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	hartrees
Energy at 0K	-225.575157
Energy at 298.15K	-225.581112
HF Energy	-224.821666
Nuclear repulsion energy	163.139963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3743	3497	71.40
2	A'	3369	3148	1.08
3	A'	3343	3124	0.55
4	A'	3340	3121	4.91
5	A'	1577	1473	7.84
6	A'	1545	1443	20.86
7	A'	1505	1406	19.12
8	A'	1407	1315	10.39
9	A'	1307	1221	1.00
10	A'	1203	1124	3.45
11	A'	1178	1101	2.74
12	A'	1130	1056	22.25
13	A'	1107	1034	24.49
14	A'	944	882	1.76
15	A'	904	845	7.01
16	A"	833	779	15.50
17	A"	783	731	38.42
18	A"	705	659	14.76
19	A"	687	642	0.03
20	A"	642	600	36.35
21	A"	535	500	80.59

Atom	x (Å)	y (Å)
N1	0.000	1.103
C2	-1.090	0.283
C3	1.118	0.306
N4	-0.740	-0.993
C5	0.635	-0.982
H6	-0.011	2.109
H7	-2.097	0.663
H8	2.113	0.712
H9	1.202	-1.897

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3643	1.3734	2.2232	2.1800	1.0059	2.1428	2.1490	3.2315
C2	1.3643		2.2087	1.3233	2.1392	2.1209	1.0762	3.2319	3.1628
C3	1.3734	2.2087		2.2676	1.3762	2.1278	3.2352	1.0743	2.2042
N4	2.2232	1.3233	2.2676		1.3748	3.1867	2.1411	3.3239	2.1417
C5	2.1800	2.1392	1.3762	1.3748		3.1582	3.1890	2.2485	1.0758
H6	1.0059	2.1209	2.1278	3.1867	3.1582		2.5379	2.5429	4.1853
H7	2.1428	1.0762	3.2352	2.1411	3.1890	2.5379		4.2104	4.1753
H8	2.1490	3.2319	1.0743	3.3239	2.2485	2.5429	4.2104		2.7631
H9	3.2315	3.1628	2.2042	2.1417	1.0758	4.1853	4.1753	2.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.618	N1	C2	H7	122.364
N1	C3	C5	104.903	N1	C3	H8	122.325
C2	N1	C3	107.561	C2	N1	H6	126.301
C2	N4	C5	104.886	C3	N1	H6	126.137
C3	C5	N4	111.033	C3	C5	H9	127.614
N4	C2	H7	126.018	N4	C5	H9	121.353
C5	C3	H8	132.773

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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