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	hartrees
Energy at 0K	-506.137269
Energy at 298.15K	-506.144674
HF Energy	-506.137269
Nuclear repulsion energy	446.251944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3647	3504	0.00
2	A₁'	1874	1801	0.00
3	A₁'	988	950	0.00
4	A₁'	668	642	0.00
5	A₂'	1369	1315	0.00
6	A₂'	1214	1166	0.00
7	A₂'	627	602	0.00
8	A₂"	739	710	92.66
9	A₂"	665	639	300.41
10	A₂"	129	124	1.12
11	E'	3645	3502	153.59
11	E'	3645	3502	153.59
12	E'	1853	1781	875.09
12	E'	1853	1781	875.15
13	E'	1466	1408	321.32
13	E'	1466	1408	321.28
14	E'	1402	1347	66.50
14	E'	1402	1347	66.50
15	E'	1026	985	10.02
15	E'	1026	985	10.02
16	E'	517	497	26.15
16	E'	517	497	26.15
17	E'	389	374	23.80
17	E'	389	374	23.80
18	E"	743	714	0.00
18	E"	743	714	0.00
19	E"	597	574	0.00
19	E"	597	574	0.00
20	E"	153	147	0.00
20	E"	153	147	0.00

Atom	x (Å)	y (Å)
C1	1.245	0.719
C2	-1.245	0.719
C3	0.000	-1.438
N4	0.000	1.340
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.294	1.325
O8	-2.294	1.325
O9	0.000	-2.649
H10	0.000	2.351
H11	-2.036	-1.176
H12	2.036	-1.176

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4902	2.4902	1.3914	2.7776	1.3914	1.2116	3.5910	3.5910	2.0530	3.7889	2.0530
C2	2.4902		2.4902	1.3914	1.3914	2.7776	3.5910	1.2116	3.5910	2.0530	2.0530	3.7889
C3	2.4902	2.4902		2.7776	1.3914	1.3914	3.5910	3.5910	1.2116	3.7889	2.0530	2.0530
N4	1.3914	1.3914	2.7776		2.3208	2.3208	2.2944	2.2944	3.9892	1.0113	3.2363	3.2363
N5	2.7776	1.3914	1.3914	2.3208		2.3208	3.9892	2.2944	2.2944	3.2363	1.0113	3.2363
N6	1.3914	2.7776	1.3914	2.3208	2.3208		2.2944	3.9892	2.2944	3.2363	3.2363	1.0113
O7	1.2116	3.5910	3.5910	2.2944	3.9892	2.2944		4.5888	4.5888	2.5136	5.0005	2.5136
O8	3.5910	1.2116	3.5910	2.2944	2.2944	3.9892	4.5888		4.5888	2.5136	2.5136	5.0005
O9	3.5910	3.5910	1.2116	3.9892	2.2944	2.2944	4.5888	4.5888		5.0005	2.5136	2.5136
H10	2.0530	2.0530	3.7889	1.0113	3.2363	3.2363	2.5136	2.5136	5.0005		4.0724	4.0724
H11	3.7889	2.0530	2.0530	3.2363	1.0113	3.2363	5.0005	2.5136	2.5136	4.0724		4.0724
H12	2.0530	3.7889	2.0530	3.2363	3.2363	1.0113	2.5136	5.0005	2.5136	4.0724	4.0724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.981	C1	N4	H10	116.510
C1	N6	C3	126.981	C1	N6	H12	116.510
C2	N4	H10	116.510	C2	N5	C3	126.981
C2	N5	H11	116.510	C3	N5	H11	116.510
C3	N6	H12	116.510	N4	C1	N6	113.019
N4	C1	O7	123.490	N4	C2	N5	113.019
N4	C2	O8	123.490	N5	C2	O8	123.490
N5	C3	N6	113.019	N5	C3	O9	123.490
N6	C1	O7	123.490	N6	C3	O9	123.490

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

using model chemistry: B3LYPultrafine/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: B3LYPultrafine/6-31G**

States and conformations

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