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	hartrees
Energy at 0K	-503.342498
Energy at 298.15K	-503.350128
HF Energy	-503.342498
Nuclear repulsion energy	442.048683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3566	3455	0.00
2	A₁'	1789	1733	0.00
3	A₁'	982	951	0.00
4	A₁'	644	624	0.00
5	A₂'	1424	1379	0.00
6	A₂'	1161	1125	0.00
7	A₂'	602	584	0.00
8	A₂"	856	829	404.56
9	A₂"	712	690	147.95
10	A₂"	169	163	2.90
11	E'	3563	3452	132.68
11	E'	3563	3452	132.70
12	E'	1778	1723	656.38
12	E'	1778	1723	656.37
13	E'	1428	1383	1.15
13	E'	1428	1383	1.13
14	E'	1389	1346	369.56
14	E'	1389	1346	369.50
15	E'	1012	980	5.31
15	E'	1012	980	5.31
16	E'	500	484	24.51
16	E'	500	484	24.50
17	E'	378	366	21.06
17	E'	378	366	21.06
18	E"	792	767	0.00
18	E"	792	767	0.00
19	E"	682	660	0.00
19	E"	682	660	0.00
20	E"	166	161	0.00
20	E"	166	161	0.00

Atom	x (Å)	y (Å)
C1	1.255	0.724
C2	-1.255	0.724
C3	0.000	-1.449
N4	0.000	1.344
N5	-1.164	-0.672
N6	1.164	-0.672
O7	2.323	1.341
O8	-2.323	1.341
O9	0.000	-2.682
H10	0.000	2.362
H11	-2.045	-1.181
H12	2.045	-1.181

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5093	2.5093	1.3992	2.7925	1.3992	1.2335	3.6303	3.6303	2.0629	3.8106	2.0629
C2	2.5093		2.5093	1.3992	1.3992	2.7925	3.6303	1.2335	3.6303	2.0629	2.0629	3.8106
C3	2.5093	2.5093		2.7925	1.3992	1.3992	3.6303	3.6303	1.2335	3.8106	2.0629	2.0629
N4	1.3992	1.3992	2.7925		2.3274	2.3274	2.3229	2.3229	4.0259	1.0181	3.2492	3.2492
N5	2.7925	1.3992	1.3992	2.3274		2.3274	4.0259	2.3229	2.3229	3.2492	1.0181	3.2492
N6	1.3992	2.7925	1.3992	2.3274	2.3274		2.3229	4.0259	2.3229	3.2492	3.2492	1.0181
O7	1.2335	3.6303	3.6303	2.3229	4.0259	2.3229		4.6457	4.6457	2.5372	5.0440	2.5372
O8	3.6303	1.2335	3.6303	2.3229	2.3229	4.0259	4.6457		4.6457	2.5372	2.5372	5.0440
O9	3.6303	3.6303	1.2335	4.0259	2.3229	2.3229	4.6457	4.6457		5.0440	2.5372	2.5372
H10	2.0629	2.0629	3.8106	1.0181	3.2492	3.2492	2.5372	2.5372	5.0440		4.0908	4.0908
H11	3.8106	2.0629	2.0629	3.2492	1.0181	3.2492	5.0440	2.5372	2.5372	4.0908		4.0908
H12	2.0629	3.8106	2.0629	3.2492	3.2492	1.0181	2.5372	5.0440	2.5372	4.0908	4.0908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.454	C1	N4	H10	116.273
C1	N6	C3	127.454	C1	N6	H12	116.273
C2	N4	H10	116.273	C2	N5	C3	127.454
C2	N5	H11	116.273	C3	N5	H11	116.273
C3	N6	H12	116.273	N4	C1	N6	112.546
N4	C1	O7	123.727	N4	C2	N5	112.546
N4	C2	O8	123.727	N5	C2	O8	123.727
N5	C3	N6	112.546	N5	C3	O9	123.727
N6	C1	O7	123.727	N6	C3	O9	123.727

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

using model chemistry: TPSSh/3-21G

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/3-21G

States and conformations

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