	3.7920	2.8855	0.9872		2.0829	3.1116	3.1066	4.1291	2.1092	2.5302
C7	1.4884	2.1349	2.1018	2.1349	1.3447	2.0829		1.2891	2.1247	3.1359	2.1932	3.2073
N8	2.4743	3.1783	2.5915	3.1789	2.1669	3.1116	1.2891		1.3660	2.1294	2.2217	3.2700
C9	3.5787	4.1641	3.9028	4.1644	2.1477	3.1066	2.1247	1.3660		1.0668	1.3406	2.2043
H10	4.5389	5.1434	4.7162	5.1440	3.1933	4.1291	3.1359	2.1294	1.0668		2.1670	2.7168
C11	3.6274	4.0454	4.2817	4.0452	1.3690	2.1092	2.1932	2.2217	1.3406	2.1670		1.0649
H12	4.5829	4.9118	5.3083	4.9115	2.1406	2.5302	3.2073	3.2700	2.2043	2.7168	1.0649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	N5	123.492	C1	C7	N8	125.809
H2	C1	H3	108.670	H2	C1	H4	108.102
H2	C1	C7	111.230	H3	C1	H4	108.671
H3	C1	C7	108.867	H4	C1	C7	111.233
N5	C7	N8	110.699	N5	C11	C9	104.862
N5	C11	H12	122.669	H6	N5	C7	125.869
H6	N5	C11	126.299	C7	N5	C11	107.832
C7	N8	C9	106.269	N8	C9	H10	121.671
N8	C9	C11	110.337	C9	C11	H12	132.468
H10	C9	C11	127.992

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

using model chemistry: HF/Def2TZVPP

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	-0.239
2	H	0.072
3	H	0.112
4	H	0.072
5	N	-0.296
6	H	0.185
7	C	0.350
8	N	-0.426
9	C	0.003
10	H	0.090
11	C	-0.036
12	H	0.112

	x	y	z	Total
	0.675	3.629	-0.001	3.691
CHELPG
AIM
ESP

	x	y	z
x	9.877	0.067	-0.000
y	0.067	8.540	0.000
z	-0.000	0.000	5.700

<r²>	136.945
(<r²>)^1/2	11.702

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

using model chemistry: HF/Def2TZVPP

States and conformations

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