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	hartrees
Energy at 0K	-225.724609
Energy at 298.15K	-225.730562
HF Energy	-224.866707
Nuclear repulsion energy	163.026837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3509	73.95
2	A'	3320	3149	0.92
3	A'	3296	3127	0.81
4	A'	3290	3121	3.83
5	A'	1545	1466	8.14
6	A'	1517	1439	20.47
7	A'	1480	1404	14.18
8	A'	1378	1307	7.91
9	A'	1282	1216	0.81
10	A'	1197	1136	3.80
11	A'	1158	1099	2.64
12	A'	1109	1052	30.19
13	A'	1091	1035	20.66
14	A'	940	892	2.19
15	A'	901	855	6.87
16	A"	832	789	12.84
17	A"	791	750	44.15
18	A"	706	670	25.67
19	A"	682	647	0.42
20	A"	643	610	27.75
21	A"	523	496	78.43

Atom	x (Å)	y (Å)
N1	0.000	1.104
C2	-1.090	0.283
C3	1.119	0.308
N4	-0.740	-0.993
C5	0.633	-0.984
H6	-0.011	2.112
H7	-2.101	0.663
H8	2.118	0.715
H9	1.202	-1.903

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3647	1.3731	2.2238	2.1820	1.0078	2.1466	2.1530	3.2378
C2	1.3647		2.2088	1.3226	2.1388	2.1237	1.0803	3.2364	3.1664
C3	1.3731	2.2088		2.2690	1.3801	2.1283	3.2392	1.0785	2.2120
N4	2.2238	1.3226	2.2690		1.3738	3.1892	2.1434	3.3293	2.1445
C5	2.1820	2.1388	1.3801	1.3738		3.1621	3.1922	2.2560	1.0801
H6	1.0078	2.1237	2.1283	3.1892	3.1621		2.5429	2.5457	4.1934
H7	2.1466	1.0803	3.2392	2.1434	3.1922	2.5429		4.2187	4.1821
H8	2.1530	3.2364	1.0785	3.3293	2.2560	2.5457	4.2187		2.7731
H9	3.2378	3.1664	2.2120	2.1445	1.0801	4.1934	4.1821	2.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.680	N1	C2	H7	122.366
N1	C3	C5	104.846	N1	C3	H8	122.392
C2	N1	C3	107.562	C2	N1	H6	126.393
C2	N4	C5	104.954	C3	N1	H6	126.046
C3	C5	N4	110.958	C3	C5	H9	127.668
N4	C2	H7	125.954	N4	C5	H9	121.374
C5	C3	H8	132.762

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

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

States and conformations

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