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	hartrees
Energy at 0K	-505.008143
Energy at 298.15K	-505.015428
HF Energy	-503.514582
Nuclear repulsion energy	447.264798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3687	3517	0.00
2	A₁'	1886	1800	0.00
3	A₁'	1003	957	0.00
4	A₁'	675	644	0.00
5	A₂'	1413	1348	0.00
6	A₂'	1258	1201	0.00
7	A₂'	636	607	0.00
8	A₂"	747	712	58.41
9	A₂"	635	606	320.26
10	A₂"	110	105	0.12
11	E'	3684	3515	147.59
11	E'	3684	3515	147.60
12	E'	1874	1788	979.97
12	E'	1874	1788	979.95
13	E'	1499	1430	333.09
13	E'	1499	1430	333.16
14	E'	1429	1364	91.11
14	E'	1429	1364	91.15
15	E'	1049	1001	18.24
15	E'	1049	1001	18.25
16	E'	522	498	23.04
16	E'	522	498	23.05
17	E'	397	379	26.85
17	E'	397	379	26.86
18	E"	749	715	0.00
18	E"	749	715	0.00
19	E"	552	526	0.00
19	E"	552	526	0.00
20	E"	119	114	0.00
20	E"	119	114	0.00

Atom	x (Å)	y (Å)
C1	1.245	0.719
C2	-1.245	0.719
C3	0.000	-1.437
N4	0.000	1.338
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.288	1.321
O8	-2.288	1.321
O9	0.000	-2.642
H10	0.000	2.348
H11	-2.033	-1.174
H12	2.033	-1.174

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4892	2.4892	1.3904	2.7756	1.3904	1.2045	3.5833	3.5833	2.0501	3.7847	2.0501
C2	2.4892		2.4892	1.3904	1.3904	2.7756	3.5833	1.2045	3.5833	2.0501	2.0501	3.7847
C3	2.4892	2.4892		2.7756	1.3904	1.3904	3.5833	3.5833	1.2045	3.7847	2.0501	2.0501
N4	1.3904	1.3904	2.7756		2.3183	2.3183	2.2878	2.2878	3.9801	1.0092	3.2319	3.2319
N5	2.7756	1.3904	1.3904	2.3183		2.3183	3.9801	2.2878	2.2878	3.2319	1.0092	3.2319
N6	1.3904	2.7756	1.3904	2.3183	2.3183		2.2878	3.9801	2.2878	3.2319	3.2319	1.0092
O7	1.2045	3.5833	3.5833	2.2878	3.9801	2.2878		4.5754	4.5754	2.5076	4.9892	2.5076
O8	3.5833	1.2045	3.5833	2.2878	2.2878	3.9801	4.5754		4.5754	2.5076	2.5076	4.9892
O9	3.5833	3.5833	1.2045	3.9801	2.2878	2.2878	4.5754	4.5754		4.9892	2.5076	2.5076
H10	2.0501	2.0501	3.7847	1.0092	3.2319	3.2319	2.5076	2.5076	4.9892		4.0662	4.0662
H11	3.7847	2.0501	2.0501	3.2319	1.0092	3.2319	4.9892	2.5076	2.5076	4.0662		4.0662
H12	2.0501	3.7847	2.0501	3.2319	3.2319	1.0092	2.5076	4.9892	2.5076	4.0662	4.0662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.046	C1	N4	H10	116.477
C1	N6	C3	127.046	C1	N6	H12	116.477
C2	N4	H10	116.477	C2	N5	C3	127.046
C2	N5	H11	116.477	C3	N5	H11	116.477
C3	N6	H12	116.477	N4	C1	N6	112.954
N4	C1	O7	123.523	N4	C2	N5	112.954
N4	C2	O8	123.523	N5	C2	O8	123.523
N5	C3	N6	112.954	N5	C3	O9	123.523
N6	C1	O7	123.523	N6	C3	O9	123.523

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

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

States and conformations

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