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	hartrees
Energy at 0K	-504.781924
Energy at 298.15K	-504.789373
HF Energy	-503.395267
Nuclear repulsion energy	447.443056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3742	3508	0.00
2	A₁'	1938	1817	0.00
3	A₁'	1012	949	0.00
4	A₁'	690	647	0.00
5	A₂'	1428	1338	0.00
6	A₂'	1296	1215	0.00
7	A₂'	640	600	0.00
8	A₂"	728	682	76.25
9	A₂"	669	627	382.27
10	A₂"	118	110	0.13
11	E'	3739	3506	163.93
11	E'	3739	3506	163.93
12	E'	1921	1801	1002.99
12	E'	1921	1801	1003.00
13	E'	1531	1435	388.32
13	E'	1531	1435	388.32
14	E'	1451	1361	62.39
14	E'	1451	1361	62.39
15	E'	1064	998	16.60
15	E'	1064	998	16.61
16	E'	529	496	22.54
16	E'	529	496	22.54
17	E'	398	374	29.35
17	E'	398	374	29.37
18	E"	745	699	0.00
18	E"	745	699	0.00
19	E"	600	563	0.00
19	E"	600	563	0.00
20	E"	144	135	0.00
20	E"	144	135	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.717
C2	-1.241	0.717
C3	0.000	-1.433
N4	0.000	1.337
N5	-1.158	-0.668
N6	1.158	-0.668
O7	2.288	1.321
O8	-2.288	1.321
O9	0.000	-2.642
H10	0.000	2.344
H11	-2.030	-1.172
H12	2.030	-1.172

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4823	2.4823	1.3874	2.7698	1.3874	1.2093	3.5810	3.5810	2.0466	3.7771	2.0466
C2	2.4823		2.4823	1.3874	1.3874	2.7698	3.5810	1.2093	3.5810	2.0466	2.0466	3.7771
C3	2.4823	2.4823		2.7698	1.3874	1.3874	3.5810	3.5810	1.2093	3.7771	2.0466	2.0466
N4	1.3874	1.3874	2.7698		2.3152	2.3152	2.2885	2.2885	3.9791	1.0073	3.2270	3.2270
N5	2.7698	1.3874	1.3874	2.3152		2.3152	3.9791	2.2885	2.2885	3.2270	1.0073	3.2270
N6	1.3874	2.7698	1.3874	2.3152	2.3152		2.2885	3.9791	2.2885	3.2270	3.2270	1.0073
O7	1.2093	3.5810	3.5810	2.2885	3.9791	2.2885		4.5768	4.5768	2.5065	4.9864	2.5065
O8	3.5810	1.2093	3.5810	2.2885	2.2885	3.9791	4.5768		4.5768	2.5065	2.5065	4.9864
O9	3.5810	3.5810	1.2093	3.9791	2.2885	2.2885	4.5768	4.5768		4.9864	2.5065	2.5065
H10	2.0466	2.0466	3.7771	1.0073	3.2270	3.2270	2.5065	2.5065	4.9864		4.0598	4.0598
H11	3.7771	2.0466	2.0466	3.2270	1.0073	3.2270	4.9864	2.5065	2.5065	4.0598		4.0598
H12	2.0466	3.7771	2.0466	3.2270	3.2270	1.0073	2.5065	4.9864	2.5065	4.0598	4.0598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.905	C1	N4	H10	116.547
C1	N6	C3	126.905	C1	N6	H12	116.547
C2	N4	H10	116.547	C2	N5	C3	126.905
C2	N5	H11	116.547	C3	N5	H11	116.547
C3	N6	H12	116.547	N4	C1	N6	113.095
N4	C1	O7	123.453	N4	C2	N5	113.095
N4	C2	O8	123.453	N5	C2	O8	123.453
N5	C3	N6	113.095	N5	C3	O9	123.453
N6	C1	O7	123.453	N6	C3	O9	123.453

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

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

States and conformations

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