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	hartrees
Energy at 0K	-505.984283
Energy at 298.15K	-505.991723
HF Energy	-505.984283
Nuclear repulsion energy	447.336011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3637	3510	0.00
2	A₁'	1881	1815	0.00
3	A₁'	992	957	0.00
4	A₁'	671	648	0.00
5	A₂'	1362	1315	0.00
6	A₂'	1246	1202	0.00
7	A₂'	632	610	0.00
8	A₂"	761	734	82.58
9	A₂"	665	642	249.20
10	A₂"	119	115	1.64
11	E'	3635	3508	164.31
11	E'	3635	3508	164.31
12	E'	1862	1797	922.78
12	E'	1862	1797	922.75
13	E'	1486	1434	331.18
13	E'	1486	1434	331.16
14	E'	1400	1351	40.69
14	E'	1400	1351	40.71
15	E'	1036	1000	8.78
15	E'	1036	1000	8.78
16	E'	516	497	24.65
16	E'	516	497	24.65
17	E'	393	379	23.62
17	E'	393	379	23.62
18	E"	760	733	0.00
18	E"	760	733	0.00
19	E"	598	577	0.00
19	E"	598	577	0.00
20	E"	146	141	0.00
20	E"	146	141	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	2.351
H11	-2.036	-1.176
H12	2.036	-1.176

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4824	2.4824	1.3876	2.7701	1.3876	1.2087	3.5806	3.5806	2.0526	3.7847	2.0526
C2	2.4824		2.4824	1.3876	1.3876	2.7701	3.5806	1.2087	3.5806	2.0526	2.0526	3.7847
C3	2.4824	2.4824		2.7701	1.3876	1.3876	3.5806	3.5806	1.2087	3.7847	2.0526	2.0526
N4	1.3876	1.3876	2.7701		2.3155	2.3155	2.2880	2.2880	3.9788	1.0146	3.2342	3.2342
N5	2.7701	1.3876	1.3876	2.3155		2.3155	3.9788	2.2880	2.2880	3.2342	1.0146	3.2342
N6	1.3876	2.7701	1.3876	2.3155	2.3155		2.2880	3.9788	2.2880	3.2342	3.2342	1.0146
O7	1.2087	3.5806	3.5806	2.2880	3.9788	2.2880		4.5760	4.5760	2.5093	4.9934	2.5093
O8	3.5806	1.2087	3.5806	2.2880	2.2880	3.9788	4.5760		4.5760	2.5093	2.5093	4.9934
O9	3.5806	3.5806	1.2087	3.9788	2.2880	2.2880	4.5760	4.5760		4.9934	2.5093	2.5093
H10	2.0526	2.0526	3.7847	1.0146	3.2342	3.2342	2.5093	2.5093	4.9934		4.0729	4.0729
H11	3.7847	2.0526	2.0526	3.2342	1.0146	3.2342	4.9934	2.5093	2.5093	4.0729		4.0729
H12	2.0526	3.7847	2.0526	3.2342	3.2342	1.0146	2.5093	4.9934	2.5093	4.0729	4.0729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.897	C1	N4	H10	116.551
C1	N6	C3	126.897	C1	N6	H12	116.551
C2	N4	H10	116.551	C2	N5	C3	126.897
C2	N5	H11	116.551	C3	N5	H11	116.551
C3	N6	H12	116.551	N4	C1	N6	113.103
N4	C1	O7	123.449	N4	C2	N5	113.103
N4	C2	O8	123.449	N5	C2	O8	123.449
N5	C3	N6	113.103	N5	C3	O9	123.449
N6	C1	O7	123.449	N6	C3	O9	123.449

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

using model chemistry: B3PW91/cc-pVDZ

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/cc-pVDZ

States and conformations

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