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	hartrees
Energy at 0K	-224.054399
Energy at 298.15K	-224.060178
HF Energy	-223.503639
Nuclear repulsion energy	155.906412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3237	3168
2	A'	3201	3133
3	A'	3069	3004
4	A'	1504	1472
5	A'	1493	1461
6	A'	1405	1376
7	A'	1292	1265
8	A'	1284	1257
9	A'	1248	1222
10	A'	957	936
11	A'	905	886
12	A'	859	841
13	A'	800	783
14	A'	746	731
15	A"	3120	3054
16	A"	1173	1148
17	A"	1001	980
18	A"	926	907
19	A"	764	748
20	A"	553	542
21	A"	375	367

Atom	x (Å)	y (Å)	z (Å)
N1	-1.164	-0.565	0.000
C2	-0.778	0.895	0.000
N3	0.502	1.162	0.000
C4	1.192	-0.208	0.000
C5	0.000	-1.182	0.000
H6	-1.567	1.637	0.000
H7	1.816	-0.291	0.899
H8	1.816	-0.291	-0.899
H9	0.087	-2.264	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.5101	2.3996	2.3825	1.3169	2.2389	3.1247	3.1247	2.1095
C2	1.5101		1.3071	2.2571	2.2172	1.0832	2.9906	2.9906	3.2750
N3	2.3996	1.3071		1.5341	2.3969	2.1219	2.1562	2.1562	3.4513
C4	2.3825	2.2571	1.5341		1.5390	3.3184	1.0981	1.0981	2.3344
C5	1.3169	2.2172	2.3969	1.5390		3.2248	2.2136	2.2136	1.0860
H6	2.2389	1.0832	2.1219	3.3184	3.2248		3.9962	3.9962	4.2371
H7	3.1247	2.9906	2.1562	1.0981	2.2136	3.9962		1.7989	2.7734
H8	3.1247	2.9906	2.1562	1.0981	2.2136	3.9962	1.7989		2.7734
H9	2.1095	3.2750	3.4513	2.3344	1.0860	4.2371	2.7734	2.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	116.622	N1	C2	H6	118.459
N1	C5	C4	112.843	N1	C5	H9	122.487
C2	N1	C5	103.094	C2	N3	C4	104.925
N3	C2	H6	124.919	N3	C4	C5	102.517
N3	C4	H7	108.882	N3	C4	H8	108.882
C4	C5	H9	124.670	C5	C4	H7	113.094
C5	C4	H8	113.094	H7	C4	H8	109.993

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)

using model chemistry: MP4=FULL/3-21G

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 (4H-Imidazole)

using model chemistry: MP4=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)