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	hartrees
Energy at 0K	-225.701616
Energy at 298.15K	-225.707012
HF Energy	-224.883743
Nuclear repulsion energy	162.726402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3676	3541
2	A'	3299	3178
3	A'	3273	3152
4	A'	3271	3150
5	A'	1558	1501
6	A'	1510	1455
7	A'	1447	1394
8	A'	1364	1314
9	A'	1291	1243
10	A'	1155	1113
11	A'	1144	1102
12	A'	1100	1060
13	A'	1078	1038
14	A'	938	903
15	A'	904	871
16	A"	747	719
17	A"	712	686
18	A"	655	631
19	A"	625	602
20	A"	539	519
21	A"	184	177

Atom	x (Å)	y (Å)
N1	0.000	1.109
C2	-1.091	0.282
C3	1.123	0.300
N4	-0.748	-0.990
C5	0.639	-0.984
H6	-0.012	2.117
H7	-2.101	0.662
H8	2.121	0.705
H9	1.200	-1.905

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3690	1.3836	2.2284	2.1886	1.0075	2.1480	2.1597	3.2446
C2	1.3690		2.2135	1.3175	2.1437	2.1284	1.0795	3.2400	3.1676
C3	1.3836	2.2135		2.2722	1.3725	2.1413	3.2439	1.0776	2.2069
N4	2.2284	1.3175	2.2722		1.3866	3.1926	2.1360	3.3321	2.1522
C5	2.1886	2.1437	1.3725	1.3866		3.1682	3.1967	2.2471	1.0787
H6	1.0075	2.1284	2.1413	3.1926	3.1682		2.5455	2.5582	4.2005
H7	2.1480	1.0795	3.2439	2.1360	3.1967	2.5455		4.2227	4.1824
H8	2.1597	3.2400	1.0776	3.3321	2.2471	2.5582	4.2227		2.7675
H9	3.2446	3.1676	2.2069	2.1522	1.0787	4.2005	4.1824	2.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.071	N1	C2	H7	122.192
N1	C3	C5	105.141	N1	C3	H8	122.199
C2	N1	C3	107.055	C2	N1	H6	126.502
C2	N4	C5	104.856	C3	N1	H6	126.442
C3	C5	N4	110.876	C3	C5	H9	128.004
N4	C2	H7	125.737	N4	C5	H9	121.120
C5	C3	H8	132.660

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

using model chemistry: QCISD(T)/TZVP

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)/TZVP

States and conformations

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