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	hartrees
Energy at 0K	-504.788067
Energy at 298.15K	-504.795437
HF Energy	-503.380104
Nuclear repulsion energy	446.170987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3642	3431	0.00
2	A₁'	1885	1776	0.00
3	A₁'	1003	945	0.00
4	A₁'	675	636	0.00
5	A₂'	1398	1317	0.00
6	A₂'	1268	1195	0.00
7	A₂'	624	588	0.00
8	A₂"	713	672	63.14
9	A₂"	679	640	388.19
10	A₂"	119	112	0.05
11	E'	3640	3430	179.15
11	E'	3640	3430	179.15
12	E'	1880	1771	875.89
12	E'	1880	1771	875.89
13	E'	1501	1414	381.39
13	E'	1501	1414	381.39
14	E'	1424	1342	29.71
14	E'	1424	1342	29.71
15	E'	1052	992	13.25
15	E'	1052	992	13.25
16	E'	520	490	21.42
16	E'	520	490	21.42
17	E'	389	367	25.39
17	E'	389	367	25.39
18	E"	737	695	0.00
18	E"	737	695	0.00
19	E"	607	572	0.00
19	E"	607	572	0.00
20	E"	145	137	0.00
20	E"	145	137	0.00

Atom	x (Å)	y (Å)
C1	1.244	0.718
C2	-1.244	0.718
C3	0.000	-1.436
N4	0.000	1.335
N5	-1.156	-0.667
N6	1.156	-0.667
O7	2.298	1.327
O8	-2.298	1.327
O9	0.000	-2.654
H10	0.000	2.350
H11	-2.035	-1.175
H12	2.035	-1.175

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4872	2.4872	1.3881	2.7707	1.3881	1.2176	3.5936	3.5936	2.0516	3.7857	2.0516
C2	2.4872		2.4872	1.3881	1.3881	2.7707	3.5936	1.2176	3.5936	2.0516	2.0516	3.7857
C3	2.4872	2.4872		2.7707	1.3881	1.3881	3.5936	3.5936	1.2176	3.7857	2.0516	2.0516
N4	1.3881	1.3881	2.7707		2.3118	2.3118	2.2981	2.2981	3.9883	1.0150	3.2310	3.2310
N5	2.7707	1.3881	1.3881	2.3118		2.3118	3.9883	2.2981	2.2981	3.2310	1.0150	3.2310
N6	1.3881	2.7707	1.3881	2.3118	2.3118		2.2981	3.9883	2.2981	3.2310	3.2310	1.0150
O7	1.2176	3.5936	3.5936	2.2981	3.9883	2.2981		4.5962	4.5962	2.5155	5.0034	2.5155
O8	3.5936	1.2176	3.5936	2.2981	2.2981	3.9883	4.5962		4.5962	2.5155	2.5155	5.0034
O9	3.5936	3.5936	1.2176	3.9883	2.2981	2.2981	4.5962	4.5962		5.0034	2.5155	2.5155
H10	2.0516	2.0516	3.7857	1.0150	3.2310	3.2310	2.5155	2.5155	5.0034		4.0699	4.0699
H11	3.7857	2.0516	2.0516	3.2310	1.0150	3.2310	5.0034	2.5155	2.5155	4.0699		4.0699
H12	2.0516	3.7857	2.0516	3.2310	3.2310	1.0150	2.5155	5.0034	2.5155	4.0699	4.0699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.242	C1	N4	H10	116.379
C1	N6	C3	127.242	C1	N6	H12	116.379
C2	N4	H10	116.379	C2	N5	C3	127.242
C2	N5	H11	116.379	C3	N5	H11	116.379
C3	N6	H12	116.379	N4	C1	N6	112.758
N4	C1	O7	123.621	N4	C2	N5	112.758
N4	C2	O8	123.621	N5	C2	O8	123.621
N5	C3	N6	112.758	N5	C3	O9	123.621
N6	C1	O7	123.621	N6	C3	O9	123.621

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)