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	hartrees
Energy at 0K	-504.804204
Energy at 298.15K	-504.811590
HF Energy	-503.393332
Nuclear repulsion energy	446.403122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3727	3508	0.00
2	A₁'	1893	1782	0.00
3	A₁'	1006	947	0.00
4	A₁'	680	640	0.00
5	A₂'	1416	1333	0.00
6	A₂'	1277	1203	0.00
7	A₂'	631	594	0.00
8	A₂"	717	675	69.05
9	A₂"	667	628	382.91
10	A₂"	115	109	0.13
11	E'	3724	3506	160.68
11	E'	3724	3506	160.68
12	E'	1880	1770	927.02
12	E'	1880	1770	927.04
13	E'	1511	1423	353.83
13	E'	1511	1423	353.83
14	E'	1438	1353	58.86
14	E'	1438	1353	58.85
15	E'	1053	992	15.33
15	E'	1053	992	15.33
16	E'	523	493	22.21
16	E'	523	493	22.21
17	E'	392	369	27.65
17	E'	392	369	27.67
18	E"	734	691	0.00
18	E"	734	691	0.00
19	E"	598	563	0.00
19	E"	598	563	0.00
20	E"	143	134	0.00
20	E"	143	134	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	1.338
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.295	1.325
O8	-2.295	1.325
O9	0.000	-2.650
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		2.4870	2.4870	1.3896	2.7740	1.3896	1.2144	3.5904	3.5904	2.0488	3.7821	2.0488
C2	2.4870		2.4870	1.3896	1.3896	2.7740	3.5904	1.2144	3.5904	2.0488	2.0488	3.7821
C3	2.4870	2.4870		2.7740	1.3896	1.3896	3.5904	3.5904	1.2144	3.7821	2.0488	2.0488
N4	1.3896	1.3896	2.7740		2.3176	2.3176	2.2952	2.2952	3.9883	1.0081	3.2303	3.2303
N5	2.7740	1.3896	1.3896	2.3176		2.3176	3.9883	2.2952	2.2952	3.2303	1.0081	3.2303
N6	1.3896	2.7740	1.3896	2.3176	2.3176		2.2952	3.9883	2.2952	3.2303	3.2303	1.0081
O7	1.2144	3.5904	3.5904	2.2952	3.9883	2.2952		4.5903	4.5903	2.5120	4.9964	2.5120
O8	3.5904	1.2144	3.5904	2.2952	2.2952	3.9883	4.5903		4.5903	2.5120	2.5120	4.9964
O9	3.5904	3.5904	1.2144	3.9883	2.2952	2.2952	4.5903	4.5903		4.9964	2.5120	2.5120
H10	2.0488	2.0488	3.7821	1.0081	3.2303	3.2303	2.5120	2.5120	4.9964		4.0637	4.0637
H11	3.7821	2.0488	2.0488	3.2303	1.0081	3.2303	4.9964	2.5120	2.5120	4.0637		4.0637
H12	2.0488	3.7821	2.0488	3.2303	3.2303	1.0081	2.5120	4.9964	2.5120	4.0637	4.0637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.987	C1	N4	H10	116.507
C1	N6	C3	126.987	C1	N6	H12	116.507
C2	N4	H10	116.507	C2	N5	C3	126.987
C2	N5	H11	116.507	C3	N5	H11	116.507
C3	N6	H12	116.507	N4	C1	N6	113.013
N4	C1	O7	123.493	N4	C2	N5	113.013
N4	C2	O8	123.493	N5	C2	O8	123.493
N5	C3	N6	113.013	N5	C3	O9	123.493
N6	C1	O7	123.493	N6	C3	O9	123.493

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

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

States and conformations

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