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	hartrees
Energy at 0K	-225.571979
Energy at 298.15K	-225.577817
HF Energy	-224.810451
Nuclear repulsion energy	162.360613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3650	3501
2	A'	3287	3154
3	A'	3263	3130
4	A'	3258	3126
5	A'	1577	1513
6	A'	1531	1468
7	A'	1471	1411
8	A'	1384	1327
9	A'	1294	1242
10	A'	1168	1121
11	A'	1162	1115
12	A'	1115	1070
13	A'	1089	1045
14	A'	939	901
15	A'	902	866
16	A"	809	776
17	A"	785	753
18	A"	688	660
19	A"	669	642
20	A"	623	598
21	A"	465	446

Atom	x (Å)	y (Å)
N1	0.000	1.110
C2	-1.093	0.283
C3	1.125	0.302
N4	-0.749	-0.994
C5	0.639	-0.985
H6	-0.011	2.123
H7	-2.109	0.664
H8	2.129	0.710
H9	1.204	-1.911

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3704	1.3849	2.2326	2.1901	1.0130	2.1556	2.1658	3.2522
C2	1.3704		2.2182	1.3223	2.1469	2.1340	1.0853	3.2498	3.1768
C3	1.3849	2.2182		2.2782	1.3757	2.1461	3.2544	1.0832	2.2149
N4	2.2326	1.3223	2.2782		1.3882	3.2023	2.1447	3.3438	2.1577
C5	2.1901	2.1469	1.3757	1.3882		3.1750	3.2055	2.2562	1.0849
H6	1.0130	2.1340	2.1461	3.2023	3.1750		2.5547	2.5642	4.2131
H7	2.1556	1.0853	3.2544	2.1447	3.2055	2.5547		4.2379	4.1967
H8	2.1658	3.2498	1.0832	3.3438	2.2562	2.5642	4.2379		2.7795
H9	3.2522	3.1768	2.2149	2.1577	1.0849	4.2131	4.1967	2.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.009	N1	C2	H7	122.324
N1	C3	C5	104.999	N1	C3	H8	122.217
C2	N1	C3	107.230	C2	N1	H6	126.455
C2	N4	C5	104.737	C3	N1	H6	126.315
C3	C5	N4	111.026	C3	C5	H9	127.963
N4	C2	H7	125.668	N4	C5	H9	121.011
C5	C3	H8	132.784

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

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

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