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	hartrees
Energy at 0K	-506.147423
Energy at 298.15K	-506.154754
HF Energy	-506.147423
Nuclear repulsion energy	445.683555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3634	3484	0.00
2	A₁'	1858	1781	0.00
3	A₁'	983	943	0.00
4	A₁'	663	636	0.00
5	A₂'	1365	1309	0.00
6	A₂'	1207	1157	0.00
7	A₂'	610	585	0.00
8	A₂"	722	693	73.43
9	A₂"	667	640	316.24
10	A₂"	126	120	0.88
11	E'	3632	3482	146.83
11	E'	3632	3482	146.85
12	E'	1841	1765	855.03
12	E'	1841	1765	855.13
13	E'	1458	1398	304.77
13	E'	1458	1398	304.70
14	E'	1397	1339	71.42
14	E'	1396	1339	71.41
15	E'	1020	978	9.44
15	E'	1020	978	9.45
16	E'	507	487	24.16
16	E'	507	487	24.16
17	E'	381	365	23.60
17	E'	381	365	23.61
18	E"	733	703	0.00
18	E"	733	703	0.00
19	E"	595	571	0.00
19	E"	595	571	0.00
20	E"	151	145	0.00
20	E"	151	145	0.00

Atom	x (Å)	y (Å)
C1	1.246	0.720
C2	-1.246	0.720
C3	0.000	-1.439
N4	0.000	1.339
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.299	1.327
O8	-2.299	1.327
O9	0.000	-2.654
H10	0.000	2.352
H11	-2.037	-1.176
H12	2.037	-1.176

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4929	2.4929	1.3920	2.7787	1.3920	1.2152	3.5970	3.5970	2.0535	3.7909	2.0535
C2	2.4929		2.4929	1.3920	1.3920	2.7787	3.5970	1.2152	3.5970	2.0535	2.0535	3.7909
C3	2.4929	2.4929		2.7787	1.3920	1.3920	3.5970	3.5970	1.2152	3.7909	2.0535	2.0535
N4	1.3920	1.3920	2.7787		2.3199	2.3199	2.2989	2.2989	3.9939	1.0122	3.2363	3.2363
N5	2.7787	1.3920	1.3920	2.3199		2.3199	3.9939	2.2989	2.2989	3.2363	1.0122	3.2363
N6	1.3920	2.7787	1.3920	2.3199	2.3199		2.2989	3.9939	2.2989	3.2363	3.2363	1.0122
O7	1.2152	3.5970	3.5970	2.2989	3.9939	2.2989		4.5977	4.5977	2.5167	5.0061	2.5167
O8	3.5970	1.2152	3.5970	2.2989	2.2989	3.9939	4.5977		4.5977	2.5167	2.5167	5.0061
O9	3.5970	3.5970	1.2152	3.9939	2.2989	2.2989	4.5977	4.5977		5.0061	2.5167	2.5167
H10	2.0535	2.0535	3.7909	1.0122	3.2363	3.2363	2.5167	2.5167	5.0061		4.0730	4.0730
H11	3.7909	2.0535	2.0535	3.2363	1.0122	3.2363	5.0061	2.5167	2.5167	4.0730		4.0730
H12	2.0535	3.7909	2.0535	3.2363	3.2363	1.0122	2.5167	5.0061	2.5167	4.0730	4.0730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.128	C1	N4	H10	116.436
C1	N6	C3	127.128	C1	N6	H12	116.436
C2	N4	H10	116.436	C2	N5	C3	127.128
C2	N5	H11	116.436	C3	N5	H11	116.436
C3	N6	H12	116.436	N4	C1	N6	112.872
N4	C1	O7	123.564	N4	C2	N5	112.872
N4	C2	O8	123.564	N5	C2	O8	123.564
N5	C3	N6	112.872	N5	C3	O9	123.564
N6	C1	O7	123.564	N6	C3	O9	123.564

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

using model chemistry: TPSSh/6-31G**

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/6-31G**

States and conformations

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