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	hartrees
Energy at 0K	-504.754772
Energy at 298.15K	-504.762197
HF Energy	-503.382961
Nuclear repulsion energy	447.229315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3665	3469	0.00
2	A₁'	1938	1834	0.00
3	A₁'	1013	959	0.00
4	A₁'	690	653	0.00
5	A₂'	1421	1345	0.00
6	A₂'	1297	1227	0.00
7	A₂'	639	605	0.00
8	A₂"	730	691	99.78
9	A₂"	668	632	385.19
10	A₂"	119	113	0.06
11	E'	3662	3467	164.71
11	E'	3662	3467	164.70
12	E'	1919	1816	1014.64
12	E'	1919	1816	1014.66
13	E'	1530	1448	403.65
13	E'	1530	1448	403.66
14	E'	1448	1371	46.50
14	E'	1448	1371	46.49
15	E'	1065	1008	15.64
15	E'	1065	1008	15.64
16	E'	529	501	23.17
16	E'	529	501	23.17
17	E'	398	377	29.76
17	E'	398	377	29.78
18	E"	747	707	0.00
18	E"	747	707	0.00
19	E"	597	565	0.00
19	E"	597	565	0.00
20	E"	144	137	0.00
20	E"	144	137	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.717
C2	-1.241	0.717
C3	0.000	-1.433
N4	0.000	1.337
N5	-1.158	-0.669
N6	1.158	-0.669
O7	2.289	1.321
O8	-2.289	1.321
O9	0.000	-2.643
H10	0.000	2.351
H11	-2.036	-1.175
H12	2.036	-1.175

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4827	2.4827	1.3877	2.7705	1.3877	1.2095	3.5816	3.5816	2.0519	3.7839	2.0519
C2	2.4827		2.4827	1.3877	1.3877	2.7705	3.5816	1.2095	3.5816	2.0519	2.0519	3.7839
C3	2.4827	2.4827		2.7705	1.3877	1.3877	3.5816	3.5816	1.2095	3.7839	2.0519	2.0519
N4	1.3877	1.3877	2.7705		2.3159	2.3159	2.2889	2.2889	3.9800	1.0135	3.2335	3.2335
N5	2.7705	1.3877	1.3877	2.3159		2.3159	3.9800	2.2889	2.2889	3.2335	1.0134	3.2335
N6	1.3877	2.7705	1.3877	2.3159	2.3159		2.2889	3.9800	2.2889	3.2335	3.2335	1.0134
O7	1.2095	3.5816	3.5816	2.2889	3.9800	2.2889		4.5777	4.5777	2.5095	4.9935	2.5095
O8	3.5816	1.2095	3.5816	2.2889	2.2889	3.9800	4.5777		4.5777	2.5095	2.5095	4.9935
O9	3.5816	3.5816	1.2095	3.9800	2.2889	2.2889	4.5777	4.5777		4.9935	2.5095	2.5095
H10	2.0519	2.0519	3.7839	1.0135	3.2335	3.2335	2.5095	2.5095	4.9935		4.0712	4.0712
H11	3.7839	2.0519	2.0519	3.2335	1.0134	3.2335	4.9935	2.5095	2.5095	4.0712		4.0712
H12	2.0519	3.7839	2.0519	3.2335	3.2335	1.0134	2.5095	4.9935	2.5095	4.0712	4.0712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.890	C1	N4	H10	116.555
C1	N6	C3	126.890	C1	N6	H12	116.555
C2	N4	H10	116.555	C2	N5	C3	126.890
C2	N5	H11	116.555	C3	N5	H11	116.555
C3	N6	H12	116.555	N4	C1	N6	113.110
N4	C1	O7	123.445	N4	C2	N5	113.110
N4	C2	O8	123.445	N5	C2	O8	123.445
N5	C3	N6	113.110	N5	C3	O9	123.445
N6	C1	O7	123.445	N6	C3	O9	123.445

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

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

States and conformations

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