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	hartrees
Energy at 0K	-505.046999
Energy at 298.15K
HF Energy	-503.551942
Nuclear repulsion energy	447.754250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3674	3510	0.00
2	A₁'	1867	1784	0.00
3	A₁'	1000	956	0.00
4	A₁'	674	644	0.00
5	A₂'	1417	1353	0.00
6	A₂'	1244	1188	0.00
7	A₂'	645	616	0.00
8	A₂"	674	644	5.91
9	A₂"	550	525	376.96
10	A₂"	84i	81i	2.67
11	E'	3671	3507	152.59
11	E'	3671	3507	152.59
12	E'	1848	1765	1051.22
12	E'	1848	1765	1051.23
13	E'	1488	1421	320.10
13	E'	1488	1421	320.17
14	E'	1432	1368	140.07
14	E'	1432	1368	140.16
15	E'	1047	1000	25.14
15	E'	1047	1000	25.15
16	E'	524	501	25.44
16	E'	524	501	25.46
17	E'	398	381	27.56
17	E'	398	381	27.58
18	E"	708	676	0.00
18	E"	708	676	0.00
19	E"	436	417	0.00
19	E"	436	417	0.00
20	E"	97i	92i	0.00
20	E"	97i	92i	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.716
C2	-1.241	0.716
C3	0.000	-1.433
N4	0.000	1.338
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.285	1.319
O8	-2.285	1.319
O9	0.000	-2.638
H10	0.000	2.347
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4817	2.4817	1.3879	2.7709	1.3879	1.2055	3.5768	3.5768	2.0489	3.7797	2.0489
C2	2.4817		2.4817	1.3879	1.3879	2.7709	3.5768	1.2055	3.5768	2.0489	2.0489	3.7797
C3	2.4817	2.4817		2.7709	1.3879	1.3879	3.5768	3.5768	1.2055	3.7797	2.0489	2.0489
N4	1.3879	1.3879	2.7709		2.3177	2.3177	2.2849	2.2849	3.9764	1.0088	3.2309	3.2309
N5	2.7709	1.3879	1.3879	2.3177		2.3177	3.9764	2.2849	2.2849	3.2309	1.0088	3.2309
N6	1.3879	2.7709	1.3879	2.3177	2.3177		2.2849	3.9764	2.2849	3.2309	3.2309	1.0088
O7	1.2055	3.5768	3.5768	2.2849	3.9764	2.2849		4.5697	4.5697	2.5053	4.9852	2.5053
O8	3.5768	1.2055	3.5768	2.2849	2.2849	3.9764	4.5697		4.5697	2.5053	2.5053	4.9852
O9	3.5768	3.5768	1.2055	3.9764	2.2849	2.2849	4.5697	4.5697		4.9852	2.5053	2.5053
H10	2.0489	2.0489	3.7797	1.0088	3.2309	3.2309	2.5053	2.5053	4.9852		4.0649	4.0649
H11	3.7797	2.0489	2.0489	3.2309	1.0088	3.2309	4.9852	2.5053	2.5053	4.0649		4.0649
H12	2.0489	3.7797	2.0489	3.2309	3.2309	1.0088	2.5053	4.9852	2.5053	4.0649	4.0649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.774	C1	N4	H10	116.613
C1	N6	C3	126.774	C1	N6	H12	116.613
C2	N4	H10	116.613	C2	N5	C3	126.774
C2	N5	H11	116.613	C3	N5	H11	116.613
C3	N6	H12	116.613	N4	C1	N6	113.226
N4	C1	O7	123.387	N4	C2	N5	113.226
N4	C2	O8	123.387	N5	C2	O8	123.387
N5	C3	N6	113.226	N5	C3	O9	123.387
N6	C1	O7	123.387	N6	C3	O9	123.387

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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