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	hartrees
Energy at 0K	-505.742126
Energy at 298.15K	-505.749369
HF Energy	-505.742126
Nuclear repulsion energy	444.387365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3553	3521	0.00
2	A₁'	1805	1789	0.00
3	A₁'	962	953	0.00
4	A₁'	645	639	0.00
5	A₂'	1329	1317	0.00
6	A₂'	1154	1144	0.00
7	A₂'	608	603	0.00
8	A₂"	729	722	71.28
9	A₂"	651	645	246.39
10	A₂"	122	121	1.69
11	E'	3551	3518	134.65
11	E'	3551	3518	134.64
12	E'	1787	1771	838.03
12	E'	1787	1771	837.91
13	E'	1410	1397	271.51
13	E'	1410	1397	271.52
14	E'	1358	1346	79.51
14	E'	1358	1346	79.54
15	E'	995	986	10.66
15	E'	995	986	10.66
16	E'	500	495	25.23
16	E'	500	495	25.24
17	E'	378	375	20.25
17	E'	378	375	20.25
18	E"	725	719	0.00
18	E"	725	719	0.00
19	E"	578	573	0.00
19	E"	578	573	0.00
20	E"	142	141	0.00
20	E"	142	141	0.00

Atom	x (Å)	y (Å)
C1	1.253	0.723
C2	-1.253	0.723
C3	0.000	-1.446
N4	0.000	1.343
N5	-1.163	-0.671
N6	1.163	-0.671
O7	2.305	1.331
O8	-2.305	1.331
O9	0.000	-2.662
H10	0.000	2.360
H11	-2.044	-1.180
H12	2.044	-1.180

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5052	2.5052	1.3974	2.7891	1.3974	1.2153	3.6092	3.6092	2.0613	3.8066	2.0613
C2	2.5052		2.5052	1.3974	1.3974	2.7891	3.6092	1.2153	3.6092	2.0613	2.0613	3.8066
C3	2.5052	2.5052		2.7891	1.3974	1.3974	3.6092	3.6092	1.2153	3.8066	2.0613	2.0613
N4	1.3974	1.3974	2.7891		2.3257	2.3257	2.3051	2.3051	4.0044	1.0175	3.2470	3.2470
N5	2.7891	1.3974	1.3974	2.3257		2.3257	4.0044	2.3051	2.3051	3.2470	1.0175	3.2470
N6	1.3974	2.7891	1.3974	2.3257	2.3257		2.3051	4.0044	2.3051	3.2470	3.2470	1.0175
O7	1.2153	3.6092	3.6092	2.3051	4.0044	2.3051		4.6101	4.6101	2.5245	5.0219	2.5245
O8	3.6092	1.2153	3.6092	2.3051	2.3051	4.0044	4.6101		4.6101	2.5245	2.5245	5.0219
O9	3.6092	3.6092	1.2153	4.0044	2.3051	2.3051	4.6101	4.6101		5.0219	2.5245	2.5245
H10	2.0613	2.0613	3.8066	1.0175	3.2470	3.2470	2.5245	2.5245	5.0219		4.0881	4.0881
H11	3.8066	2.0613	2.0613	3.2470	1.0175	3.2470	5.0219	2.5245	2.5245	4.0881		4.0881
H12	2.0613	3.8066	2.0613	3.2470	3.2470	1.0175	2.5245	5.0219	2.5245	4.0881	4.0881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.367	C1	N4	H10	116.317
C1	N6	C3	127.367	C1	N6	H12	116.317
C2	N4	H10	116.317	C2	N5	C3	127.367
C2	N5	H11	116.317	C3	N5	H11	116.317
C3	N6	H12	116.317	N4	C1	N6	112.633
N4	C1	O7	123.683	N4	C2	N5	112.633
N4	C2	O8	123.683	N5	C2	O8	123.683
N5	C3	N6	112.633	N5	C3	O9	123.683
N6	C1	O7	123.683	N6	C3	O9	123.683

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

using model chemistry: PBEPBE/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: PBEPBE/6-311G**

States and conformations

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