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	hartrees
Energy at 0K	-506.318090
Energy at 298.15K	-506.325466
HF Energy	-506.318090
Nuclear repulsion energy	447.377153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3618	3493	0.00
2	A₁'	1842	1778	0.00
3	A₁'	987	953	0.00
4	A₁'	664	641	0.00
5	A₂'	1392	1344	0.00
6	A₂'	1186	1145	0.00
7	A₂'	637	615	0.00
8	A₂"	739	713	85.89
9	A₂"	647	625	279.55
10	A₂"	131	127	2.34
11	E'	3615	3490	159.22
11	E'	3615	3490	159.24
12	E'	1816	1753	1020.27
12	E'	1816	1753	1020.23
13	E'	1451	1401	228.74
13	E'	1451	1401	228.66
14	E'	1409	1360	203.52
14	E'	1409	1360	203.55
15	E'	1026	991	18.80
15	E'	1026	991	18.80
16	E'	519	501	30.42
16	E'	519	501	30.42
17	E'	392	379	24.07
17	E'	392	379	24.07
18	E"	739	714	0.00
18	E"	739	714	0.00
19	E"	571	551	0.00
19	E"	571	551	0.00
20	E"	141	136	0.00
20	E"	141	136	0.00

Atom	x (Å)	y (Å)
C1	1.243	0.717
C2	-1.243	0.717
C3	0.000	-1.435
N4	0.000	1.339
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.287	1.320
O8	-2.287	1.320
O9	0.000	-2.640
H10	0.000	2.349
H11	-2.035	-1.175
H12	2.035	-1.175

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4852	2.4852	1.3894	2.7739	1.3894	1.2056	3.5804	3.5804	2.0512	3.7842	2.0512
C2	2.4852		2.4852	1.3894	1.3894	2.7739	3.5804	1.2056	3.5804	2.0512	2.0512	3.7842
C3	2.4852	2.4852		2.7739	1.3894	1.3894	3.5804	3.5804	1.2056	3.7842	2.0512	2.0512
N4	1.3894	1.3894	2.7739		2.3193	2.3193	2.2867	2.2867	3.9794	1.0103	3.2340	3.2340
N5	2.7739	1.3894	1.3894	2.3193		2.3193	3.9794	2.2867	2.2867	3.2340	1.0103	3.2340
N6	1.3894	2.7739	1.3894	2.3193	2.3193		2.2867	3.9794	2.2867	3.2340	3.2340	1.0103
O7	1.2056	3.5804	3.5804	2.2867	3.9794	2.2867		4.5733	4.5733	2.5076	4.9898	2.5076
O8	3.5804	1.2056	3.5804	2.2867	2.2867	3.9794	4.5733		4.5733	2.5076	2.5076	4.9898
O9	3.5804	3.5804	1.2056	3.9794	2.2867	2.2867	4.5733	4.5733		4.9898	2.5076	2.5076
H10	2.0512	2.0512	3.7842	1.0103	3.2340	3.2340	2.5076	2.5076	4.9898		4.0692	4.0692
H11	3.7842	2.0512	2.0512	3.2340	1.0103	3.2340	4.9898	2.5076	2.5076	4.0692		4.0692
H12	2.0512	3.7842	2.0512	3.2340	3.2340	1.0103	2.5076	4.9898	2.5076	4.0692	4.0692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.846	C1	N4	H10	116.577
C1	N6	C3	126.846	C1	N6	H12	116.577
C2	N4	H10	116.577	C2	N5	C3	126.846
C2	N5	H11	116.577	C3	N5	H11	116.577
C3	N6	H12	116.577	N4	C1	N6	113.154
N4	C1	O7	123.423	N4	C2	N5	113.154
N4	C2	O8	123.423	N5	C2	O8	123.423
N5	C3	N6	113.154	N5	C3	O9	123.423
N6	C1	O7	123.423	N6	C3	O9	123.423

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

using model chemistry: B3LYP/TZVP

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/TZVP

States and conformations

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