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	hartrees
Energy at 0K	-94.436166
Energy at 298.15K	-94.443881
HF Energy	-94.436166
Nuclear repulsion energy	235.138010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3867	3472	0.00
2	A₁'	2023	1817	0.00
3	A₁'	1058	950	0.00
4	A₁'	718	645	0.00
5	A₂'	1512	1357	0.00
6	A₂'	1359	1221	0.00
7	A₂'	681	611	0.00
8	A₂"	834	749	144.73
9	A₂"	686	616	388.52
10	A₂"	129	115	0.86
11	E'	3863	3469	211.21
11	E'	3863	3469	211.21
12	E'	1995	1792	1443.49
12	E'	1995	1792	1443.49
13	E'	1607	1443	372.41
13	E'	1607	1443	372.41
14	E'	1522	1367	169.55
14	E'	1522	1367	169.55
15	E'	1114	1000	18.05
15	E'	1114	1000	18.05
16	E'	551	495	29.81
16	E'	551	495	29.81
17	E'	424	380	37.70
17	E'	424	380	37.70
18	E"	824	740	0.00
18	E"	824	740	0.00
19	E"	612	550	0.00
19	E"	612	550	0.00
20	E"	147	132	0.00
20	E"	147	132	0.00

Atom	x (Å)	y (Å)
C1	1.234	0.713
C2	-1.234	0.713
C3	0.000	-1.425
N4	0.000	1.339
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.272	1.312
O8	-2.272	1.312
O9	0.000	-2.624
H10	0.000	2.343
H11	-2.029	-1.171
H12	2.029	-1.171

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4689	2.4689	1.3844	2.7648	1.3844	1.1984	3.5576	3.5576	2.0447	3.7681	2.0447
C2	2.4689		2.4689	1.3844	1.3844	2.7648	3.5576	1.1984	3.5576	2.0447	2.0447	3.7681
C3	2.4689	2.4689		2.7648	1.3844	1.3844	3.5576	3.5576	1.1984	3.7682	2.0447	2.0447
N4	1.3844	1.3844	2.7648		2.3199	2.3199	2.2725	2.2725	3.9632	1.0034	3.2280	3.2280
N5	2.7648	1.3844	1.3844	2.3199		2.3199	3.9632	2.2725	2.2725	3.2280	1.0034	3.2280
N6	1.3844	2.7648	1.3844	2.3199	2.3199		2.2725	3.9632	2.2725	3.2280	3.2280	1.0034
O7	1.1984	3.5576	3.5576	2.2725	3.9632	2.2725		4.5446	4.5446	2.4952	4.9666	2.4952
O8	3.5576	1.1984	3.5576	2.2725	2.2725	3.9632	4.5446		4.5446	2.4952	2.4952	4.9666
O9	3.5576	3.5576	1.1984	3.9632	2.2725	2.2725	4.5446	4.5446		4.9666	2.4952	2.4952
H10	2.0447	2.0447	3.7682	1.0034	3.2280	3.2280	2.4952	2.4952	4.9666		4.0577	4.0577
H11	3.7681	2.0447	2.0447	3.2280	1.0034	3.2280	4.9666	2.4952	2.4952	4.0577		4.0577
H12	2.0447	3.7681	2.0447	3.2280	3.2280	1.0034	2.4952	4.9666	2.4952	4.0577	4.0577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.170	C1	N4	H10	116.915
C1	N6	C3	126.170	C1	N6	H12	116.915
C2	N4	H10	116.915	C2	N5	C3	126.170
C2	N5	H11	116.915	C3	N5	H11	116.915
C3	N6	H12	116.915	N4	C1	N6	113.830
N4	C1	O7	123.085	N4	C2	N5	113.830
N4	C2	O8	123.085	N5	C2	O8	123.085
N5	C3	N6	113.830	N5	C3	O9	123.085
N6	C1	O7	123.085	N6	C3	O9	123.085

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

using model chemistry: HF/CEP-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: HF/CEP-31G*

States and conformations

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