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	hartrees
Energy at 0K	-498.649195
Energy at 298.15K
HF Energy	-498.458229
Nuclear repulsion energy	429.394773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3808	3808	0.00
2	A₁'	1881	1881	0.00
3	A₁'	941	941	0.00
4	A₁'	648	648	0.00
5	A₂'	1437	1437	0.00
6	A₂'	1185	1185	0.00
7	A₂'	573	573	0.00
8	A₂"	641	641	2.73
9	A₂"	553	553	399.94
10	A₂"	32i	32i	10.66
11	E'	3807	3807	46.40
11	E'	3807	3807	46.40
12	E'	1894	1894	338.48
12	E'	1894	1894	338.49
13	E'	1480	1480	72.20
13	E'	1480	1480	72.20
14	E'	1404	1404	299.13
14	E'	1404	1404	299.13
15	E'	1017	1017	6.65
15	E'	1017	1017	6.65
16	E'	488	488	10.27
16	E'	488	488	10.27
17	E'	357	357	12.71
17	E'	357	357	12.71
18	E"	633	633	0.00
18	E"	633	633	0.00
19	E"	509	509	0.00
19	E"	509	509	0.00
20	E"	74	74	0.00
20	E"	74	74	0.00

Atom	x (Å)	y (Å)
C1	1.306	0.754
C2	-1.306	0.754
C3	0.000	-1.508
N4	0.000	1.383
N5	-1.197	-0.691
N6	1.197	-0.691
O7	2.390	1.380
O8	-2.390	1.380
O9	0.000	-2.760
H10	0.000	2.424
H11	-2.099	-1.212
H12	2.099	-1.212

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.6122	2.6122	1.4495	2.8908	1.4495	1.2515	3.7486	3.7486	2.1198	3.9319	2.1198
C2	2.6122		2.6122	1.4495	1.4495	2.8908	3.7486	1.2515	3.7486	2.1198	2.1198	3.9319
C3	2.6122	2.6122		2.8908	1.4495	1.4495	3.7486	3.7486	1.2515	3.9319	2.1198	2.1198
N4	1.4495	1.4495	2.8908		2.3949	2.3949	2.3899	2.3899	4.1424	1.0410	3.3373	3.3373
N5	2.8908	1.4495	1.4495	2.3949		2.3949	4.1423	2.3899	2.3899	3.3373	1.0410	3.3373
N6	1.4495	2.8908	1.4495	2.3949	2.3949		2.3899	4.1423	2.3899	3.3373	3.3373	1.0410
O7	1.2515	3.7486	3.7486	2.3899	4.1423	2.3899		4.7798	4.7798	2.6080	5.1834	2.6080
O8	3.7486	1.2515	3.7486	2.3899	2.3899	4.1423	4.7798		4.7798	2.6080	2.6080	5.1834
O9	3.7486	3.7486	1.2515	4.1424	2.3899	2.3899	4.7798	4.7798		5.1834	2.6080	2.6080
H10	2.1198	2.1198	3.9319	1.0410	3.3373	3.3373	2.6080	2.6080	5.1834		4.1980	4.1980
H11	3.9319	2.1198	2.1198	3.3373	1.0410	3.3373	5.1834	2.6080	2.6080	4.1980		4.1980
H12	2.1198	3.9319	2.1198	3.3373	3.3373	1.0410	2.6080	5.1834	2.6080	4.1980	4.1980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	128.595	C1	N4	H10	115.702
C1	N6	C3	128.595	C1	N6	H12	115.702
C2	N4	H10	115.702	C2	N5	C3	128.595
C2	N5	H11	115.702	C3	N5	H11	115.702
C3	N6	H12	115.702	N4	C1	N6	111.405
N4	C1	O7	124.298	N4	C2	N5	111.405
N4	C2	O8	124.298	N5	C2	O8	124.298
N5	C3	N6	111.405	N5	C3	O9	124.298
N6	C1	O7	124.298	N6	C3	O9	124.298

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

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

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/STO-3G

States and conformations

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