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	hartrees
Energy at 0K	-225.917306
Energy at 298.15K	-225.923308
HF Energy	-224.894380
Nuclear repulsion energy	163.386476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3690	3553
2	A'	3305	3183
3	A'	3277	3155
4	A'	3272	3150
5	A'	1549	1491
6	A'	1511	1455
7	A'	1450	1396
8	A'	1366	1315
9	A'	1286	1238
10	A'	1165	1122
11	A'	1153	1110
12	A'	1099	1059
13	A'	1082	1042
14	A'	936	901
15	A'	900	867
16	A"	875	842
17	A"	833	802
18	A"	740	713
19	A"	683	657
20	A"	648	624
21	A"	536	516

Atom	x (Å)	y (Å)
N1	0.000	1.104
C2	-1.087	0.283
C3	1.117	0.302
N4	-0.742	-0.989
C5	0.635	-0.982
H6	-0.011	2.107
H7	-2.091	0.662
H8	2.110	0.703
H9	1.200	-1.894

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3623	1.3751	2.2202	2.1803	1.0030	2.1372	2.1478	3.2289
C2	1.3623		2.2039	1.3170	2.1363	2.1178	1.0733	3.2245	3.1569
C3	1.3751	2.2039		2.2631	1.3711	2.1285	3.2280	1.0712	2.1971
N4	2.2202	1.3170	2.2631		1.3773	3.1806	2.1314	3.3163	2.1428
C5	2.1803	2.1363	1.3711	1.3773		3.1556	3.1832	2.2395	1.0727
H6	1.0030	2.1178	2.1285	3.1806	3.1556		2.5325	2.5436	4.1799
H7	2.1372	1.0733	3.2280	2.1314	3.1832	2.5325		4.2013	4.1667
H8	2.1478	3.2245	1.0712	3.3163	2.2395	2.5436	4.2013		2.7518
H9	3.2289	3.1569	2.1971	2.1428	1.0727	4.1799	4.1667	2.7518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.907	N1	C2	H7	122.228
N1	C3	C5	105.109	N1	C3	H8	122.312
C2	N1	C3	107.239	C2	N1	H6	126.441
C2	N4	C5	104.891	C3	N1	H6	126.320
C3	C5	N4	110.854	C3	C5	H9	127.647
N4	C2	H7	125.865	N4	C5	H9	121.500
C5	C3	H8	132.579

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

using model chemistry: MP4=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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