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	hartrees
Energy at 0K	-499.204657
Energy at 298.15K	-499.210694
HF Energy	-499.204657
Nuclear repulsion energy	430.546670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3790	3354	0.00
2	A₁'	1916	1696	0.00
3	A₁'	938	830	0.00
4	A₁'	652	577	0.00
5	A₂'	1417	1254	0.00
6	A₂'	1186	1049	0.00
7	A₂'	574	508	0.00
8	A₂"	645	570	1.02
9	A₂"	580	513	404.83
10	A₂"	57	50	5.51
11	E'	3788	3352	57.09
11	E'	3788	3352	57.09
12	E'	1918	1697	340.86
12	E'	1918	1697	340.86
13	E'	1475	1306	99.99
13	E'	1475	1306	99.99
14	E'	1398	1237	253.07
14	E'	1398	1237	253.07
15	E'	1017	900	3.30
15	E'	1017	900	3.30
16	E'	488	432	11.88
16	E'	488	432	11.88
17	E'	358	317	12.62
17	E'	358	317	12.62
18	E"	640	566	0.00
18	E"	640	566	0.00
19	E"	531	470	0.00
19	E"	531	470	0.00
20	E"	94	83	0.00
20	E"	94	83	0.00

Atom	x (Å)	y (Å)
C1	1.303	0.752
C2	-1.303	0.752
C3	0.000	-1.505
N4	0.000	1.378
N5	-1.193	-0.689
N6	1.193	-0.689
O7	2.384	1.376
O8	-2.384	1.376
O9	0.000	-2.752
H10	0.000	2.419
H11	-2.095	-1.210
H12	2.095	-1.210

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.6062	2.6062	1.4455	2.8827	1.4455	1.2476	3.7391	3.7391	2.1159	3.9241	2.1159
C2	2.6062		2.6062	1.4455	1.4455	2.8827	3.7391	1.2476	3.7391	2.1159	2.1159	3.9241
C3	2.6062	2.6062		2.8827	1.4455	1.4455	3.7391	3.7391	1.2476	3.9241	2.1159	2.1159
N4	1.4455	1.4455	2.8827		2.3867	2.3867	2.3836	2.3836	4.1303	1.0414	3.3296	3.3296
N5	2.8827	1.4455	1.4455	2.3867		2.3867	4.1303	2.3836	2.3836	3.3296	1.0414	3.3296
N6	1.4455	2.8827	1.4455	2.3867	2.3867		2.3836	4.1303	2.3836	3.3296	3.3296	1.0414
O7	1.2476	3.7391	3.7391	2.3836	4.1303	2.3836		4.7672	4.7672	2.6019	5.1717	2.6019
O8	3.7391	1.2476	3.7391	2.3836	2.3836	4.1303	4.7672		4.7672	2.6019	2.6019	5.1717
O9	3.7391	3.7391	1.2476	4.1303	2.3836	2.3836	4.7672	4.7672		5.1717	2.6019	2.6019
H10	2.1159	2.1159	3.9241	1.0414	3.3296	3.3296	2.6019	2.6019	5.1717		4.1905	4.1905
H11	3.9241	2.1159	2.1159	3.3296	1.0414	3.3296	5.1717	2.6019	2.6019	4.1905		4.1905
H12	2.1159	3.9241	2.1159	3.3296	3.3296	1.0414	2.6019	5.1717	2.6019	4.1905	4.1905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	128.710	C1	N4	H10	115.645
C1	N6	C3	128.710	C1	N6	H12	115.645
C2	N4	H10	115.645	C2	N5	C3	128.710
C2	N5	H11	115.645	C3	N5	H11	115.645
C3	N6	H12	115.645	N4	C1	N6	111.290
N4	C1	O7	124.355	N4	C2	N5	111.290
N4	C2	O8	124.355	N5	C2	O8	124.355
N5	C3	N6	111.290	N5	C3	O9	124.355
N6	C1	O7	124.355	N6	C3	O9	124.355

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

using model chemistry: B3PW91/STO-3G

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: B3PW91/STO-3G

States and conformations

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