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	hartrees
Energy at 0K	-504.770276
Energy at 298.15K	-504.777664
HF Energy	-503.381884
Nuclear repulsion energy	446.625121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3652	3449	0.00
2	A₁'	1913	1806	0.00
3	A₁'	1009	953	0.00
4	A₁'	685	647	0.00
5	A₂'	1414	1335	0.00
6	A₂'	1287	1215	0.00
7	A₂'	633	598	0.00
8	A₂"	724	684	96.60
9	A₂"	667	629	382.08
10	A₂"	118	111	0.07
11	E'	3650	3447	162.90
11	E'	3650	3447	162.90
12	E'	1896	1790	972.23
12	E'	1896	1790	972.25
13	E'	1519	1435	379.31
13	E'	1519	1435	379.32
14	E'	1440	1360	44.70
14	E'	1440	1360	44.70
15	E'	1058	999	14.77
15	E'	1058	999	14.78
16	E'	526	497	22.95
16	E'	526	497	22.95
17	E'	395	373	28.97
17	E'	395	373	28.99
18	E"	741	699	0.00
18	E"	741	699	0.00
19	E"	596	562	0.00
19	E"	596	562	0.00
20	E"	144	136	0.00
20	E"	144	136	0.00

Atom	x (Å)	y (Å)
C1	1.243	0.718
C2	-1.243	0.718
C3	0.000	-1.435
N4	0.000	1.338
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.293	1.324
O8	-2.293	1.324
O9	0.000	-2.647
H10	0.000	2.352
H11	-2.037	-1.176
H12	2.037	-1.176

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4856	2.4856	1.3891	2.7730	1.3891	1.2123	3.5871	3.5871	2.0533	3.7871	2.0533
C2	2.4856		2.4856	1.3891	1.3891	2.7730	3.5871	1.2123	3.5871	2.0533	2.0533	3.7871
C3	2.4856	2.4856		2.7730	1.3891	1.3891	3.5871	3.5871	1.2123	3.7871	2.0533	2.0533
N4	1.3891	1.3891	2.7730		2.3174	2.3174	2.2927	2.2927	3.9853	1.0141	3.2356	3.2356
N5	2.7730	1.3891	1.3891	2.3174		2.3174	3.9853	2.2927	2.2927	3.2356	1.0141	3.2356
N6	1.3891	2.7730	1.3891	2.3174	2.3174		2.2927	3.9853	2.2927	3.2356	3.2356	1.0141
O7	1.2123	3.5871	3.5871	2.2927	3.9853	2.2927		4.5854	4.5854	2.5128	4.9994	2.5128
O8	3.5871	1.2123	3.5871	2.2927	2.2927	3.9853	4.5854		4.5854	2.5128	2.5128	4.9994
O9	3.5871	3.5871	1.2123	3.9853	2.2927	2.2927	4.5854	4.5854		4.9994	2.5128	2.5128
H10	2.0533	2.0533	3.7871	1.0141	3.2356	3.2356	2.5128	2.5128	4.9994		4.0739	4.0739
H11	3.7871	2.0533	2.0533	3.2356	1.0141	3.2356	4.9994	2.5128	2.5128	4.0739		4.0739
H12	2.0533	3.7871	2.0533	3.2356	3.2356	1.0141	2.5128	4.9994	2.5128	4.0739	4.0739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.944	C1	N4	H10	116.528
C1	N6	C3	126.944	C1	N6	H12	116.528
C2	N4	H10	116.528	C2	N5	C3	126.944
C2	N5	H11	116.528	C3	N5	H11	116.528
C3	N6	H12	116.528	N4	C1	N6	113.056
N4	C1	O7	123.472	N4	C2	N5	113.056
N4	C2	O8	123.472	N5	C2	O8	123.472
N5	C3	N6	113.056	N5	C3	O9	123.472
N6	C1	O7	123.472	N6	C3	O9	123.472

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

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

States and conformations

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