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	hartrees
Energy at 0K	-502.729012
Energy at 298.15K	-502.736715
HF Energy	-502.401163
Nuclear repulsion energy	442.391729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3588	3416	0.00
2	A₁'	1792	1706	0.00
3	A₁'	995	947	0.00
4	A₁'	648	617	0.00
5	A₂'	1440	1371	0.00
6	A₂'	1174	1118	0.00
7	A₂'	623	593	0.00
8	A₂"	868	826	419.45
9	A₂"	714	680	161.66
10	A₂"	168	160	2.57
11	E'	3585	3413	135.29
11	E'	3585	3413	135.30
12	E'	1786	1700	664.91
12	E'	1786	1700	664.90
13	E'	1438	1369	0.12
13	E'	1438	1369	0.12
14	E'	1404	1336	390.75
14	E'	1404	1336	390.74
15	E'	1021	972	9.20
15	E'	1021	972	9.20
16	E'	513	488	24.97
16	E'	513	488	24.96
17	E'	387	368	21.62
17	E'	387	368	21.63
18	E"	800	761	0.00
18	E"	800	761	0.00
19	E"	686	653	0.00
19	E"	686	653	0.00
20	E"	166	158	0.00
20	E"	166	158	0.00

Atom	x (Å)	y (Å)
C1	1.254	0.724
C2	-1.254	0.724
C3	0.000	-1.447
N4	0.000	1.344
N5	-1.164	-0.672
N6	1.164	-0.672
O7	2.321	1.340
O8	-2.321	1.340
O9	0.000	-2.680
H10	0.000	2.359
H11	-2.043	-1.179
H12	2.043	-1.179

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5071	2.5071	1.3986	2.7914	1.3986	1.2322	3.6269	3.6269	2.0601	3.8060	2.0601
C2	2.5071		2.5071	1.3986	1.3986	2.7914	3.6269	1.2322	3.6269	2.0601	2.0601	3.8060
C3	2.5071	2.5071		2.7914	1.3986	1.3986	3.6269	3.6269	1.2323	3.8060	2.0601	2.0601
N4	1.3986	1.3986	2.7914		2.3278	2.3278	2.3207	2.3207	4.0236	1.0146	3.2463	3.2463
N5	2.7914	1.3986	1.3986	2.3278		2.3278	4.0236	2.3207	2.3207	3.2463	1.0146	3.2463
N6	1.3986	2.7914	1.3986	2.3278	2.3278		2.3207	4.0236	2.3207	3.2463	3.2463	1.0146
O7	1.2322	3.6269	3.6269	2.3207	4.0236	2.3207		4.6414	4.6414	2.5344	5.0382	2.5344
O8	3.6269	1.2322	3.6269	2.3207	2.3207	4.0236	4.6414		4.6414	2.5344	2.5344	5.0382
O9	3.6269	3.6269	1.2323	4.0236	2.3207	2.3207	4.6414	4.6414		5.0382	2.5344	2.5344
H10	2.0601	2.0601	3.8060	1.0146	3.2463	3.2463	2.5344	2.5344	5.0382		4.0851	4.0851
H11	3.8060	2.0601	2.0601	3.2463	1.0146	3.2463	5.0382	2.5344	2.5344	4.0851		4.0851
H12	2.0601	3.8060	2.0601	3.2463	3.2463	1.0146	2.5344	5.0382	2.5344	4.0851	4.0851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.350	C1	N4	H10	116.325
C1	N6	C3	127.350	C1	N6	H12	116.325
C2	N4	H10	116.325	C2	N5	C3	127.350
C2	N5	H11	116.325	C3	N5	H11	116.325
C3	N6	H12	116.325	N4	C1	N6	112.650
N4	C1	O7	123.675	N4	C2	N5	112.650
N4	C2	O8	123.675	N5	C2	O8	123.675
N5	C3	N6	112.650	N5	C3	O9	123.675
N6	C1	O7	123.675	N6	C3	O9	123.675

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

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