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	hartrees
Energy at 0K	-505.414378
Energy at 298.15K	-505.422218
HF Energy	-505.414378
Nuclear repulsion energy	444.814738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3685	3523	0.00
2	A₁'	1822	1742	0.00
3	A₁'	1015	971	0.00
4	A₁'	681	651	0.00
5	A₂'	1446	1382	0.00
6	A₂'	1297	1240	0.00
7	A₂'	631	603	0.00
8	A₂"	862	824	450.84
9	A₂"	714	682	148.60
10	A₂"	177	169	7.63
11	E'	3682	3519	158.65
11	E'	3682	3519	158.64
12	E'	1815	1735	885.55
12	E'	1815	1735	885.48
13	E'	1484	1419	288.98
13	E'	1484	1419	288.93
14	E'	1446	1382	67.29
14	E'	1446	1382	67.28
15	E'	1060	1013	5.09
15	E'	1060	1013	5.09
16	E'	532	509	25.27
16	E'	532	509	25.28
17	E'	392	374	25.71
17	E'	392	374	25.71
18	E"	799	764	0.00
18	E"	799	764	0.00
19	E"	689	658	0.00
19	E"	689	658	0.00
20	E"	181	173	0.00
20	E"	181	173	0.00

Atom	x (Å)	y (Å)
C1	1.240	0.716
C2	-1.240	0.716
C3	0.000	-1.432
N4	0.000	1.339
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.308	1.332
O8	-2.308	1.332
O9	0.000	-2.665
H10	0.000	2.349
H11	-2.034	-1.174
H12	2.034	-1.174

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4805	2.4805	1.3881	2.7714	1.3881	1.2324	3.6010	3.6010	2.0504	3.7810	2.0504
C2	2.4805		2.4805	1.3881	1.3881	2.7714	3.6010	1.2324	3.6010	2.0504	2.0504	3.7810
C3	2.4805	2.4805		2.7714	1.3881	1.3881	3.6010	3.6010	1.2324	3.7810	2.0504	2.0504
N4	1.3881	1.3881	2.7714		2.3198	2.3198	2.3076	2.3076	4.0039	1.0095	3.2337	3.2337
N5	2.7714	1.3881	1.3881	2.3198		2.3198	4.0039	2.3076	2.3076	3.2337	1.0095	3.2337
N6	1.3881	2.7714	1.3881	2.3198	2.3198		2.3076	4.0039	2.3076	3.2337	3.2337	1.0095
O7	1.2324	3.6010	3.6010	2.3076	4.0039	2.3076		4.6152	4.6152	2.5216	5.0134	2.5216
O8	3.6010	1.2324	3.6010	2.3076	2.3076	4.0039	4.6152		4.6152	2.5216	2.5216	5.0134
O9	3.6010	3.6010	1.2324	4.0039	2.3076	2.3076	4.6152	4.6152		5.0134	2.5216	2.5216
H10	2.0504	2.0504	3.7810	1.0095	3.2337	3.2337	2.5216	2.5216	5.0134		4.0683	4.0683
H11	3.7810	2.0504	2.0504	3.2337	1.0095	3.2337	5.0134	2.5216	2.5216	4.0683		4.0683
H12	2.0504	3.7810	2.0504	3.2337	3.2337	1.0095	2.5216	5.0134	2.5216	4.0683	4.0683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.640	C1	N4	H10	116.680
C1	N6	C3	126.640	C1	N6	H12	116.680
C2	N4	H10	116.680	C2	N5	C3	126.640
C2	N5	H11	116.680	C3	N5	H11	116.680
C3	N6	H12	116.680	N4	C1	N6	113.360
N4	C1	O7	123.320	N4	C2	N5	113.360
N4	C2	O8	123.320	N5	C2	O8	123.320
N5	C3	N6	113.360	N5	C3	O9	123.320
N6	C1	O7	123.320	N6	C3	O9	123.320

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

using model chemistry: PBE1PBE/6-31G

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: PBE1PBE/6-31G

States and conformations

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