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	hartrees
Energy at 0K	-503.325902
Energy at 298.15K	-503.333624
HF Energy	-503.325902
Nuclear repulsion energy	443.323282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3575	3449	0.00
2	A₁'	1815	1751	0.00
3	A₁'	992	957	0.00
4	A₁'	653	630	0.00
5	A₂'	1433	1383	0.00
6	A₂'	1175	1134	0.00
7	A₂'	622	600	0.00
8	A₂"	877	846	397.83
9	A₂"	711	686	161.59
10	A₂"	171	165	3.36
11	E'	3571	3446	130.64
11	E'	3571	3446	130.65
12	E'	1799	1736	686.21
12	E'	1799	1736	686.20
13	E'	1441	1390	5.28
13	E'	1441	1390	5.27
14	E'	1403	1354	376.92
14	E'	1403	1354	376.88
15	E'	1023	987	6.37
15	E'	1023	987	6.37
16	E'	512	494	26.40
16	E'	512	494	26.40
17	E'	387	374	21.46
17	E'	387	374	21.46
18	E"	806	777	0.00
18	E"	806	777	0.00
19	E"	685	661	0.00
19	E"	685	661	0.00
20	E"	168	162	0.00
20	E"	168	162	0.00

Atom	x (Å)	y (Å)
C1	1.251	0.722
C2	-1.251	0.722
C3	0.000	-1.445
N4	0.000	1.343
N5	-1.163	-0.671
N6	1.163	-0.671
O7	2.314	1.336
O8	-2.314	1.336
O9	0.000	-2.672
H10	0.000	2.358
H11	-2.042	-1.179
H12	2.042	-1.179

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5022	2.5022	1.3965	2.7874	1.3965	1.2276	3.6178	3.6178	2.0595	3.8029	2.0595
C2	2.5022		2.5022	1.3965	1.3965	2.7874	3.6178	1.2276	3.6178	2.0595	2.0595	3.8029
C3	2.5022	2.5022		2.7874	1.3965	1.3965	3.6178	3.6178	1.2276	3.8029	2.0595	2.0595
N4	1.3965	1.3965	2.7874		2.3256	2.3256	2.3143	2.3143	4.0150	1.0155	3.2451	3.2451
N5	2.7874	1.3965	1.3965	2.3256		2.3256	4.0150	2.3143	2.3143	3.2451	1.0155	3.2451
N6	1.3965	2.7874	1.3965	2.3256	2.3256		2.3143	4.0150	2.3143	3.2451	3.2451	1.0155
O7	1.2276	3.6178	3.6178	2.3143	4.0150	2.3143		4.6285	4.6285	2.5299	5.0305	2.5299
O8	3.6178	1.2276	3.6178	2.3143	2.3143	4.0150	4.6285		4.6285	2.5299	2.5299	5.0305
O9	3.6178	3.6178	1.2276	4.0150	2.3143	2.3143	4.6285	4.6285		5.0305	2.5299	2.5299
H10	2.0595	2.0595	3.8029	1.0155	3.2451	3.2451	2.5299	2.5299	5.0305		4.0846	4.0846
H11	3.8029	2.0595	2.0595	3.2451	1.0155	3.2451	5.0305	2.5299	2.5299	4.0846		4.0846
H12	2.0595	3.8029	2.0595	3.2451	3.2451	1.0155	2.5299	5.0305	2.5299	4.0846	4.0846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.252	C1	N4	H10	116.374
C1	N6	C3	127.252	C1	N6	H12	116.374
C2	N4	H10	116.374	C2	N5	C3	127.252
C2	N5	H11	116.374	C3	N5	H11	116.374
C3	N6	H12	116.374	N4	C1	N6	112.748
N4	C1	O7	123.626	N4	C2	N5	112.748
N4	C2	O8	123.626	N5	C2	O8	123.626
N5	C3	N6	112.748	N5	C3	O9	123.626
N6	C1	O7	123.626	N6	C3	O9	123.626

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

using model chemistry: B3LYP/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: B3LYP/3-21G

States and conformations

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