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	hartrees
Energy at 0K	-505.724788
Energy at 298.15K	-505.732002
HF Energy	-505.242907
Nuclear repulsion energy	446.154311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3660	3481	0.00
2	A₁'	1834	1744	0.00
3	A₁'	991	942	0.00
4	A₁'	666	634	0.00
5	A₂'	1392	1323	0.00
6	A₂'	1235	1175	0.00
7	A₂'	625	595	0.00
8	A₂"	688	654	0.76
9	A₂"	632	601	373.93
10	A₂"	86	82	0.11
11	E'	3658	3479	173.23
11	E'	3658	3479	173.22
12	E'	1819	1730	1062.19
12	E'	1819	1729	1062.24
13	E'	1472	1400	317.97
13	E'	1472	1400	318.13
14	E'	1412	1343	98.81
14	E'	1412	1343	98.95
15	E'	1036	986	17.89
15	E'	1036	986	17.90
16	E'	518	493	25.90
16	E'	518	493	25.90
17	E'	388	369	25.54
17	E'	388	369	25.54
18	E"	728	692	0.00
18	E"	728	692	0.00
19	E"	568	541	0.00
19	E"	568	541	0.00
20	E"	139	132	0.00
20	E"	139	132	0.00

Atom	x (Å)	y (Å)
C1	1.242	0.717
C2	-1.242	0.717
C3	0.000	-1.434
N4	0.000	1.340
N5	-1.161	-0.670
N6	1.161	-0.670
O7	2.296	1.325
O8	-2.296	1.325
O9	0.000	-2.651
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		2.4839	2.4839	1.3895	2.7742	1.3895	1.2167	3.5895	3.5895	2.0526	3.7853	2.0526
C2	2.4839		2.4839	1.3895	1.3895	2.7742	3.5895	1.2167	3.5895	2.0526	2.0526	3.7853
C3	2.4839	2.4839		2.7742	1.3895	1.3895	3.5895	3.5895	1.2167	3.7853	2.0526	2.0526
N4	1.3895	1.3895	2.7742		2.3212	2.3212	2.2957	2.2957	3.9910	1.0111	3.2366	3.2366
N5	2.7742	1.3895	1.3895	2.3212		2.3212	3.9910	2.2957	2.2957	3.2366	1.0111	3.2366
N6	1.3895	2.7742	1.3895	2.3212	2.3212		2.2957	3.9910	2.2957	3.2366	3.2366	1.0111
O7	1.2167	3.5895	3.5895	2.2957	3.9910	2.2957		4.5913	4.5913	2.5144	5.0021	2.5144
O8	3.5895	1.2167	3.5895	2.2957	2.2957	3.9910	4.5913		4.5913	2.5144	2.5144	5.0021
O9	3.5895	3.5895	1.2167	3.9910	2.2957	2.2957	4.5913	4.5913		5.0021	2.5144	2.5144
H10	2.0526	2.0526	3.7853	1.0111	3.2366	3.2366	2.5144	2.5144	5.0021		4.0725	4.0725
H11	3.7853	2.0526	2.0526	3.2366	1.0111	3.2366	5.0021	2.5144	2.5144	4.0725		4.0725
H12	2.0526	3.7853	2.0526	3.2366	3.2366	1.0111	2.5144	5.0021	2.5144	4.0725	4.0725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.712	C1	N4	H10	116.644
C1	N6	C3	126.712	C1	N6	H12	116.644
C2	N4	H10	116.644	C2	N5	C3	126.712
C2	N5	H11	116.644	C3	N5	H11	116.644
C3	N6	H12	116.644	N4	C1	N6	113.288
N4	C1	O7	123.356	N4	C2	N5	113.288
N4	C2	O8	123.356	N5	C2	O8	123.356
N5	C3	N6	113.288	N5	C3	O9	123.356
N6	C1	O7	123.356	N6	C3	O9	123.356

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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