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	hartrees
Energy at 0K	-504.825354
Energy at 298.15K	-504.832790
HF Energy	-503.431260
Nuclear repulsion energy	446.826703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3687	3528	0.00
2	A₁'	1934	1850	0.00
3	A₁'	1004	961	0.00
4	A₁'	683	653	0.00
5	A₂'	1409	1348	0.00
6	A₂'	1292	1236	0.00
7	A₂'	646	618	0.00
8	A₂"	768	735	76.90
9	A₂"	658	630	298.93
10	A₂"	109	104	0.26
11	E'	3686	3526	156.20
11	E'	3686	3526	156.20
12	E'	1917	1834	1018.37
12	E'	1917	1834	1018.43
13	E'	1526	1460	388.72
13	E'	1526	1460	388.82
14	E'	1436	1374	52.86
14	E'	1436	1374	52.90
15	E'	1060	1014	17.12
15	E'	1060	1014	17.12
16	E'	523	500	22.28
16	E'	523	500	22.30
17	E'	402	384	27.57
17	E'	402	384	27.59
18	E"	770	737	0.00
18	E"	770	737	0.00
19	E"	585	560	0.00
19	E"	585	560	0.00
20	E"	133	127	0.00
20	E"	133	127	0.00

Atom	x (Å)	y (Å)
C1	1.245	0.719
C2	-1.245	0.719
C3	0.000	-1.437
N4	0.000	1.341
N5	-1.161	-0.670
N6	1.161	-0.670
O7	2.289	1.321
O8	-2.289	1.321
O9	0.000	-2.643
H10	0.000	2.356
H11	-2.040	-1.178
H12	2.040	-1.178

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4892	2.4892	1.3915	2.7780	1.3915	1.2058	3.5844	3.5844	2.0564	3.7927	2.0564
C2	2.4892		2.4892	1.3915	1.3915	2.7780	3.5844	1.2058	3.5844	2.0564	2.0564	3.7927
C3	2.4892	2.4892		2.7780	1.3915	1.3915	3.5844	3.5844	1.2058	3.7927	2.0564	2.0564
N4	1.3915	1.3915	2.7780		2.3224	2.3224	2.2889	2.2889	3.9837	1.0147	3.2412	3.2412
N5	2.7780	1.3915	1.3915	2.3224		2.3224	3.9837	2.2889	2.2889	3.2412	1.0147	3.2412
N6	1.3915	2.7780	1.3915	2.3224	2.3224		2.2889	3.9837	2.2889	3.2412	3.2412	1.0147
O7	1.2058	3.5844	3.5844	2.2889	3.9837	2.2889		4.5776	4.5776	2.5116	4.9985	2.5116
O8	3.5844	1.2058	3.5844	2.2889	2.2889	3.9837	4.5776		4.5776	2.5116	2.5116	4.9985
O9	3.5844	3.5844	1.2058	3.9837	2.2889	2.2889	4.5776	4.5776		4.9985	2.5116	2.5116
H10	2.0564	2.0564	3.7927	1.0147	3.2412	3.2412	2.5116	2.5116	4.9985		4.0800	4.0800
H11	3.7927	2.0564	2.0564	3.2412	1.0147	3.2412	4.9985	2.5116	2.5116	4.0800		4.0800
H12	2.0564	3.7927	2.0564	3.2412	3.2412	1.0147	2.5116	4.9985	2.5116	4.0800	4.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.869	C1	N4	H10	116.566
C1	N6	C3	126.869	C1	N6	H12	116.566
C2	N4	H10	116.566	C2	N5	C3	126.869
C2	N5	H11	116.566	C3	N5	H11	116.566
C3	N6	H12	116.566	N4	C1	N6	113.131
N4	C1	O7	123.434	N4	C2	N5	113.131
N4	C2	O8	123.434	N5	C2	O8	123.434
N5	C3	N6	113.131	N5	C3	O9	123.434
N6	C1	O7	123.434	N6	C3	O9	123.434

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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