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	hartrees
Energy at 0K	-225.574028
Energy at 298.15K	-225.580015
HF Energy	-224.833571
Nuclear repulsion energy	162.482595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3746	3551	79.26
2	A'	3340	3166	1.18
3	A'	3312	3139	0.64
4	A'	3308	3136	4.96
5	A'	1603	1520	11.89
6	A'	1556	1475	21.14
7	A'	1502	1424	15.02
8	A'	1401	1328	6.56
9	A'	1297	1230	0.80
10	A'	1191	1129	7.38
11	A'	1163	1103	1.57
12	A'	1113	1055	18.91
13	A'	1094	1037	31.01
14	A'	950	900	1.93
15	A'	915	868	6.72
16	A"	868	823	2.81
17	A"	832	789	34.07
18	A"	739	700	33.28
19	A"	686	650	2.43
20	A"	648	614	14.10
21	A"	499	473	88.34

Atom	x (Å)	y (Å)
N1	0.000	1.114
C2	-1.089	0.281
C3	1.123	0.305
N4	-0.750	-0.993
C5	0.638	-0.990
H6	-0.015	2.124
H7	-2.109	0.666
H8	2.133	0.711
H9	1.207	-1.919

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3709	1.3842	2.2359	2.1985	1.0100	2.1564	2.1708	3.2645
C2	1.3709		2.2123	1.3175	2.1437	2.1332	1.0910	3.2506	3.1799
C3	1.3842	2.2123		2.2792	1.3835	2.1454	3.2530	1.0885	2.2260
N4	2.2359	1.3175	2.2792		1.3878	3.2019	2.1444	3.3493	2.1658
C5	2.1985	2.1437	1.3835	1.3878		3.1815	3.2077	2.2656	1.0898
H6	1.0100	2.1332	2.1454	3.2019	3.1815		2.5520	2.5705	4.2236
H7	2.1564	1.0910	3.2530	2.1444	3.2077	2.5520		4.2429	4.2054
H8	2.1708	3.2506	1.0885	3.3493	2.2656	2.5705	4.2429		2.7889
H9	3.2645	3.1799	2.2260	2.1658	1.0898	4.2236	4.2054	2.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.532	N1	C2	H7	121.892
N1	C3	C5	105.185	N1	C3	H8	122.332
C2	N1	C3	106.832	C2	N1	H6	126.594
C2	N4	C5	104.795	C3	N1	H6	126.574
C3	C5	N4	110.655	C3	C5	H9	127.919
N4	C2	H7	125.575	N4	C5	H9	121.427
C5	C3	H8	132.483

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

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

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