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	hartrees
Energy at 0K	-225.629949
Energy at 298.15K	-225.635884
HF Energy	-224.866412
Nuclear repulsion energy	162.880664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3693	3509	73.56
2	A'	3314	3149	0.98
3	A'	3290	3126	0.82
4	A'	3284	3121	3.87
5	A'	1542	1465	8.18
6	A'	1514	1438	20.30
7	A'	1476	1403	14.41
8	A'	1374	1306	7.79
9	A'	1280	1217	0.84
10	A'	1193	1134	3.87
11	A'	1156	1099	2.66
12	A'	1108	1052	29.45
13	A'	1089	1035	20.99
14	A'	938	891	2.17
15	A'	900	855	6.83
16	A"	827	786	14.21
17	A"	786	747	44.68
18	A"	701	666	24.44
19	A"	680	646	0.57
20	A"	640	608	27.59
21	A"	512	487	77.87

Atom	x (Å)	y (Å)
N1	0.000	1.105
C2	-1.091	0.283
C3	1.120	0.308
N4	-0.741	-0.994
C5	0.634	-0.985
H6	-0.011	2.113
H7	-2.102	0.664
H8	2.119	0.716
H9	1.202	-1.904

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3660	1.3745	2.2261	2.1840	1.0084	2.1479	2.1545	3.2402
C2	1.3660		2.2109	1.3238	2.1405	2.1254	1.0806	3.2388	3.1685
C3	1.3745	2.2109		2.2715	1.3813	2.1301	3.2416	1.0789	2.2135
N4	2.2261	1.3238	2.2715		1.3753	3.1921	2.1447	3.3323	2.1459
C5	2.1840	2.1405	1.3813	1.3753		3.1646	3.1943	2.2576	1.0804
H6	1.0084	2.1254	2.1301	3.1921	3.1646		2.5446	2.5476	4.1963
H7	2.1479	1.0806	3.2416	2.1447	3.1943	2.5446		4.2214	4.1846
H8	2.1545	3.2388	1.0789	3.3323	2.2576	2.5476	4.2214		2.7752
H9	3.2402	3.1685	2.2135	2.1459	1.0804	4.1963	4.1846	2.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.700	N1	C2	H7	122.353
N1	C3	C5	104.836	N1	C3	H8	122.378
C2	N1	C3	107.557	C2	N1	H6	126.392
C2	N4	C5	104.928	C3	N1	H6	126.052
C3	C5	N4	110.979	C3	C5	H9	127.669
N4	C2	H7	125.947	N4	C5	H9	121.352
C5	C3	H8	132.786

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)

using model chemistry: MP2/6-311G**

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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All results from a given calculation for C3H4N2 (1H-Imidazole)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)