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	hartrees
Energy at 0K	-503.755937
Energy at 298.15K	-503.763375
HF Energy	-503.755937
Nuclear repulsion energy	449.983895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3523	3490	0.00
2	A₁'	1831	1814	0.00
3	A₁'	982	972	0.00
4	A₁'	666	659	0.00
5	A₂'	1304	1292	0.00
6	A₂'	1235	1224	0.00
7	A₂'	607	602	0.00
8	A₂"	757	750	105.68
9	A₂"	657	650	196.44
10	A₂"	135	133	4.61
11	E'	3520	3487	177.51
11	E'	3520	3487	177.52
12	E'	1804	1787	938.42
12	E'	1804	1787	938.52
13	E'	1457	1444	330.57
13	E'	1457	1444	330.52
14	E'	1354	1342	8.78
14	E'	1354	1342	8.78
15	E'	1009	999	7.77
15	E'	1009	999	7.77
16	E'	507	502	23.91
16	E'	507	502	23.91
17	E'	381	378	25.14
17	E'	381	378	25.13
18	E"	747	740	0.00
18	E"	747	740	0.00
19	E"	600	594	0.00
19	E"	600	594	0.00
20	E"	159	158	0.00
20	E"	159	158	0.00

Atom	x (Å)	y (Å)
C1	1.230	0.710
C2	-1.230	0.710
C3	0.000	-1.420
N4	0.000	1.326
N5	-1.149	-0.663
N6	1.149	-0.663
O7	2.275	1.314
O8	-2.275	1.314
O9	0.000	-2.627
H10	0.000	2.346
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4604	2.4604	1.3759	2.7469	1.3759	1.2067	3.5570	3.5570	2.0467	3.7664	2.0467
C2	2.4604		2.4604	1.3759	1.3759	2.7469	3.5570	1.2067	3.5570	2.0467	2.0467	3.7664
C3	2.4604	2.4604		2.7469	1.3759	1.3759	3.5570	3.5570	1.2067	3.7664	2.0467	2.0467
N4	1.3759	1.3759	2.7469		2.2974	2.2974	2.2753	2.2753	3.9536	1.0195	3.2209	3.2209
N5	2.7469	1.3759	1.3759	2.2974		2.2974	3.9536	2.2753	2.2753	3.2209	1.0195	3.2209
N6	1.3759	2.7469	1.3759	2.2974	2.2974		2.2753	3.9536	2.2753	3.2209	3.2209	1.0195
O7	1.2067	3.5570	3.5570	2.2753	3.9536	2.2753		4.5505	4.5505	2.4985	4.9732	2.4985
O8	3.5570	1.2067	3.5570	2.2753	2.2753	3.9536	4.5505		4.5505	2.4985	2.4985	4.9732
O9	3.5570	3.5570	1.2067	3.9536	2.2753	2.2753	4.5505	4.5505		4.9732	2.4985	2.4985
H10	2.0467	2.0467	3.7664	1.0195	3.2209	3.2209	2.4985	2.4985	4.9732		4.0633	4.0633
H11	3.7664	2.0467	2.0467	3.2209	1.0195	3.2209	4.9732	2.4985	2.4985	4.0633		4.0633
H12	2.0467	3.7664	2.0467	3.2209	3.2209	1.0195	2.4985	4.9732	2.4985	4.0633	4.0633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.791	C1	N4	H10	116.605
C1	N6	C3	126.791	C1	N6	H12	116.605
C2	N4	H10	116.605	C2	N5	C3	126.791
C2	N5	H11	116.605	C3	N5	H11	116.605
C3	N6	H12	116.605	N4	C1	N6	113.209
N4	C1	O7	123.395	N4	C2	N5	113.209
N4	C2	O8	123.395	N5	C2	O8	123.395
N5	C3	N6	113.209	N5	C3	O9	123.395
N6	C1	O7	123.395	N6	C3	O9	123.395

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

using model chemistry: LSDA/aug-cc-pVTZ

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: LSDA/aug-cc-pVTZ

States and conformations

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