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	hartrees
Energy at 0K	-504.820794
Energy at 298.15K	-504.828058
HF Energy	-503.379278
Nuclear repulsion energy	445.230023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3623	3486
2	A₁'	1878	1806
3	A₁'	997	959
4	A₁'	672	647
5	A₂'	1393	1340
6	A₂'	1260	1212
7	A₂'	619	596
8	A₂"	697	670
9	A₂"	659	634
10	A₂"	110	105
11	E'	3621	3484
11	E'	3621	3483
12	E'	1865	1795
12	E'	1865	1794
13	E'	1493	1437
13	E'	1493	1436
14	E'	1420	1366
14	E'	1419	1365
15	E'	1043	1003
15	E'	1041	1002
16	E'	518	499
16	E'	517	498
17	E'	387	372
17	E'	386	372
18	E"	720	693
18	E"	720	693
19	E"	589	566
19	E"	588	566
20	E"	140	135
20	E"	140	135

Atom	x (Å)	y (Å)
C1	1.247	0.720
C2	-1.247	0.720
C3	0.000	-1.440
N4	0.000	1.340
N5	-1.161	-0.670
N6	1.161	-0.670
O7	2.301	1.329
O8	-2.301	1.329
O9	0.000	-2.657
H10	0.000	2.357
H11	-2.041	-1.178
H12	2.041	-1.178

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4940	2.4940	1.3928	2.7803	1.3928	1.2172	3.6000	3.6000	2.0575	3.7964	2.0575
C2	2.4940		2.4940	1.3928	1.3928	2.7803	3.6000	1.2172	3.6000	2.0575	2.0575	3.7964
C3	2.4940	2.4940		2.7803	1.3928	1.3928	3.6000	3.6000	1.2172	3.7964	2.0575	2.0575
N4	1.3928	1.3928	2.7803		2.3216	2.3216	2.3012	2.3012	3.9975	1.0162	3.2417	3.2417
N5	2.7803	1.3928	1.3928	2.3216		2.3216	3.9975	2.3012	2.3012	3.2417	1.0162	3.2417
N6	1.3928	2.7803	1.3928	2.3216	2.3216		2.3012	3.9975	2.3012	3.2417	3.2417	1.0162
O7	1.2172	3.6000	3.6000	2.3012	3.9975	2.3012		4.6023	4.6023	2.5203	5.0137	2.5203
O8	3.6000	1.2172	3.6000	2.3012	2.3012	3.9975	4.6023		4.6023	2.5203	2.5203	5.0137
O9	3.6000	3.6000	1.2172	3.9975	2.3012	2.3012	4.6023	4.6023		5.0137	2.5203	2.5203
H10	2.0575	2.0575	3.7964	1.0162	3.2417	3.2417	2.5203	2.5203	5.0137		4.0816	4.0816
H11	3.7964	2.0575	2.0575	3.2417	1.0162	3.2417	5.0137	2.5203	2.5203	4.0816		4.0816
H12	2.0575	3.7964	2.0575	3.2417	3.2417	1.0162	2.5203	5.0137	2.5203	4.0816	4.0816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.098	C1	N4	H10	116.451
C1	N6	C3	127.098	C1	N6	H12	116.451
C2	N4	H10	116.451	C2	N5	C3	127.098
C2	N5	H11	116.451	C3	N5	H11	116.451
C3	N6	H12	116.451	N4	C1	N6	112.902
N4	C1	O7	123.549	N4	C2	N5	112.902
N4	C2	O8	123.549	N5	C2	O8	123.549
N5	C3	N6	112.902	N5	C3	O9	123.549
N6	C1	O7	123.549	N6	C3	O9	123.549

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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