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	hartrees
Energy at 0K	-506.034525
Energy at 298.15K	-506.041629
HF Energy	-506.034525
Nuclear repulsion energy	441.640269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3542	3514	0.00
2	A₁'	1789	1776	0.00
3	A₁'	951	944	0.00
4	A₁'	636	631	0.00
5	A₂'	1317	1307	0.00
6	A₂'	1126	1117	0.00
7	A₂'	601	596	0.00
8	A₂"	692	687	27.94
9	A₂"	642	637	314.04
10	A₂"	115	114	0.70
11	E'	3540	3512	121.70
11	E'	3540	3512	121.72
12	E'	1770	1757	743.79
12	E'	1770	1757	743.81
13	E'	1389	1378	242.33
13	E'	1389	1378	242.20
14	E'	1347	1337	100.87
14	E'	1347	1337	100.93
15	E'	978	971	10.46
15	E'	978	971	10.46
16	E'	496	492	26.36
16	E'	496	492	26.36
17	E'	371	368	19.11
17	E'	371	368	19.11
18	E"	704	699	0.00
18	E"	704	699	0.00
19	E"	570	566	0.00
19	E"	570	566	0.00
20	E"	144	143	0.00
20	E"	144	143	0.00

Atom	x (Å)	y (Å)
C1	1.260	0.727
C2	-1.260	0.727
C3	0.000	-1.455
N4	0.000	1.351
N5	-1.170	-0.676
N6	1.170	-0.676
O7	2.320	1.340
O8	-2.320	1.340
O9	0.000	-2.679
H10	0.000	2.370
H11	-2.053	-1.185
H12	2.053	-1.185

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5195	2.5195	1.4058	2.8058	1.4058	1.2245	3.6320	3.6320	2.0702	3.8247	2.0702
C2	2.5195		2.5195	1.4058	1.4058	2.8058	3.6320	1.2245	3.6320	2.0702	2.0702	3.8247
C3	2.5195	2.5195		2.8058	1.4058	1.4058	3.6320	3.6320	1.2245	3.8247	2.0702	2.0702
N4	1.4058	1.4058	2.8058		2.3403	2.3403	2.3203	2.3203	4.0303	1.0189	3.2627	3.2627
N5	2.8058	1.4058	1.4058	2.3403		2.3403	4.0303	2.3203	2.3203	3.2627	1.0189	3.2627
N6	1.4058	2.8058	1.4058	2.3403	2.3403		2.3203	4.0303	2.3203	3.2627	3.2627	1.0189
O7	1.2245	3.6320	3.6320	2.3203	4.0303	2.3203		4.6405	4.6405	2.5388	5.0492	2.5388
O8	3.6320	1.2245	3.6320	2.3203	2.3203	4.0303	4.6405		4.6405	2.5388	2.5388	5.0492
O9	3.6320	3.6320	1.2245	4.0303	2.3203	2.3203	4.6405	4.6405		5.0492	2.5388	2.5388
H10	2.0702	2.0702	3.8247	1.0189	3.2627	3.2627	2.5388	2.5388	5.0492		4.1051	4.1051
H11	3.8247	2.0702	2.0702	3.2627	1.0189	3.2627	5.0492	2.5388	2.5388	4.1051		4.1051
H12	2.0702	3.8247	2.0702	3.2627	3.2627	1.0189	2.5388	5.0492	2.5388	4.1051	4.1051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.309	C1	N4	H10	116.346
C1	N6	C3	127.309	C1	N6	H12	116.346
C2	N4	H10	116.346	C2	N5	C3	127.309
C2	N5	H11	116.346	C3	N5	H11	116.346
C3	N6	H12	116.346	N4	C1	N6	112.691
N4	C1	O7	123.654	N4	C2	N5	112.691
N4	C2	O8	123.654	N5	C2	O8	123.654
N5	C3	N6	112.691	N5	C3	O9	123.654
N6	C1	O7	123.654	N6	C3	O9	123.654

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

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

States and conformations

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