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	hartrees
Energy at 0K	-506.328349
Energy at 298.15K	-506.335860
HF Energy	-506.328349
Nuclear repulsion energy	448.046941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3624	3503	0.00
2	A₁'	1840	1779	0.00
3	A₁'	991	958	0.00
4	A₁'	665	643	0.00
5	A₂'	1380	1334	0.00
6	A₂'	1203	1163	0.00
7	A₂'	635	613	0.00
8	A₂"	768	743	91.44
9	A₂"	665	643	224.95
10	A₂"	133	128	3.28
11	E'	3621	3500	150.60
11	E'	3621	3500	150.61
12	E'	1818	1757	948.36
12	E'	1818	1757	948.32
13	E'	1456	1408	283.70
13	E'	1456	1408	283.59
14	E'	1407	1360	103.08
14	E'	1407	1360	103.11
15	E'	1026	992	16.45
15	E'	1026	992	16.46
16	E'	519	502	29.32
16	E'	519	502	29.32
17	E'	392	379	23.89
17	E'	392	379	23.89
18	E"	762	736	0.00
18	E"	762	736	0.00
19	E"	603	583	0.00
19	E"	603	583	0.00
20	E"	155	150	0.00
20	E"	155	150	0.00

Atom	x (Å)	y (Å)
C1	1.240	0.716
C2	-1.240	0.716
C3	0.000	-1.431
N4	0.000	1.337
N5	-1.158	-0.669
N6	1.158	-0.669
O7	2.283	1.318
O8	-2.283	1.318
O9	0.000	-2.637
H10	0.000	2.345
H11	-2.031	-1.173
H12	2.031	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4794	2.4794	1.3867	2.7686	1.3867	1.2052	3.5743	3.5743	2.0476	3.7770	2.0476
C2	2.4794		2.4794	1.3867	1.3867	2.7686	3.5743	1.2052	3.5743	2.0476	2.0476	3.7770
C3	2.4794	2.4794		2.7686	1.3867	1.3867	3.5743	3.5743	1.2052	3.7770	2.0476	2.0476
N4	1.3867	1.3867	2.7686		2.3159	2.3159	2.2836	2.2836	3.9738	1.0084	3.2288	3.2288
N5	2.7686	1.3867	1.3867	2.3159		2.3159	3.9738	2.2836	2.2836	3.2288	1.0084	3.2288
N6	1.3867	2.7686	1.3867	2.3159	2.3159		2.2836	3.9738	2.2836	3.2288	3.2288	1.0084
O7	1.2052	3.5743	3.5743	2.2836	3.9738	2.2836		4.5670	4.5670	2.5038	4.9822	2.5038
O8	3.5743	1.2052	3.5743	2.2836	2.2836	3.9738	4.5670		4.5670	2.5038	2.5038	4.9822
O9	3.5743	3.5743	1.2052	3.9738	2.2836	2.2836	4.5670	4.5670		4.9822	2.5038	2.5038
H10	2.0476	2.0476	3.7770	1.0084	3.2288	3.2288	2.5038	2.5038	4.9822		4.0625	4.0625
H11	3.7770	2.0476	2.0476	3.2288	1.0084	3.2288	4.9822	2.5038	2.5038	4.0625		4.0625
H12	2.0476	3.7770	2.0476	3.2288	3.2288	1.0084	2.5038	4.9822	2.5038	4.0625	4.0625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.760	C1	N4	H10	116.620
C1	N6	C3	126.760	C1	N6	H12	116.620
C2	N4	H10	116.620	C2	N5	C3	126.760
C2	N5	H11	116.620	C3	N5	H11	116.620
C3	N6	H12	116.620	N4	C1	N6	113.240
N4	C1	O7	123.380	N4	C2	N5	113.240
N4	C2	O8	123.380	N5	C2	O8	123.380
N5	C3	N6	113.240	N5	C3	O9	123.380
N6	C1	O7	123.380	N6	C3	O9	123.380

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

using model chemistry: B3LYP/cc-pVTZ

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: B3LYP/cc-pVTZ

States and conformations

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