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	hartrees
Energy at 0K	-96.474250
Energy at 298.15K	-96.481429
HF Energy	-96.474250
Nuclear repulsion energy	231.345198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3622	3498	0.00
2	A₁'	1838	1774	0.00
3	A₁'	968	934	0.00
4	A₁'	653	631	0.00
5	A₂'	1352	1306	0.00
6	A₂'	1204	1163	0.00
7	A₂'	616	595	0.00
8	A₂"	732	707	33.90
9	A₂"	640	618	347.67
10	A₂"	118	114	0.91
11	E'	3619	3495	156.37
11	E'	3619	3495	156.39
12	E'	1818	1756	1023.12
12	E'	1818	1756	1022.83
13	E'	1447	1397	311.85
13	E'	1447	1397	311.83
14	E'	1382	1334	89.57
14	E'	1382	1334	89.67
15	E'	1016	981	13.28
15	E'	1016	981	13.28
16	E'	502	485	26.95
16	E'	502	485	26.96
17	E'	382	369	23.96
17	E'	382	369	23.99
18	E"	730	705	0.00
18	E"	730	705	0.00
19	E"	562	542	0.00
19	E"	562	542	0.00
20	E"	139	134	0.00
20	E"	139	134	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	1.353
N5	-1.172	-0.677
N6	1.172	-0.677
O7	2.315	1.336
O8	-2.315	1.336
O9	0.000	-2.673
H10	0.000	2.373
H11	-2.055	-1.187
H12	2.055	-1.187

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5093	2.5093	1.4033	2.8018	1.4033	1.2242	3.6215	3.6215	2.0718	3.8219	2.0718
C2	2.5093		2.5093	1.4033	1.4033	2.8018	3.6215	1.2242	3.6215	2.0718	2.0718	3.8219
C3	2.5093	2.5093		2.8018	1.4033	1.4033	3.6215	3.6215	1.2242	3.8219	2.0718	2.0718
N4	1.4033	1.4033	2.8018		2.3436	2.3436	2.3148	2.3148	4.0259	1.0201	3.2670	3.2670
N5	2.8018	1.4033	1.4033	2.3436		2.3436	4.0260	2.3148	2.3148	3.2670	1.0201	3.2670
N6	1.4033	2.8018	1.4033	2.3436	2.3436		2.3148	4.0260	2.3148	3.2670	3.2670	1.0201
O7	1.2242	3.6215	3.6215	2.3148	4.0260	2.3148		4.6296	4.6296	2.5363	5.0460	2.5363
O8	3.6215	1.2242	3.6215	2.3148	2.3148	4.0260	4.6296		4.6296	2.5363	2.5363	5.0460
O9	3.6215	3.6215	1.2242	4.0259	2.3148	2.3148	4.6296	4.6296		5.0460	2.5363	2.5363
H10	2.0718	2.0718	3.8219	1.0201	3.2670	3.2670	2.5363	2.5363	5.0460		4.1104	4.1104
H11	3.8219	2.0718	2.0718	3.2670	1.0201	3.2670	5.0460	2.5363	2.5363	4.1104		4.1104
H12	2.0718	3.8219	2.0718	3.2670	3.2670	1.0201	2.5363	5.0460	2.5363	4.1104	4.1104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.769	C1	N4	H10	116.616
C1	N6	C3	126.769	C1	N6	H12	116.616
C2	N4	H10	116.616	C2	N5	C3	126.769
C2	N5	H11	116.616	C3	N5	H11	116.616
C3	N6	H12	116.616	N4	C1	N6	113.231
N4	C1	O7	123.384	N4	C2	N5	113.231
N4	C2	O8	123.384	N5	C2	O8	123.384
N5	C3	N6	113.231	N5	C3	O9	123.384
N6	C1	O7	123.384	N6	C3	O9	123.384

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

using model chemistry: B3LYP/CEP-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: B3LYP/CEP-31G*

States and conformations

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