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	hartrees
Energy at 0K	-504.092388
Energy at 298.15K	-504.099848
HF Energy	-503.123505
Nuclear repulsion energy	438.662632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3631	3449	0.00
2	A₁'	1750	1663	0.00
3	A₁'	993	944	0.00
4	A₁'	651	619	0.00
5	A₂'	1449	1377	0.00
6	A₂'	1228	1166	0.00
7	A₂'	620	589	0.00
8	A₂"	732	696	593.88
9	A₂"	674	641	24.19
10	A₂"	146	139	1.56
11	E'	3629	3448	141.98
11	E'	3629	3448	141.98
12	E'	1766	1678	775.91
12	E'	1766	1678	775.91
13	E'	1434	1363	6.82
13	E'	1434	1363	6.82
14	E'	1427	1356	395.59
14	E'	1427	1356	395.59
15	E'	1026	975	17.96
15	E'	1026	975	17.96
16	E'	519	493	23.46
16	E'	519	493	23.46
17	E'	381	362	23.06
17	E'	381	362	23.06
18	E"	715	679	0.00
18	E"	715	679	0.00
19	E"	649	617	0.00
19	E"	649	617	0.00
20	E"	156	149	0.00
20	E"	156	149	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	1.355
N5	-1.174	-0.678
N6	1.174	-0.678
O7	2.343	1.353
O8	-2.343	1.353
O9	0.000	-2.705
H10	0.000	2.370
H11	-2.053	-1.185
H12	2.053	-1.185

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5182	2.5182	1.4072	2.8093	1.4072	1.2513	3.6558	3.6558	2.0703	3.8243	2.0703
C2	2.5182		2.5182	1.4072	1.4072	2.8093	3.6558	1.2513	3.6558	2.0703	2.0703	3.8243
C3	2.5182	2.5182		2.8093	1.4072	1.4072	3.6558	3.6558	1.2513	3.8243	2.0703	2.0703
N4	1.4072	1.4072	2.8093		2.3476	2.3476	2.3428	2.3428	4.0606	1.0150	3.2663	3.2663
N5	2.8093	1.4072	1.4072	2.3476		2.3476	4.0606	2.3428	2.3428	3.2663	1.0150	3.2663
N6	1.4072	2.8093	1.4072	2.3476	2.3476		2.3428	4.0606	2.3428	3.2663	3.2663	1.0150
O7	1.2513	3.6558	3.6558	2.3428	4.0606	2.3428		4.6856	4.6856	2.5543	5.0756	2.5543
O8	3.6558	1.2513	3.6558	2.3428	2.3428	4.0606	4.6856		4.6856	2.5543	2.5543	5.0756
O9	3.6558	3.6558	1.2513	4.0606	2.3428	2.3428	4.6856	4.6856		5.0756	2.5543	2.5543
H10	2.0703	2.0703	3.8243	1.0150	3.2663	3.2663	2.5543	2.5543	5.0756		4.1056	4.1056
H11	3.8243	2.0703	2.0703	3.2663	1.0150	3.2663	5.0756	2.5543	2.5543	4.1056		4.1056
H12	2.0703	3.8243	2.0703	3.2663	3.2663	1.0150	2.5543	5.0756	2.5543	4.1056	4.1056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.951	C1	N4	H10	116.524
C1	N6	C3	126.951	C1	N6	H12	116.524
C2	N4	H10	116.524	C2	N5	C3	126.951
C2	N5	H11	116.524	C3	N5	H11	116.524
C3	N6	H12	116.524	N4	C1	N6	113.049
N4	C1	O7	123.476	N4	C2	N5	113.049
N4	C2	O8	123.476	N5	C2	O8	123.476
N5	C3	N6	113.049	N5	C3	O9	123.476
N6	C1	O7	123.476	N6	C3	O9	123.476

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

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

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