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	hartrees
Energy at 0K	-501.495319
Energy at 298.15K	-501.502894
HF Energy	-500.557131
Nuclear repulsion energy	439.901250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3584	3410	0.00
2	A₁'	1779	1692	0.00
3	A₁'	990	942	0.00
4	A₁'	641	610	0.00
5	A₂'	1439	1369	0.00
6	A₂'	1158	1102	0.00
7	A₂'	627	597	0.00
8	A₂"	826	786	406.15
9	A₂"	708	674	191.33
10	A₂"	156	149	0.75
11	E'	3582	3408	127.37
11	E'	3582	3408	127.37
12	E'	1784	1697	627.81
12	E'	1784	1697	627.81
13	E'	1436	1366	0.01
13	E'	1436	1366	0.01
14	E'	1393	1325	428.78
14	E'	1393	1325	428.78
15	E'	1012	963	16.73
15	E'	1012	963	16.73
16	E'	510	485	22.97
16	E'	510	485	22.97
17	E'	387	369	20.86
17	E'	387	369	20.86
18	E"	776	738	0.00
18	E"	776	738	0.00
19	E"	672	639	0.00
19	E"	672	639	0.00
20	E"	155	147	0.00
20	E"	155	147	0.00

Atom	x (Å)	y (Å)
C1	1.262	0.728
C2	-1.262	0.728
C3	0.000	-1.457
N4	0.000	1.350
N5	-1.169	-0.675
N6	1.169	-0.675
O7	2.335	1.348
O8	-2.335	1.348
O9	0.000	-2.696
H10	0.000	2.366
H11	-2.049	-1.183
H12	2.049	-1.183

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5236	2.5236	1.4066	2.8072	1.4066	1.2394	3.6499	3.6499	2.0676	3.8234	2.0676
C2	2.5236		2.5236	1.4066	1.4066	2.8072	3.6499	1.2394	3.6499	2.0676	2.0676	3.8234
C3	2.5236	2.5236		2.8072	1.4066	1.4066	3.6499	3.6499	1.2394	3.8234	2.0676	2.0676
N4	1.4066	1.4066	2.8072		2.3386	2.3386	2.3351	2.3351	4.0465	1.0162	3.2585	3.2585
N5	2.8072	1.4066	1.4066	2.3386		2.3386	4.0465	2.3351	2.3351	3.2585	1.0162	3.2585
N6	1.4066	2.8072	1.4066	2.3386	2.3386		2.3351	4.0465	2.3351	3.2585	3.2585	1.0162
O7	1.2394	3.6499	3.6499	2.3351	4.0465	2.3351		4.6702	4.6702	2.5475	5.0628	2.5475
O8	3.6499	1.2394	3.6499	2.3351	2.3351	4.0465	4.6702		4.6702	2.5475	2.5475	5.0628
O9	3.6499	3.6499	1.2394	4.0465	2.3351	2.3351	4.6702	4.6702		5.0628	2.5475	2.5475
H10	2.0676	2.0676	3.8234	1.0162	3.2585	3.2585	2.5475	2.5475	5.0628		4.0987	4.0987
H11	3.8234	2.0676	2.0676	3.2585	1.0162	3.2585	5.0628	2.5475	2.5475	4.0987		4.0987
H12	2.0676	3.8234	2.0676	3.2585	3.2585	1.0162	2.5475	5.0628	2.5475	4.0987	4.0987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.541	C1	N4	H10	116.230
C1	N6	C3	127.541	C1	N6	H12	116.230
C2	N4	H10	116.230	C2	N5	C3	127.541
C2	N5	H11	116.230	C3	N5	H11	116.229
C3	N6	H12	116.229	N4	C1	N6	112.459
N4	C1	O7	123.770	N4	C2	N5	112.459
N4	C2	O8	123.770	N5	C2	O8	123.770
N5	C3	N6	112.459	N5	C3	O9	123.770
N6	C1	O7	123.770	N6	C3	O9	123.770

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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