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	hartrees
Energy at 0K	-503.468387
Energy at 298.15K	-503.476353
HF Energy	-503.468387
Nuclear repulsion energy	452.791219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3858	3513	0.00
2	A₁'	1996	1818	0.00
3	A₁'	1071	975	0.00
4	A₁'	725	660	0.00
5	A₂'	1517	1382	0.00
6	A₂'	1366	1244	0.00
7	A₂'	692	630	0.00
8	A₂"	859	782	153.66
9	A₂"	701	639	277.40
10	A₂"	143	130	3.14
11	E'	3855	3510	194.60
11	E'	3855	3510	194.60
12	E'	1970	1794	1341.26
12	E'	1970	1794	1341.26
13	E'	1612	1468	331.92
13	E'	1612	1468	331.92
14	E'	1526	1390	145.87
14	E'	1526	1390	145.87
15	E'	1115	1015	18.28
15	E'	1115	1015	18.28
16	E'	562	512	32.48
16	E'	562	512	32.48
17	E'	430	392	36.84
17	E'	430	392	36.84
18	E"	843	768	0.00
18	E"	843	768	0.00
19	E"	640	583	0.00
19	E"	640	583	0.00
20	E"	165	150	0.00
20	E"	165	150	0.00

Atom	x (Å)	y (Å)
C1	1.225	0.707
C2	-1.225	0.707
C3	0.000	-1.414
N4	0.000	1.332
N5	-1.153	-0.666
N6	1.153	-0.666
O7	2.254	1.302
O8	-2.254	1.302
O9	0.000	-2.603
H10	0.000	2.329
H11	-2.017	-1.165
H12	2.017	-1.165

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4493	2.4493	1.3747	2.7457	1.3747	1.1891	3.5296	3.5296	2.0328	3.7436	2.0328
C2	2.4493		2.4493	1.3747	1.3747	2.7457	3.5296	1.1891	3.5296	2.0328	2.0328	3.7436
C3	2.4493	2.4493		2.7457	1.3747	1.3747	3.5296	3.5296	1.1891	3.7436	2.0328	2.0328
N4	1.3747	1.3747	2.7457		2.3064	2.3064	2.2547	2.2547	3.9349	0.9979	3.2096	3.2096
N5	2.7457	1.3747	1.3747	2.3064		2.3064	3.9349	2.2547	2.2547	3.2096	0.9979	3.2096
N6	1.3747	2.7457	1.3747	2.3064	2.3064		2.2547	3.9349	2.2547	3.2096	3.2096	0.9979
O7	1.1891	3.5296	3.5296	2.2547	3.9349	2.2547		4.5090	4.5090	2.4777	4.9327	2.4777
O8	3.5296	1.1891	3.5296	2.2547	2.2547	3.9349	4.5090		4.5090	2.4777	2.4777	4.9327
O9	3.5296	3.5296	1.1891	3.9349	2.2547	2.2547	4.5090	4.5090		4.9327	2.4777	2.4777
H10	2.0328	2.0328	3.7436	0.9979	3.2096	3.2096	2.4777	2.4777	4.9327		4.0348	4.0348
H11	3.7436	2.0328	2.0328	3.2096	0.9979	3.2096	4.9327	2.4777	2.4777	4.0348		4.0348
H12	2.0328	3.7436	2.0328	3.2096	3.2096	0.9979	2.4777	4.9327	2.4777	4.0348	4.0348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	125.958	C1	N4	H10	117.021
C1	N6	C3	125.958	C1	N6	H12	117.021
C2	N4	H10	117.021	C2	N5	C3	125.958
C2	N5	H11	117.021	C3	N5	H11	117.021
C3	N6	H12	117.021	N4	C1	N6	114.042
N4	C1	O7	122.979	N4	C2	N5	114.042
N4	C2	O8	122.979	N5	C2	O8	122.979
N5	C3	N6	114.042	N5	C3	O9	122.979
N6	C1	O7	122.979	N6	C3	O9	122.979

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

using model chemistry: HF/aug-cc-pVDZ

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: HF/aug-cc-pVDZ

States and conformations

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