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	hartrees
Energy at 0K	-503.611480
Energy at 298.15K	-503.618933
HF Energy	-503.611480
Nuclear repulsion energy	448.087378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3522	3483	0.00
2	A₁'	1827	1806	0.00
3	A₁'	979	968	0.00
4	A₁'	664	657	0.00
5	A₂'	1306	1291	0.00
6	A₂'	1240	1226	0.00
7	A₂'	601	594	0.00
8	A₂"	755	746	108.70
9	A₂"	664	656	190.69
10	A₂"	141	140	5.14
11	E'	3519	3479	178.07
11	E'	3519	3479	178.06
12	E'	1805	1785	938.09
12	E'	1805	1785	938.22
13	E'	1463	1447	306.03
13	E'	1463	1447	306.00
14	E'	1344	1329	9.71
14	E'	1344	1329	9.72
15	E'	1005	994	5.96
15	E'	1005	994	5.95
16	E'	505	499	22.91
16	E'	505	499	22.91
17	E'	379	374	25.47
17	E'	379	374	25.46
18	E"	743	735	0.00
18	E"	743	735	0.00
19	E"	610	603	0.00
19	E"	610	603	0.00
20	E"	162	160	0.00
20	E"	162	160	0.00

Atom	x (Å)	y (Å)
C1	1.234	0.712
C2	-1.234	0.712
C3	0.000	-1.425
N4	0.000	1.331
N5	-1.153	-0.666
N6	1.153	-0.666
O7	2.286	1.320
O8	-2.286	1.320
O9	0.000	-2.639
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		2.4679	2.4679	1.3805	2.7563	1.3805	1.2144	3.5716	3.5716	2.0542	3.7796	2.0542
C2	2.4679		2.4679	1.3805	1.3805	2.7563	3.5716	1.2144	3.5716	2.0542	2.0542	3.7796
C3	2.4679	2.4679		2.7563	1.3805	1.3805	3.5716	3.5716	1.2144	3.7796	2.0542	2.0542
N4	1.3805	1.3805	2.7563		2.3061	2.3061	2.2857	2.2857	3.9707	1.0233	3.2331	3.2331
N5	2.7563	1.3805	1.3805	2.3061		2.3061	3.9707	2.2857	2.2857	3.2331	1.0233	3.2331
N6	1.3805	2.7563	1.3805	2.3061	2.3061		2.2857	3.9707	2.2857	3.2331	3.2331	1.0233
O7	1.2144	3.5716	3.5716	2.2857	3.9707	2.2857		4.5713	4.5713	2.5091	4.9940	2.5091
O8	3.5716	1.2144	3.5716	2.2857	2.2857	3.9707	4.5713		4.5713	2.5091	2.5091	4.9940
O9	3.5716	3.5716	1.2144	3.9707	2.2857	2.2857	4.5713	4.5713		4.9940	2.5091	2.5091
H10	2.0542	2.0542	3.7796	1.0233	3.2331	3.2331	2.5091	2.5091	4.9940		4.0785	4.0785
H11	3.7796	2.0542	2.0542	3.2331	1.0233	3.2331	4.9940	2.5091	2.5091	4.0785		4.0785
H12	2.0542	3.7796	2.0542	3.2331	3.2331	1.0233	2.5091	4.9940	2.5091	4.0785	4.0785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.716	C1	N4	H10	116.642
C1	N6	C3	126.716	C1	N6	H12	116.642
C2	N4	H10	116.642	C2	N5	C3	126.716
C2	N5	H11	116.642	C3	N5	H11	116.642
C3	N6	H12	116.642	N4	C1	N6	113.284
N4	C1	O7	123.358	N4	C2	N5	113.284
N4	C2	O8	123.358	N5	C2	O8	123.358
N5	C3	N6	113.284	N5	C3	O9	123.358
N6	C1	O7	123.358	N6	C3	O9	123.358

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

using model chemistry: LSDA/aug-cc-pVDZ

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: LSDA/aug-cc-pVDZ

States and conformations

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