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	hartrees
Energy at 0K	-504.854855
Energy at 298.15K	-504.862158
HF Energy	-503.379957
Nuclear repulsion energy	445.670000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3622	3516
2	A₁'	1882	1827
3	A₁'	998	969
4	A₁'	673	654
5	A₂'	1393	1353
6	A₂'	1263	1226
7	A₂'	621	603
8	A₂"	709	689
9	A₂"	664	645
10	A₂"	114	111
11	E'	3621	3515
11	E'	3621	3515
12	E'	1870	1815
12	E'	1870	1815
13	E'	1496	1452
13	E'	1496	1452
14	E'	1421	1380
14	E'	1421	1379
15	E'	1044	1013
15	E'	1043	1012
16	E'	519	504
16	E'	518	503
17	E'	388	377
17	E'	388	376
18	E"	730	709
18	E"	730	709
19	E"	591	574
19	E"	591	573
20	E"	142	138
20	E"	141	137

Atom	x (Å)	y (Å)
C1	1.246	0.719
C2	-1.246	0.719
C3	0.000	-1.438
N4	0.000	1.339
N5	-1.160	-0.669
N6	1.160	-0.669
O7	2.299	1.327
O8	-2.299	1.327
O9	0.000	-2.654
H10	0.000	2.355
H11	-2.039	-1.177
H12	2.039	-1.177

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4911	2.4911	1.3912	2.7771	1.3912	1.2162	3.5962	3.5962	2.0561	3.7932	2.0561
C2	2.4911		2.4911	1.3912	1.3912	2.7771	3.5962	1.2162	3.5962	2.0561	2.0561	3.7932
C3	2.4911	2.4911		2.7771	1.3912	1.3912	3.5962	3.5962	1.2162	3.7932	2.0561	2.0561
N4	1.3912	1.3912	2.7771		2.3191	2.3191	2.2988	2.2988	3.9934	1.0161	3.2391	3.2391
N5	2.7771	1.3912	1.3912	2.3191		2.3191	3.9934	2.2988	2.2989	3.2391	1.0161	3.2391
N6	1.3912	2.7771	1.3912	2.3191	2.3191		2.2988	3.9934	2.2989	3.2391	3.2391	1.0161
O7	1.2162	3.5962	3.5962	2.2988	3.9934	2.2988		4.5976	4.5976	2.5181	5.0094	2.5181
O8	3.5962	1.2162	3.5962	2.2988	2.2988	3.9934	4.5976		4.5976	2.5181	2.5181	5.0094
O9	3.5962	3.5962	1.2162	3.9934	2.2989	2.2989	4.5976	4.5976		5.0094	2.5181	2.5181
H10	2.0561	2.0561	3.7932	1.0161	3.2391	3.2391	2.5181	2.5181	5.0094		4.0789	4.0789
H11	3.7932	2.0561	2.0561	3.2391	1.0161	3.2391	5.0094	2.5181	2.5181	4.0789		4.0789
H12	2.0561	3.7932	2.0561	3.2391	3.2391	1.0161	2.5181	5.0094	2.5181	4.0789	4.0789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.089	C1	N4	H10	116.456
C1	N6	C3	127.089	C1	N6	H12	116.456
C2	N4	H10	116.456	C2	N5	C3	127.089
C2	N5	H11	116.456	C3	N5	H11	116.456
C3	N6	H12	116.456	N4	C1	N6	112.911
N4	C1	O7	123.544	N4	C2	N5	112.911
N4	C2	O8	123.544	N5	C2	O8	123.544
N5	C3	N6	112.911	N5	C3	O9	123.544
N6	C1	O7	123.544	N6	C3	O9	123.544

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

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

States and conformations

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