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	hartrees
Energy at 0K	-95.120330
Energy at 298.15K	-95.127463
HF Energy	-94.173276
Nuclear repulsion energy	227.285746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3585	3499	0.00
2	A₁'	1677	1637	0.00
3	A₁'	964	941	0.00
4	A₁'	623	608	0.00
5	A₂'	1455	1421	0.00
6	A₂'	1202	1173	0.00
7	A₂'	583	569	0.00
8	A₂"	689	672	365.40
9	A₂"	640	624	149.74
10	A₂"	144	140	1.88
11	E'	3583	3497	120.57
11	E'	3583	3497	120.57
12	E'	1713	1672	891.51
12	E'	1713	1672	891.51
13	E'	1415	1381	78.31
13	E'	1415	1381	78.31
14	E'	1391	1358	380.87
14	E'	1391	1358	380.87
15	E'	998	974	22.47
15	E'	998	974	22.47
16	E'	502	490	24.26
16	E'	502	490	24.26
17	E'	361	352	24.94
17	E'	361	352	24.94
18	E"	663	647	0.00
18	E"	663	647	0.00
19	E"	586	572	0.00
19	E"	586	572	0.00
20	E"	126	123	0.00
20	E"	126	123	0.00

Atom	x (Å)	y (Å)
C1	1.270	0.733
C2	-1.270	0.733
C3	0.000	-1.466
N4	0.000	1.372
N5	-1.188	-0.686
N6	1.188	-0.686
O7	2.365	1.365
O8	-2.365	1.365
O9	0.000	-2.731
H10	0.000	2.391
H11	-2.071	-1.195
H12	2.071	-1.195

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5394	2.5394	1.4214	2.8381	1.4214	1.2646	3.6892	3.6892	2.0882	3.8570	2.0882
C2	2.5394		2.5394	1.4214	1.4214	2.8381	3.6892	1.2646	3.6892	2.0882	2.0882	3.8570
C3	2.5394	2.5394		2.8381	1.4214	1.4214	3.6892	3.6892	1.2646	3.8570	2.0882	2.0882
N4	1.4214	1.4214	2.8381		2.3763	2.3763	2.3649	2.3649	4.1027	1.0190	3.2983	3.2983
N5	2.8381	1.4214	1.4214	2.3763		2.3763	4.1027	2.3649	2.3649	3.2983	1.0190	3.2983
N6	1.4214	2.8381	1.4214	2.3763	2.3763		2.3649	4.1027	2.3649	3.2983	3.2983	1.0190
O7	1.2646	3.6892	3.6892	2.3649	4.1027	2.3649		4.7298	4.7298	2.5777	5.1216	2.5777
O8	3.6892	1.2646	3.6892	2.3649	2.3649	4.1027	4.7298		4.7298	2.5777	2.5777	5.1216
O9	3.6892	3.6892	1.2646	4.1027	2.3649	2.3649	4.7298	4.7298		5.1216	2.5777	2.5777
H10	2.0882	2.0882	3.8570	1.0190	3.2983	3.2983	2.5777	2.5777	5.1216		4.1412	4.1412
H11	3.8570	2.0882	2.0882	3.2983	1.0190	3.2983	5.1216	2.5777	2.5777	4.1412		4.1412
H12	2.0882	3.8570	2.0882	3.2983	3.2983	1.0190	2.5777	5.1216	2.5777	4.1412	4.1412

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.580	C1	N4	H10	116.710
C1	N6	C3	126.580	C1	N6	H12	116.710
C2	N4	H10	116.710	C2	N5	C3	126.580
C2	N5	H11	116.710	C3	N5	H11	116.710
C3	N6	H12	116.710	N4	C1	N6	113.420
N4	C1	O7	123.290	N4	C2	N5	113.420
N4	C2	O8	123.290	N5	C2	O8	123.290
N5	C3	N6	113.420	N5	C3	O9	123.290
N6	C1	O7	123.290	N6	C3	O9	123.290

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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