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	hartrees
Energy at 0K	-505.773508
Energy at 298.15K	-505.780936
HF Energy	-505.773508
Nuclear repulsion energy	449.319734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3659	3511	0.00
2	A₁'	1884	1807	0.00
3	A₁'	999	958	0.00
4	A₁'	679	651	0.00
5	A₂'	1392	1336	0.00
6	A₂'	1237	1187	0.00
7	A₂'	641	615	0.00
8	A₂"	747	717	80.73
9	A₂"	650	624	288.56
10	A₂"	131	125	2.09
11	E'	3656	3508	172.17
11	E'	3656	3508	172.17
12	E'	1857	1782	1051.92
12	E'	1857	1782	1052.01
13	E'	1485	1425	349.58
13	E'	1485	1425	349.58
14	E'	1421	1364	87.29
14	E'	1421	1364	87.29
15	E'	1045	1003	14.70
15	E'	1045	1003	14.70
16	E'	523	502	27.31
16	E'	523	502	27.32
17	E'	397	381	25.84
17	E'	397	381	25.84
18	E"	749	719	0.00
18	E"	749	719	0.00
19	E"	572	549	0.00
19	E"	572	549	0.00
20	E"	141	135	0.00
20	E"	141	135	0.00

Atom	x (Å)	y (Å)
C1	1.236	0.714
C2	-1.236	0.714
C3	0.000	-1.427
N4	0.000	1.332
N5	-1.154	-0.666
N6	1.154	-0.666
O7	2.277	1.315
O8	-2.277	1.315
O9	0.000	-2.629
H10	0.000	2.341
H11	-2.028	-1.171
H12	2.028	-1.171

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4723	2.4723	1.3823	2.7596	1.3823	1.2020	3.5643	3.5643	2.0440	3.7688	2.0440
C2	2.4723		2.4723	1.3823	1.3823	2.7596	3.5643	1.2020	3.5643	2.0440	2.0440	3.7688
C3	2.4723	2.4723		2.7596	1.3823	1.3823	3.5643	3.5643	1.2020	3.7688	2.0440	2.0440
N4	1.3823	1.3823	2.7596		2.3075	2.3075	2.2772	2.2772	3.9616	1.0092	3.2213	3.2213
N5	2.7596	1.3823	1.3823	2.3075		2.3075	3.9616	2.2772	2.2772	3.2213	1.0092	3.2213
N6	1.3823	2.7596	1.3823	2.3075	2.3075		2.2772	3.9616	2.2772	3.2213	3.2213	1.0092
O7	1.2020	3.5643	3.5643	2.2772	3.9616	2.2772		4.5543	4.5543	2.4979	4.9709	2.4979
O8	3.5643	1.2020	3.5643	2.2772	2.2772	3.9616	4.5543		4.5543	2.4979	2.4979	4.9709
O9	3.5643	3.5643	1.2020	3.9616	2.2772	2.2772	4.5543	4.5543		4.9709	2.4979	2.4979
H10	2.0440	2.0440	3.7688	1.0092	3.2213	3.2213	2.4979	2.4979	4.9709		4.0556	4.0556
H11	3.7688	2.0440	2.0440	3.2213	1.0092	3.2213	4.9709	2.4979	2.4979	4.0556		4.0556
H12	2.0440	3.7688	2.0440	3.2213	3.2213	1.0092	2.4979	4.9709	2.4979	4.0556	4.0556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.834	C1	N4	H10	116.583
C1	N6	C3	126.834	C1	N6	H12	116.583
C2	N4	H10	116.583	C2	N5	C3	126.834
C2	N5	H11	116.583	C3	N5	H11	116.583
C3	N6	H12	116.583	N4	C1	N6	113.166
N4	C1	O7	123.417	N4	C2	N5	113.166
N4	C2	O8	123.417	N5	C2	O8	123.417
N5	C3	N6	113.166	N5	C3	O9	123.417
N6	C1	O7	123.417	N6	C3	O9	123.417

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

using model chemistry: PBE1PBE/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: PBE1PBE/TZVP

States and conformations

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