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	hartrees
Energy at 0K	-506.228577
Energy at 298.15K	-506.235992
HF Energy	-506.228577
Nuclear repulsion energy	445.782174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3603	3485	0.00
2	A₁'	1809	1750	0.00
3	A₁'	981	949	0.00
4	A₁'	659	637	0.00
5	A₂'	1361	1316	0.00
6	A₂'	1214	1175	0.00
7	A₂'	608	588	0.00
8	A₂"	736	712	67.07
9	A₂"	671	649	237.83
10	A₂"	131	126	3.29
11	E'	3600	3483	140.40
11	E'	3600	3483	140.46
12	E'	1793	1734	995.02
12	E'	1793	1734	994.77
13	E'	1453	1405	276.30
13	E'	1453	1405	276.27
14	E'	1387	1341	80.30
14	E'	1387	1341	80.36
15	E'	1016	983	14.29
15	E'	1016	983	14.30
16	E'	506	490	25.56
16	E'	506	490	25.56
17	E'	380	368	25.05
17	E'	380	368	25.07
18	E"	740	716	0.00
18	E"	740	716	0.00
19	E"	606	586	0.00
19	E"	606	586	0.00
20	E"	154	149	0.00
20	E"	154	149	0.00

Atom	x (Å)	y (Å)
C1	1.243	0.718
C2	-1.243	0.718
C3	0.000	-1.436
N4	0.000	1.342
N5	-1.162	-0.671
N6	1.162	-0.671
O7	2.297	1.326
O8	-2.297	1.326
O9	0.000	-2.652
H10	0.000	2.355
H11	-2.040	-1.178
H12	2.040	-1.178

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4865	2.4865	1.3909	2.7771	1.3909	1.2169	3.5922	3.5922	2.0559	3.7908	2.0559
C2	2.4865		2.4865	1.3909	1.3909	2.7771	3.5922	1.2169	3.5922	2.0559	2.0559	3.7908
C3	2.4865	2.4865		2.7771	1.3909	1.3909	3.5922	3.5922	1.2169	3.7908	2.0559	2.0559
N4	1.3909	1.3909	2.7771		2.3236	2.3236	2.2971	2.2971	3.9940	1.0137	3.2414	3.2414
N5	2.7771	1.3909	1.3909	2.3236		2.3236	3.9940	2.2971	2.2971	3.2414	1.0137	3.2414
N6	1.3909	2.7771	1.3909	2.3236	2.3236		2.2971	3.9940	2.2971	3.2414	3.2414	1.0137
O7	1.2169	3.5922	3.5922	2.2971	3.9940	2.2971		4.5942	4.5942	2.5170	5.0077	2.5170
O8	3.5922	1.2169	3.5922	2.2971	2.2971	3.9940	4.5942		4.5942	2.5170	2.5170	5.0077
O9	3.5922	3.5922	1.2169	3.9940	2.2971	2.2971	4.5942	4.5942		5.0077	2.5170	2.5170
H10	2.0559	2.0559	3.7908	1.0137	3.2414	3.2414	2.5170	2.5170	5.0077		4.0794	4.0794
H11	3.7908	2.0559	2.0559	3.2414	1.0137	3.2414	5.0077	2.5170	2.5170	4.0794		4.0794
H12	2.0559	3.7908	2.0559	3.2414	3.2414	1.0137	2.5170	5.0077	2.5170	4.0794	4.0794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.714	C1	N4	H10	116.643
C1	N6	C3	126.714	C1	N6	H12	116.643
C2	N4	H10	116.643	C2	N5	C3	126.714
C2	N5	H11	116.643	C3	N5	H11	116.643
C3	N6	H12	116.643	N4	C1	N6	113.286
N4	C1	O7	123.357	N4	C2	N5	113.286
N4	C2	O8	123.357	N5	C2	O8	123.357
N5	C3	N6	113.286	N5	C3	O9	123.357
N6	C1	O7	123.357	N6	C3	O9	123.357

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)

using model chemistry: TPSSh/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 C3H3N3O3 (cyanuric acid)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)