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	hartrees
Energy at 0K	-503.543876
Energy at 298.15K	-503.551206
HF Energy	-503.543876
Nuclear repulsion energy	447.930459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3560	3493	0.00
2	A₁'	1876	1841	0.00
3	A₁'	978	960	0.00
4	A₁'	668	656	0.00
5	A₂'	1300	1275	0.00
6	A₂'	1233	1210	0.00
7	A₂'	602	591	0.00
8	A₂"	730	716	107.21
9	A₂"	661	649	260.94
10	A₂"	130	127	1.59
11	E'	3557	3490	178.91
11	E'	3557	3490	178.92
12	E'	1855	1820	779.05
12	E'	1855	1820	779.12
13	E'	1467	1439	329.61
13	E'	1467	1439	329.57
14	E'	1349	1324	5.03
14	E'	1349	1324	5.04
15	E'	1006	987	2.86
15	E'	1006	987	2.86
16	E'	505	495	21.58
16	E'	505	495	21.58
17	E'	379	372	23.72
17	E'	379	372	23.72
18	E"	731	717	0.00
18	E"	731	717	0.00
19	E"	596	585	0.00
19	E"	596	585	0.00
20	E"	156	153	0.00
20	E"	156	153	0.00

Atom	x (Å)	y (Å)
C1	1.238	0.715
C2	-1.238	0.715
C3	0.000	-1.429
N4	0.000	1.329
N5	-1.151	-0.664
N6	1.151	-0.664
O7	2.288	1.321
O8	-2.288	1.321
O9	0.000	-2.642
H10	0.000	2.350
H11	-2.035	-1.175
H12	2.035	-1.175

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4756	2.4756	1.3818	2.7582	1.3818	1.2127	3.5776	3.5776	2.0510	3.7793	2.0510
C2	2.4756		2.4756	1.3818	1.3818	2.7582	3.5776	1.2127	3.5776	2.0510	2.0510	3.7793
C3	2.4756	2.4756		2.7582	1.3818	1.3818	3.5776	3.5776	1.2127	3.7793	2.0510	2.0510
N4	1.3818	1.3818	2.7582		2.3018	2.3018	2.2881	2.2881	3.9710	1.0211	3.2267	3.2267
N5	2.7582	1.3818	1.3818	2.3018		2.3018	3.9710	2.2881	2.2881	3.2267	1.0211	3.2267
N6	1.3818	2.7582	1.3818	2.3018	2.3018		2.2881	3.9710	2.2881	3.2267	3.2267	1.0211
O7	1.2127	3.5776	3.5776	2.2881	3.9710	2.2881		4.5761	4.5761	2.5088	4.9920	2.5088
O8	3.5776	1.2127	3.5776	2.2881	2.2881	3.9710	4.5761		4.5761	2.5088	2.5088	4.9920
O9	3.5776	3.5776	1.2127	3.9710	2.2881	2.2881	4.5761	4.5761		4.9920	2.5088	2.5088
H10	2.0510	2.0510	3.7793	1.0211	3.2267	3.2267	2.5088	2.5088	4.9920		4.0704	4.0704
H11	3.7793	2.0510	2.0510	3.2267	1.0211	3.2267	4.9920	2.5088	2.5088	4.0704		4.0704
H12	2.0510	3.7793	2.0510	3.2267	3.2267	1.0211	2.5088	4.9920	2.5088	4.0704	4.0704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.211	C1	N4	H10	116.395
C1	N6	C3	127.211	C1	N6	H12	116.395
C2	N4	H10	116.395	C2	N5	C3	127.211
C2	N5	H11	116.395	C3	N5	H11	116.395
C3	N6	H12	116.395	N4	C1	N6	112.789
N4	C1	O7	123.605	N4	C2	N5	112.789
N4	C2	O8	123.605	N5	C2	O8	123.605
N5	C3	N6	112.789	N5	C3	O9	123.605
N6	C1	O7	123.605	N6	C3	O9	123.605

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

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

States and conformations

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