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	hartrees
Energy at 0K	-504.451544
Energy at 298.15K	-504.459314
HF Energy	-503.387084
Nuclear repulsion energy	451.178382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3798	3508	0.00
2	A₁'	2011	1858	0.00
3	A₁'	1053	973	0.00
4	A₁'	718	663	0.00
5	A₂'	1485	1371	0.00
6	A₂'	1351	1248	0.00
7	A₂'	669	618	0.00
8	A₂"	807	745	214.50
9	A₂"	701	648	323.05
10	A₂"	142	131	0.99
11	E'	3794	3505	198.74
11	E'	3794	3505	198.74
12	E'	1987	1835	1148.26
12	E'	1987	1835	1148.27
13	E'	1592	1471	403.12
13	E'	1592	1471	403.13
14	E'	1507	1392	75.44
14	E'	1507	1392	75.44
15	E'	1107	1022	13.13
15	E'	1107	1022	13.13
16	E'	551	509	25.34
16	E'	551	509	25.34
17	E'	416	385	33.46
17	E'	416	385	33.48
18	E"	801	740	0.00
18	E"	801	740	0.00
19	E"	637	589	0.00
19	E"	637	589	0.00
20	E"	161	148	0.00
20	E"	161	148	0.00

Atom	x (Å)	y (Å)
C1	1.231	0.710
C2	-1.231	0.710
C3	0.000	-1.421
N4	0.000	1.328
N5	-1.150	-0.664
N6	1.150	-0.664
O7	2.267	1.309
O8	-2.267	1.309
O9	0.000	-2.618
H10	0.000	2.332
H11	-2.019	-1.166
H12	2.019	-1.166

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4610	2.4610	1.3769	2.7491	1.3769	1.1970	3.5484	3.5484	2.0355	3.7527	2.0355
C2	2.4610		2.4610	1.3769	1.3769	2.7491	3.5484	1.1970	3.5484	2.0355	2.0355	3.7527
C3	2.4610	2.4610		2.7491	1.3769	1.3769	3.5484	3.5484	1.1970	3.7527	2.0355	2.0355
N4	1.3769	1.3769	2.7491		2.3006	2.3006	2.2672	2.2672	3.9461	1.0036	3.2092	3.2092
N5	2.7491	1.3769	1.3769	2.3006		2.3006	3.9461	2.2672	2.2672	3.2092	1.0036	3.2092
N6	1.3769	2.7491	1.3769	2.3006	2.3006		2.2672	3.9461	2.2672	3.2092	3.2092	1.0036
O7	1.1970	3.5484	3.5484	2.2672	3.9461	2.2672		4.5342	4.5342	2.4872	4.9497	2.4872
O8	3.5484	1.1970	3.5484	2.2672	2.2672	3.9461	4.5342		4.5342	2.4872	2.4872	4.9497
O9	3.5484	3.5484	1.1970	3.9461	2.2672	2.2672	4.5342	4.5342		4.9497	2.4872	2.4872
H10	2.0355	2.0355	3.7527	1.0036	3.2092	3.2092	2.4872	2.4872	4.9497		4.0389	4.0389
H11	3.7527	2.0355	2.0355	3.2092	1.0036	3.2092	4.9497	2.4872	2.4872	4.0389		4.0389
H12	2.0355	3.7527	2.0355	3.2092	3.2092	1.0036	2.4872	4.9497	2.4872	4.0389	4.0389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.678	C1	N4	H10	116.661
C1	N6	C3	126.678	C1	N6	H12	116.661
C2	N4	H10	116.661	C2	N5	C3	126.678
C2	N5	H11	116.661	C3	N5	H11	116.661
C3	N6	H12	116.661	N4	C1	N6	113.322
N4	C1	O7	123.339	N4	C2	N5	113.322
N4	C2	O8	123.339	N5	C2	O8	123.339
N5	C3	N6	113.322	N5	C3	O9	123.339
N6	C1	O7	123.339	N6	C3	O9	123.339

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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