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	hartrees
Energy at 0K	-503.678781
Energy at 298.15K	-503.686199
HF Energy	-503.678781
Nuclear repulsion energy	449.158942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3542	3484	0.00
2	A₁'	1860	1830	0.00
3	A₁'	983	967	0.00
4	A₁'	666	655	0.00
5	A₂'	1330	1309	0.00
6	A₂'	1226	1206	0.00
7	A₂'	612	602	0.00
8	A₂"	768	756	155.01
9	A₂"	672	661	222.57
10	A₂"	134	132	2.38
11	E'	3539	3481	152.46
11	E'	3539	3481	152.45
12	E'	1840	1810	873.85
12	E'	1840	1810	873.98
13	E'	1460	1436	324.07
13	E'	1460	1436	324.01
14	E'	1374	1352	19.51
14	E'	1374	1352	19.51
15	E'	1017	1000	5.55
15	E'	1017	1000	5.55
16	E'	508	499	23.38
16	E'	508	499	23.38
17	E'	384	378	23.88
17	E'	384	378	23.88
18	E"	750	738	0.00
18	E"	750	738	0.00
19	E"	610	600	0.00
19	E"	610	600	0.00
20	E"	153	150	0.00
20	E"	153	150	0.00

Atom	x (Å)	y (Å)
C1	1.236	0.714
C2	-1.236	0.714
C3	0.000	-1.427
N4	0.000	1.327
N5	-1.149	-0.664
N6	1.149	-0.664
O7	2.280	1.316
O8	-2.280	1.316
O9	0.000	-2.633
H10	0.000	2.347
H11	-2.033	-1.174
H12	2.033	-1.174

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4722	2.4722	1.3800	2.7546	1.3800	1.2053	3.5673	3.5673	2.0487	3.7747	2.0487
C2	2.4722		2.4722	1.3800	1.3800	2.7546	3.5673	1.2053	3.5673	2.0487	2.0487	3.7747
C3	2.4722	2.4722		2.7546	1.3800	1.3800	3.5673	3.5673	1.2053	3.7747	2.0487	2.0487
N4	1.3800	1.3800	2.7546		2.2990	2.2990	2.2799	2.2799	3.9599	1.0201	3.2230	3.2230
N5	2.7546	1.3800	1.3800	2.2990		2.2990	3.9599	2.2799	2.2799	3.2230	1.0201	3.2230
N6	1.3800	2.7546	1.3800	2.2990	2.2990		2.2799	3.9599	2.2799	3.2230	3.2230	1.0201
O7	1.2053	3.5673	3.5673	2.2799	3.9599	2.2799		4.5598	4.5598	2.5022	4.9800	2.5022
O8	3.5673	1.2053	3.5673	2.2799	2.2799	3.9599	4.5598		4.5598	2.5022	2.5022	4.9800
O9	3.5673	3.5673	1.2053	3.9599	2.2799	2.2799	4.5598	4.5598		4.9800	2.5022	2.5022
H10	2.0487	2.0487	3.7747	1.0201	3.2230	3.2230	2.5022	2.5022	4.9800		4.0658	4.0658
H11	3.7747	2.0487	2.0487	3.2230	1.0201	3.2230	4.9800	2.5022	2.5022	4.0658		4.0658
H12	2.0487	3.7747	2.0487	3.2230	3.2230	1.0201	2.5022	4.9800	2.5022	4.0658	4.0658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.197	C1	N4	H10	116.402
C1	N6	C3	127.197	C1	N6	H12	116.402
C2	N4	H10	116.402	C2	N5	C3	127.197
C2	N5	H11	116.402	C3	N5	H11	116.402
C3	N6	H12	116.402	N4	C1	N6	112.803
N4	C1	O7	123.598	N4	C2	N5	112.803
N4	C2	O8	123.598	N5	C2	O8	123.598
N5	C3	N6	112.803	N5	C3	O9	123.598
N6	C1	O7	123.598	N6	C3	O9	123.598

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

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

States and conformations

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