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	hartrees
Energy at 0K	-505.831816
Energy at 298.15K	-505.839227
HF Energy	-505.343907
Nuclear repulsion energy	447.133426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3663	3663	0.00
2	A₁'	1854	1854	0.00
3	A₁'	997	997	0.00
4	A₁'	666	666	0.00
5	A₂'	1413	1413	0.00
6	A₂'	1218	1218	0.00
7	A₂'	631	631	0.00
8	A₂"	758	758	109.05
9	A₂"	672	672	292.52
10	A₂"	124	124	0.76
11	E'	3661	3661	134.04
11	E'	3661	3661	134.02
12	E'	1844	1844	941.83
12	E'	1844	1844	941.80
13	E'	1474	1474	250.63
13	E'	1474	1474	250.71
14	E'	1426	1426	143.85
14	E'	1426	1426	143.90
15	E'	1038	1038	15.02
15	E'	1038	1038	15.02
16	E'	519	519	26.00
16	E'	519	519	26.00
17	E'	392	392	24.37
17	E'	392	392	24.37
18	E"	753	753	0.00
18	E"	753	753	0.00
19	E"	598	598	0.00
19	E"	598	598	0.00
20	E"	141	141	0.00
20	E"	141	141	0.00

Atom	x (Å)	y (Å)
C1	1.244	0.718
C2	-1.244	0.718
C3	0.000	-1.437
N4	0.000	1.338
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.289	1.322
O8	-2.289	1.322
O9	0.000	-2.643
H10	0.000	2.346
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4886	2.4886	1.3900	2.7746	1.3900	1.2067	3.5847	3.5847	2.0491	3.7833	2.0491
C2	2.4886		2.4886	1.3900	1.3900	2.7746	3.5847	1.2067	3.5847	2.0491	2.0491	3.7833
C3	2.4886	2.4886		2.7746	1.3900	1.3900	3.5847	3.5847	1.2067	3.7833	2.0491	2.0491
N4	1.3900	1.3900	2.7746		2.3172	2.3172	2.2893	2.2893	3.9813	1.0086	3.2303	3.2303
N5	2.7746	1.3900	1.3900	2.3172		2.3172	3.9813	2.2893	2.2893	3.2303	1.0086	3.2303
N6	1.3900	2.7746	1.3900	2.3172	2.3172		2.2893	3.9813	2.2893	3.2303	3.2303	1.0086
O7	1.2067	3.5847	3.5847	2.2893	3.9813	2.2893		4.5786	4.5786	2.5082	4.9899	2.5082
O8	3.5847	1.2067	3.5847	2.2893	2.2893	3.9813	4.5786		4.5786	2.5082	2.5082	4.9899
O9	3.5847	3.5847	1.2067	3.9813	2.2893	2.2893	4.5786	4.5786		4.9899	2.5082	2.5082
H10	2.0491	2.0491	3.7833	1.0086	3.2303	3.2303	2.5082	2.5082	4.9899		4.0642	4.0642
H11	3.7833	2.0491	2.0491	3.2303	1.0086	3.2303	4.9899	2.5082	2.5082	4.0642		4.0642
H12	2.0491	3.7833	2.0491	3.2303	3.2303	1.0086	2.5082	4.9899	2.5082	4.0642	4.0642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.068	C1	N4	H10	116.466
C1	N6	C3	127.068	C1	N6	H12	116.466
C2	N4	H10	116.466	C2	N5	C3	127.068
C2	N5	H11	116.466	C3	N5	H11	116.466
C3	N6	H12	116.466	N4	C1	N6	112.932
N4	C1	O7	123.534	N4	C2	N5	112.932
N4	C2	O8	123.534	N5	C2	O8	123.534
N5	C3	N6	112.932	N5	C3	O9	123.534
N6	C1	O7	123.534	N6	C3	O9	123.534

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

using model chemistry: B2PLYP/6-311G*

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/6-311G*

States and conformations

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