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	hartrees
Energy at 0K	-225.652299
Energy at 298.15K	-225.658140
HF Energy	-224.856282
Nuclear repulsion energy	162.408116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3680	3543
2	A'	3262	3140
3	A'	3239	3118
4	A'	3233	3112
5	A'	1560	1502
6	A'	1514	1458
7	A'	1464	1409
8	A'	1364	1313
9	A'	1278	1230
10	A'	1158	1115
11	A'	1156	1113
12	A'	1102	1060
13	A'	1079	1039
14	A'	938	902
15	A'	902	869
16	A"	803	773
17	A"	790	761
18	A"	681	655
19	A"	666	641
20	A"	626	603
21	A"	458	440

Atom	x (Å)	y (Å)
N1	0.000	1.110
C2	-1.092	0.282
C3	1.125	0.304
N4	-0.749	-0.993
C5	0.638	-0.986
H6	-0.010	2.118
H7	-2.108	0.663
H8	2.129	0.710
H9	1.203	-1.912

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3701	1.3841	2.2330	2.1915	1.0080	2.1547	2.1664	3.2529
C2	1.3701		2.2167	1.3209	2.1450	2.1307	1.0849	3.2489	3.1748
C3	1.3841	2.2167		2.2789	1.3788	2.1404	3.2525	1.0829	2.2173
N4	2.2330	1.3209	2.2789		1.3870	3.1980	2.1421	3.3439	2.1569
C5	2.1915	2.1450	1.3788	1.3870		3.1715	3.2028	2.2579	1.0845
H6	1.0080	2.1307	2.1404	3.1980	3.1715		2.5530	2.5616	4.2090
H7	2.1547	1.0849	3.2525	2.1421	3.2028	2.5530		4.2370	4.1938
H8	2.1664	3.2489	1.0829	3.3439	2.2579	2.5616	4.2370		2.7805
H9	3.2529	3.1748	2.2173	2.1569	1.0845	4.2090	4.1938	2.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.136	N1	C2	H7	122.301
N1	C3	C5	104.963	N1	C3	H8	122.364
C2	N1	C3	107.183	C2	N1	H6	126.589
C2	N4	C5	104.747	C3	N1	H6	126.228
C3	C5	N4	110.970	C3	C5	H9	127.956
N4	C2	H7	125.563	N4	C5	H9	121.074
C5	C3	H8	132.673

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

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

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