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	hartrees
Energy at 0K	-505.443856
Energy at 298.15K	-505.435816
HF Energy	-503.387801
Nuclear repulsion energy	452.803790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3866	3642	0.00
2	A₁'	2055	1937	0.00
3	A₁'	1078	1016	0.00
4	A₁'	730	688	0.00
5	A₂'	1538	1449	0.00
6	A₂'	1369	1290	0.00
7	A₂'	694	654	0.00
8	A₂"	859	810	264.83
9	A₂"	713	672	324.90
10	A₂"	151	142	1.56
11	E'	3862	3639	201.86
11	E'	3862	3639	201.86
12	E'	2028	1911	1254.82
12	E'	2028	1911	1254.82
13	E'	1623	1529	349.65
13	E'	1623	1529	349.65
14	E'	1550	1461	165.34
14	E'	1550	1461	165.34
15	E'	1127	1062	15.22
15	E'	1127	1062	15.22
16	E'	564	532	29.18
16	E'	564	532	29.18
17	E'	430	405	36.60
17	E'	430	405	36.60
18	E"	838	790	0.00
18	E"	838	790	0.00
19	E"	652	614	0.00
19	E"	652	614	0.00
20	E"	167	158	0.00
20	E"	167	158	0.00

Atom	x (Å)	y (Å)
C1	1.244	0.718
C2	-1.244	0.718
C3	0.000	-1.436
N4	0.000	1.335
N5	-1.156	-0.667
N6	1.156	-0.667
O7	2.298	1.327
O8	-2.298	1.327
O9	0.000	-2.654
H10	0.000	2.350
H11	-2.035	-1.175
H12	2.035	-1.175

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4872	2.4872	1.3881	2.7707	1.3881	1.2176	3.5936	3.5936	2.0516	3.7857	2.0516
C2	2.4872		2.4872	1.3881	1.3881	2.7707	3.5936	1.2176	3.5936	2.0516	2.0516	3.7857
C3	2.4872	2.4872		2.7707	1.3881	1.3881	3.5936	3.5936	1.2176	3.7857	2.0516	2.0516
N4	1.3881	1.3881	2.7707		2.3118	2.3118	2.2981	2.2981	3.9883	1.0150	3.2310	3.2310
N5	2.7707	1.3881	1.3881	2.3118		2.3118	3.9883	2.2981	2.2981	3.2310	1.0150	3.2310
N6	1.3881	2.7707	1.3881	2.3118	2.3118		2.2981	3.9883	2.2981	3.2310	3.2310	1.0150
O7	1.2176	3.5936	3.5936	2.2981	3.9883	2.2981		4.5962	4.5962	2.5155	5.0034	2.5155
O8	3.5936	1.2176	3.5936	2.2981	2.2981	3.9883	4.5962		4.5962	2.5155	2.5155	5.0034
O9	3.5936	3.5936	1.2176	3.9883	2.2981	2.2981	4.5962	4.5962		5.0034	2.5155	2.5155
H10	2.0516	2.0516	3.7857	1.0150	3.2310	3.2310	2.5155	2.5155	5.0034		4.0699	4.0699
H11	3.7857	2.0516	2.0516	3.2310	1.0150	3.2310	5.0034	2.5155	2.5155	4.0699		4.0699
H12	2.0516	3.7857	2.0516	3.2310	3.2310	1.0150	2.5155	5.0034	2.5155	4.0699	4.0699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.169	C1	N4	H10	116.916
C1	N6	C3	126.169	C1	N6	H12	116.916
C2	N4	H10	116.916	C2	N5	C3	126.169
C2	N5	H11	116.916	C3	N5	H11	116.916
C3	N6	H12	116.916	N4	C1	N6	113.831
N4	C1	O7	123.084	N4	C2	N5	113.831
N4	C2	O8	123.084	N5	C2	O8	123.084
N5	C3	N6	113.831	N5	C3	O9	123.084
N6	C1	O7	123.084	N6	C3	O9	123.084

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

using model chemistry: G2

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: G2

States and conformations

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