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	hartrees
Energy at 0K	-224.080466
Energy at 298.15K	-224.086410
HF Energy	-223.541863
Nuclear repulsion energy	159.779776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3569	3494
2	A'	3276	3207
3	A'	3252	3183
4	A'	3250	3181
5	A'	1506	1474
6	A'	1443	1412
7	A'	1383	1354
8	A'	1304	1277
9	A'	1242	1215
10	A'	1148	1123
11	A'	1065	1043
12	A'	1057	1034
13	A'	1009	988
14	A'	941	921
15	A'	897	878
16	A"	838	820
17	A"	812	795
18	A"	727	712
19	A"	668	653
20	A"	640	627
21	A"	589	577

Atom	x (Å)	y (Å)
N1	0.000	1.130
C2	-1.119	0.290
C3	1.141	0.300
N4	-0.765	-1.008
C5	0.664	-1.000
H6	0.001	2.145
H7	-2.132	0.671
H8	2.145	0.703
H9	1.225	-1.923

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3994	1.4116	2.2707	2.2310	1.0148	2.1806	2.1870	3.2899
C2	1.3994		2.2605	1.3452	2.2004	2.1670	1.0816	3.2899	3.2238
C3	1.4116	2.2605		2.3117	1.3846	2.1692	3.2939	1.0813	2.2245
N4	2.2707	1.3452	2.3117		1.4285	3.2445	2.1642	3.3753	2.1904
C5	2.2310	2.2004	1.3846	1.4285		3.2139	3.2562	2.2568	1.0806
H6	1.0148	2.1670	2.1692	3.2445	3.2139		2.5929	2.5838	4.2483
H7	2.1806	1.0816	3.2939	2.1642	3.2562	2.5929		4.2766	4.2418
H8	2.1870	3.2899	1.0813	3.3753	2.2568	2.5838	4.2766		2.7824
H9	3.2899	3.2238	2.2245	2.1904	1.0806	4.2483	4.2418	2.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.636	N1	C2	H7	122.510
N1	C3	C5	105.851	N1	C3	H8	122.079
C2	N1	C3	107.061	C2	N1	H6	126.961
C2	N4	C5	104.946	C3	N1	H6	125.978
C3	C5	N4	110.506	C3	C5	H9	128.510
N4	C2	H7	125.854	N4	C5	H9	120.985
C5	C3	H8	132.070

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

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

States and conformations

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