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	hartrees
Energy at 0K	-225.645382
Energy at 298.15K	-225.651203
HF Energy	-224.829488
Nuclear repulsion energy	162.458510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3724	3724
2	A'	3334	3334
3	A'	3312	3312
4	A'	3307	3307
5	A'	1574	1574
6	A'	1527	1527
7	A'	1470	1470
8	A'	1385	1385
9	A'	1298	1298
10	A'	1166	1166
11	A'	1158	1158
12	A'	1112	1112
13	A'	1086	1086
14	A'	937	937
15	A'	901	901
16	A"	811	811
17	A"	787	787
18	A"	692	692
19	A"	657	657
20	A"	609	609
21	A"	436	436

Atom	x (Å)	y (Å)
N1	0.000	1.110
C2	-1.094	0.284
C3	1.125	0.302
N4	-0.748	-0.992
C5	0.640	-0.987
H6	-0.012	2.117
H7	-2.103	0.663
H8	2.123	0.706
H9	1.202	-1.906

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3708	1.3849	2.2314	2.1926	1.0069	2.1505	2.1607	3.2471
C2	1.3708		2.2188	1.3229	2.1502	2.1282	1.0780	3.2441	3.1735
C3	1.3849	2.2188		2.2760	1.3770	2.1416	3.2482	1.0765	2.2096
N4	2.2314	1.3229	2.2760		1.3876	3.1951	2.1397	3.3348	2.1531
C5	2.1926	2.1502	1.3770	1.3876		3.1717	3.2014	2.2502	1.0775
H6	1.0069	2.1282	2.1416	3.1951	3.1717		2.5472	2.5589	4.2025
H7	2.1505	1.0780	3.2482	2.1397	3.2014	2.5472		4.2262	4.1865
H8	2.1607	3.2441	1.0765	3.3348	2.2502	2.5589	4.2262		2.7696
H9	3.2471	3.1735	2.2096	2.1531	1.0775	4.2025	4.1865	2.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.857	N1	C2	H7	122.399
N1	C3	C5	105.099	N1	C3	H8	122.261
C2	N1	C3	107.252	C2	N1	H6	126.356
C2	N4	C5	104.968	C3	N1	H6	126.392
C3	C5	N4	110.825	C3	C5	H9	127.960
N4	C2	H7	125.744	N4	C5	H9	121.215
C5	C3	H8	132.640

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

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

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)=FULL/6-31+G**

States and conformations

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