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	hartrees
Energy at 0K	-225.706263
Energy at 298.15K	-225.712228
HF Energy	-224.858446
Nuclear repulsion energy	163.349657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3764	3764	65.05
2	A'	3323	3323	2.11
3	A'	3298	3298	0.78
4	A'	3295	3295	5.75
5	A'	1610	1610	14.03
6	A'	1557	1557	22.75
7	A'	1505	1505	18.83
8	A'	1405	1405	7.34
9	A'	1309	1309	0.79
10	A'	1192	1192	7.46
11	A'	1181	1181	0.75
12	A'	1126	1126	21.57
13	A'	1105	1105	37.72
14	A'	962	962	2.26
15	A'	927	927	6.94
16	A"	840	840	1.88
17	A"	824	824	50.05
18	A"	716	716	38.19
19	A"	686	686	8.69
20	A"	646	646	18.36
21	A"	498	498	102.94

Atom	x (Å)	y (Å)
N1	0.000	1.104
C2	-1.086	0.281
C3	1.118	0.302
N4	-0.744	-0.985
C5	0.635	-0.982
H6	-0.011	2.107
H7	-2.098	0.658
H8	2.119	0.702
H9	1.197	-1.904

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3626	1.3763	2.2175	2.1808	1.0025	2.1448	2.1566	3.2376
C2	1.3626		2.2038	1.3110	2.1343	2.1186	1.0803	3.2322	3.1597
C3	1.3763	2.2038		2.2631	1.3718	2.1290	3.2357	1.0782	2.2072
N4	2.2175	1.3110	2.2631		1.3787	3.1771	2.1291	3.3230	2.1474
C5	2.1808	2.1343	1.3718	1.3787		3.1556	3.1873	2.2452	1.0797
H6	1.0025	2.1186	2.1290	3.1771	3.1556		2.5403	2.5511	4.1887
H7	2.1448	1.0803	3.2357	2.1291	3.1873	2.5403		4.2171	4.1738
H8	2.1566	3.2322	1.0782	3.3230	2.2452	2.5511	4.2171		2.7650
H9	3.2376	3.1597	2.2072	2.1474	1.0797	4.1887	4.1738	2.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.062	N1	C2	H7	122.376
N1	C3	C5	105.045	N1	C3	H8	122.497
C2	N1	C3	107.152	C2	N1	H6	126.546
C2	N4	C5	105.007	C3	N1	H6	126.302
C3	C5	N4	110.735	C3	C5	H9	128.008
N4	C2	H7	125.562	N4	C5	H9	121.257
C5	C3	H8	132.458

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

using model chemistry: MP3=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: MP3=FULL/6-311G*

States and conformations

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