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	hartrees
Energy at 0K	-225.591825
Energy at 298.15K	-225.597704
HF Energy	-224.829895
Nuclear repulsion energy	162.897237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3726	3500	77.38
2	A'	3363	3158	0.79
3	A'	3344	3141	0.85
4	A'	3338	3135	2.63
5	A'	1563	1468	6.48
6	A'	1528	1435	26.29
7	A'	1489	1399	19.22
8	A'	1398	1313	8.59
9	A'	1300	1221	1.11
10	A'	1194	1121	2.76
11	A'	1171	1100	3.69
12	A'	1123	1055	26.79
13	A'	1099	1032	29.61
14	A'	940	883	2.50
15	A'	901	846	4.78
16	A"	814	765	26.96
17	A"	768	721	61.50
18	A"	693	651	25.12
19	A"	670	629	0.01
20	A"	620	582	33.95
21	A"	487	457	74.86

Atom	x (Å)	y (Å)
N1	0.000	1.105
C2	-1.093	0.285
C3	1.120	0.306
N4	-0.740	-0.993
C5	0.636	-0.985
H6	-0.012	2.112
H7	-2.101	0.662
H8	2.116	0.711
H9	1.201	-1.901

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3663	1.3754	2.2246	2.1847	1.0074	2.1469	2.1520	3.2369
C2	1.3663		2.2128	1.3258	2.1457	2.1229	1.0762	3.2368	3.1690
C3	1.3754	2.2128		2.2687	1.3788	2.1316	3.2402	1.0751	2.2084
N4	2.2246	1.3258	2.2687		1.3765	3.1894	2.1429	3.3256	2.1434
C5	2.1847	2.1457	1.3788	1.3765		3.1646	3.1948	2.2506	1.0760
H6	1.0074	2.1229	2.1316	3.1894	3.1646		2.5424	2.5479	4.1926
H7	2.1469	1.0762	3.2402	2.1429	3.1948	2.5424		4.2168	4.1804
H8	2.1520	3.2368	1.0751	3.3256	2.2506	2.5479	4.2168		2.7671
H9	3.2369	3.1690	2.2084	2.1434	1.0760	4.1926	4.1804	2.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.442	N1	C2	H7	122.596
N1	C3	C5	104.977	N1	C3	H8	122.376
C2	N1	C3	107.624	C2	N1	H6	126.173
C2	N4	C5	105.105	C3	N1	H6	126.203
C3	C5	N4	110.852	C3	C5	H9	127.791
N4	C2	H7	125.962	N4	C5	H9	121.357
C5	C3	H8	132.647

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

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

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/6-31+G**

States and conformations

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