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	hartrees
Energy at 0K	-501.511732
Energy at 298.15K	-501.519352
HF Energy	-500.559202
Nuclear repulsion energy	440.726623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3575	3436	0.00
2	A₁'	1788	1718	0.00
3	A₁'	991	953	0.00
4	A₁'	648	623	0.00
5	A₂'	1439	1383	0.00
6	A₂'	1181	1135	0.00
7	A₂'	630	605	0.00
8	A₂"	845	812	458.51
9	A₂"	703	676	178.16
10	A₂"	163	157	1.83
11	E'	3572	3433	118.49
11	E'	3572	3433	118.49
12	E'	1781	1712	695.13
12	E'	1781	1712	695.13
13	E'	1436	1380	0.01
13	E'	1436	1380	0.01
14	E'	1403	1348	415.33
14	E'	1403	1348	415.34
15	E'	1014	975	14.93
15	E'	1014	975	14.93
16	E'	513	493	25.10
16	E'	513	493	25.10
17	E'	389	374	24.07
17	E'	389	374	24.08
18	E"	780	749	0.00
18	E"	780	749	0.00
19	E"	672	646	0.00
19	E"	672	646	0.00
20	E"	159	152	0.00
20	E"	159	152	0.00

Atom	x (Å)	y (Å)
C1	1.259	0.727
C2	-1.259	0.727
C3	0.000	-1.454
N4	0.000	1.350
N5	-1.169	-0.675
N6	1.169	-0.675
O7	2.329	1.344
O8	-2.329	1.344
O9	0.000	-2.689
H10	0.000	2.367
H11	-2.050	-1.183
H12	2.050	-1.183

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5178	2.5178	1.4049	2.8040	1.4049	1.2353	3.6404	3.6404	2.0675	3.8205	2.0675
C2	2.5178		2.5178	1.4049	1.4049	2.8040	3.6404	1.2353	3.6404	2.0675	2.0675	3.8205
C3	2.5178	2.5178		2.8040	1.4049	1.4049	3.6404	3.6404	1.2353	3.8205	2.0675	2.0675
N4	1.4049	1.4049	2.8040		2.3390	2.3390	2.3287	2.3287	4.0394	1.0165	3.2591	3.2591
N5	2.8040	1.4049	1.4049	2.3390		2.3390	4.0394	2.3287	2.3287	3.2591	1.0165	3.2591
N6	1.4049	2.8040	1.4049	2.3390	2.3390		2.3287	4.0394	2.3287	3.2591	3.2591	1.0165
O7	1.2353	3.6404	3.6404	2.3287	4.0394	2.3287		4.6575	4.6575	2.5433	5.0559	2.5433
O8	3.6404	1.2353	3.6404	2.3287	2.3287	4.0394	4.6575		4.6575	2.5433	2.5433	5.0559
O9	3.6404	3.6404	1.2353	4.0394	2.3287	2.3287	4.6575	4.6575		5.0559	2.5433	2.5433
H10	2.0675	2.0675	3.8205	1.0165	3.2591	3.2591	2.5433	2.5433	5.0559		4.0995	4.0995
H11	3.8205	2.0675	2.0675	3.2591	1.0165	3.2591	5.0559	2.5433	2.5433	4.0995		4.0995
H12	2.0675	3.8205	2.0675	3.2591	3.2591	1.0165	2.5433	5.0559	2.5433	4.0995	4.0995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.299	C1	N4	H10	116.351
C1	N6	C3	127.299	C1	N6	H12	116.351
C2	N4	H10	116.351	C2	N5	C3	127.299
C2	N5	H11	116.351	C3	N5	H11	116.351
C3	N6	H12	116.351	N4	C1	N6	112.701
N4	C1	O7	123.649	N4	C2	N5	112.701
N4	C2	O8	123.649	N5	C2	O8	123.649
N5	C3	N6	112.701	N5	C3	O9	123.649
N6	C1	O7	123.649	N6	C3	O9	123.649

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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