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	hartrees
Energy at 0K	-499.242108
Energy at 298.15K	-499.248250
HF Energy	-499.242108
Nuclear repulsion energy	432.353646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3814	3368	0.00
2	A₁'	1942	1715	0.00
3	A₁'	943	833	0.00
4	A₁'	662	584	0.00
5	A₂'	1423	1257	0.00
6	A₂'	1218	1076	0.00
7	A₂'	578	510	0.00
8	A₂"	652	575	2.28
9	A₂"	596	526	421.09
10	A₂"	70	62	4.44
11	E'	3812	3366	62.95
11	E'	3812	3366	62.92
12	E'	1943	1716	357.73
12	E'	1943	1716	357.76
13	E'	1489	1315	146.54
13	E'	1489	1315	146.53
14	E'	1417	1251	220.55
14	E'	1417	1251	220.52
15	E'	1027	907	3.10
15	E'	1027	907	3.10
16	E'	489	432	11.03
16	E'	489	432	11.03
17	E'	361	318	13.81
17	E'	361	318	13.81
18	E"	649	573	0.00
18	E"	649	573	0.00
19	E"	543	479	0.00
19	E"	543	479	0.00
20	E"	97	86	0.00
20	E"	97	86	0.00

Atom	x (Å)	y (Å)
C1	1.297	0.749
C2	-1.297	0.749
C3	0.000	-1.497
N4	0.000	1.373
N5	-1.189	-0.686
N6	1.189	-0.686
O7	2.373	1.370
O8	-2.373	1.370
O9	0.000	-2.740
H10	0.000	2.411
H11	-2.088	-1.206
H12	2.088	-1.206

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5932	2.5932	1.4390	2.8699	1.4390	1.2432	3.7221	3.7221	2.1086	3.9086	2.1086
C2	2.5932		2.5932	1.4390	1.4390	2.8699	3.7221	1.2432	3.7221	2.1086	2.1086	3.9086
C3	2.5932	2.5932		2.8699	1.4390	1.4390	3.7221	3.7221	1.2432	3.9086	2.1086	2.1086
N4	1.4390	1.4390	2.8699		2.3776	2.3776	2.3732	2.3732	4.1131	1.0387	3.3180	3.3180
N5	2.8699	1.4390	1.4390	2.3776		2.3777	4.1131	2.3732	2.3732	3.3180	1.0387	3.3180
N6	1.4390	2.8699	1.4390	2.3776	2.3777		2.3732	4.1131	2.3732	3.3180	3.3180	1.0387
O7	1.2432	3.7221	3.7221	2.3732	4.1131	2.3732		4.7465	4.7465	2.5916	5.1518	2.5916
O8	3.7221	1.2432	3.7221	2.3732	2.3732	4.1131	4.7465		4.7465	2.5916	2.5916	5.1518
O9	3.7221	3.7221	1.2432	4.1131	2.3732	2.3732	4.7465	4.7465		5.1518	2.5916	2.5916
H10	2.1086	2.1086	3.9086	1.0387	3.3180	3.3180	2.5916	2.5916	5.1518		4.1767	4.1767
H11	3.9086	2.1086	2.1086	3.3180	1.0387	3.3180	5.1518	2.5916	2.5916	4.1767		4.1767
H12	2.1086	3.9086	2.1086	3.3180	3.3180	1.0387	2.5916	5.1518	2.5916	4.1767	4.1767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	128.591	C1	N4	H10	115.705
C1	N6	C3	128.591	C1	N6	H12	115.705
C2	N4	H10	115.705	C2	N5	C3	128.591
C2	N5	H11	115.705	C3	N5	H11	115.705
C3	N6	H12	115.705	N4	C1	N6	111.409
N4	C1	O7	124.295	N4	C2	N5	111.409
N4	C2	O8	124.295	N5	C2	O8	124.295
N5	C3	N6	111.409	N5	C3	O9	124.295
N6	C1	O7	124.295	N6	C3	O9	124.295

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

using model chemistry: B1B95/STO-3G

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: B1B95/STO-3G

States and conformations

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