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	hartrees
Energy at 0K	-501.511514
Energy at 298.15K	-501.519094
HF Energy	-500.557238
Nuclear repulsion energy	439.956554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3585	3398	0.00
2	A₁'	1779	1687	0.00
3	A₁'	990	939	0.00
4	A₁'	641	608	0.00
5	A₂'	1438	1364	0.00
6	A₂'	1159	1099	0.00
7	A₂'	628	595	0.00
8	A₂"	827	784	405.92
9	A₂"	709	672	191.32
10	A₂"	157	149	0.77
11	E'	3583	3396	127.49
11	E'	3583	3396	127.49
12	E'	1784	1691	628.22
12	E'	1784	1691	628.22
13	E'	1436	1361	0.03
13	E'	1436	1361	0.03
14	E'	1394	1321	428.45
14	E'	1394	1321	428.45
15	E'	1013	960	16.67
15	E'	1013	960	16.67
16	E'	510	483	22.95
16	E'	510	483	22.95
17	E'	388	368	20.87
17	E'	388	368	20.87
18	E"	776	736	0.00
18	E"	776	736	0.00
19	E"	673	638	0.00
19	E"	673	638	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		2.5232	2.5232	1.4064	2.8067	1.4064	1.2393	3.6494	3.6494	2.0673	3.8229	2.0673
C2	2.5232		2.5232	1.4064	1.4064	2.8067	3.6494	1.2393	3.6494	2.0673	2.0673	3.8229
C3	2.5232	2.5232		2.8067	1.4064	1.4064	3.6494	3.6494	1.2393	3.8229	2.0673	2.0673
N4	1.4064	1.4064	2.8067		2.3382	2.3382	2.3348	2.3348	4.0460	1.0162	3.2581	3.2581
N5	2.8067	1.4064	1.4064	2.3382		2.3382	4.0460	2.3348	2.3348	3.2581	1.0162	3.2581
N6	1.4064	2.8067	1.4064	2.3382	2.3382		2.3348	4.0460	2.3348	3.2581	3.2581	1.0162
O7	1.2393	3.6494	3.6494	2.3348	4.0460	2.3348		4.6697	4.6697	2.5472	5.0622	2.5472
O8	3.6494	1.2393	3.6494	2.3348	2.3348	4.0460	4.6697		4.6697	2.5472	2.5472	5.0622
O9	3.6494	3.6494	1.2393	4.0460	2.3348	2.3348	4.6697	4.6697		5.0622	2.5472	2.5472
H10	2.0673	2.0673	3.8229	1.0162	3.2581	3.2581	2.5472	2.5472	5.0622		4.0983	4.0983
H11	3.8229	2.0673	2.0673	3.2581	1.0162	3.2581	5.0622	2.5472	2.5472	4.0983		4.0983
H12	2.0673	3.8229	2.0673	3.2581	3.2581	1.0162	2.5472	5.0622	2.5472	4.0983	4.0983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.539	C1	N4	H10	116.231
C1	N6	C3	127.539	C1	N6	H12	116.231
C2	N4	H10	116.231	C2	N5	C3	127.539
C2	N5	H11	116.231	C3	N5	H11	116.231
C3	N6	H12	116.231	N4	C1	N6	112.461
N4	C1	O7	123.769	N4	C2	N5	112.461
N4	C2	O8	123.769	N5	C2	O8	123.769
N5	C3	N6	112.461	N5	C3	O9	123.769
N6	C1	O7	123.769	N6	C3	O9	123.769

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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