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	hartrees
Energy at 0K	-503.142152
Energy at 298.15K	-503.149924
HF Energy	-503.142152
Nuclear repulsion energy	444.239916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3601	3461	0.00
2	A₁'	1831	1760	0.00
3	A₁'	997	959	0.00
4	A₁'	660	634	0.00
5	A₂'	1436	1380	0.00
6	A₂'	1203	1156	0.00
7	A₂'	625	601	0.00
8	A₂"	890	856	418.82
9	A₂"	715	688	166.66
10	A₂"	174	167	3.79
11	E'	3597	3458	148.66
11	E'	3597	3458	148.65
12	E'	1815	1744	703.98
12	E'	1815	1744	703.96
13	E'	1446	1390	29.01
13	E'	1446	1390	28.96
14	E'	1421	1366	351.41
14	E'	1421	1366	351.44
15	E'	1034	994	4.77
15	E'	1034	994	4.77
16	E'	515	495	24.89
16	E'	515	495	24.88
17	E'	389	374	22.33
17	E'	389	374	22.32
18	E"	816	784	0.00
18	E"	816	784	0.00
19	E"	692	665	0.00
19	E"	692	665	0.00
20	E"	170	164	0.00
20	E"	170	164	0.00

Atom	x (Å)	y (Å)
C1	1.248	0.720
C2	-1.248	0.720
C3	0.000	-1.441
N4	0.000	1.339
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.310	1.334
O8	-2.310	1.334
O9	0.000	-2.668
H10	0.000	2.354
H11	-2.039	-1.177
H12	2.039	-1.177

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4951	2.4951	1.3925	2.7793	1.3924	1.2270	3.6102	3.6102	2.0556	3.7945	2.0556
C2	2.4951		2.4951	1.3925	1.3924	2.7793	3.6102	1.2270	3.6102	2.0556	2.0556	3.7945
C3	2.4951	2.4951		2.7793	1.3925	1.3925	3.6102	3.6102	1.2270	3.7945	2.0556	2.0556
N4	1.3925	1.3925	2.7793		2.3189	2.3189	2.3102	2.3102	4.0063	1.0152	3.2381	3.2381
N5	2.7793	1.3924	1.3925	2.3189		2.3189	4.0063	2.3102	2.3102	3.2381	1.0152	3.2381
N6	1.3924	2.7793	1.3925	2.3189	2.3189		2.3102	4.0063	2.3102	3.2381	3.2381	1.0152
O7	1.2270	3.6102	3.6102	2.3102	4.0063	2.3102		4.6203	4.6203	2.5254	5.0215	2.5254
O8	3.6102	1.2270	3.6102	2.3102	2.3102	4.0063	4.6203		4.6203	2.5254	2.5254	5.0215
O9	3.6102	3.6102	1.2270	4.0063	2.3102	2.3102	4.6203	4.6203		5.0215	2.5254	2.5254
H10	2.0556	2.0556	3.7945	1.0152	3.2381	3.2381	2.5254	2.5254	5.0215		4.0772	4.0772
H11	3.7945	2.0556	2.0556	3.2381	1.0152	3.2381	5.0215	2.5254	2.5254	4.0772		4.0772
H12	2.0556	3.7945	2.0556	3.2381	3.2381	1.0152	2.5254	5.0215	2.5254	4.0772	4.0772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.254	C1	N4	H10	116.373
C1	N6	C3	127.254	C1	N6	H12	116.373
C2	N4	H10	116.373	C2	N5	C3	127.254
C2	N5	H11	116.373	C3	N5	H11	116.373
C3	N6	H12	116.373	N4	C1	N6	112.746
N4	C1	O7	123.627	N4	C2	N5	112.746
N4	C2	O8	123.627	N5	C2	O8	123.627
N5	C3	N6	112.746	N5	C3	O9	123.627
N6	C1	O7	123.627	N6	C3	O9	123.627

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

using model chemistry: B3PW91/3-21G

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: B3PW91/3-21G

States and conformations

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