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	hartrees
Energy at 0K	-225.669475
Energy at 298.15K	-225.675374
HF Energy	-224.844019
Nuclear repulsion energy	161.547567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3662	3556
2	A'	3287	3192
3	A'	3263	3169
4	A'	3258	3165
5	A'	1542	1498
6	A'	1495	1452
7	A'	1444	1402
8	A'	1353	1314
9	A'	1261	1225
10	A'	1143	1110
11	A'	1134	1102
12	A'	1087	1056
13	A'	1062	1032
14	A'	925	899
15	A'	888	863
16	A"	832	808
17	A"	800	777
18	A"	708	688
19	A"	662	643
20	A"	625	607
21	A"	498	483

Atom	x (Å)	y (Å)
N1	0.000	1.115
C2	-1.099	0.286
C3	1.131	0.306
N4	-0.752	-0.998
C5	0.642	-0.993
H6	-0.014	2.127
H7	-2.118	0.671
H8	2.139	0.714
H9	1.212	-1.922

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3763	1.3903	2.2421	2.2038	1.0121	2.1645	2.1765	3.2697
C2	1.3763		2.2296	1.3299	2.1608	2.1366	1.0894	3.2664	3.1964
C3	1.3903	2.2296		2.2894	1.3877	2.1510	3.2694	1.0883	2.2289
N4	2.2421	1.3299	2.2894		1.3940	3.2103	2.1564	3.3598	2.1706
C5	2.2038	2.1608	1.3877	1.3940		3.1884	3.2233	2.2709	1.0895
H6	1.0121	2.1366	2.1510	3.2103	3.1884		2.5592	2.5753	4.2303
H7	2.1645	1.0894	3.2694	2.1564	3.2233	2.5592		4.2579	4.2206
H8	2.1765	3.2664	1.0883	3.3598	2.2709	2.5753	4.2579		2.7943
H9	3.2697	3.1964	2.2289	2.1706	1.0895	4.2303	4.2206	2.7943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.882	N1	C2	H7	122.328
N1	C3	C5	104.989	N1	C3	H8	122.359
C2	N1	C3	107.392	C2	N1	H6	126.225
C2	N4	C5	104.962	C3	N1	H6	126.382
C3	C5	N4	110.775	C3	C5	H9	127.851
N4	C2	H7	125.790	N4	C5	H9	121.374
C5	C3	H8	132.652

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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