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	hartrees
Energy at 0K	-505.503072
Energy at 298.15K	-505.510742
HF Energy	-503.582157
Nuclear repulsion energy	449.702389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3639	3463	0.00
2	A₁'	1845	1756	0.00
3	A₁'	1004	955	0.00
4	A₁'	674	641	0.00
5	A₂'	1375	1308	0.00
6	A₂'	1257	1196	0.00
7	A₂'	630	599	0.00
8	A₂"	798	760	82.52
9	A₂"	681	648	233.12
10	A₂"	157	149	3.46
11	E'	3637	3460	176.22
11	E'	3637	3460	176.22
12	E'	1832	1743	1018.94
12	E'	1832	1743	1018.94
13	E'	1486	1414	363.82
13	E'	1486	1414	363.82
14	E'	1403	1334	39.47
14	E'	1403	1334	39.47
15	E'	1046	996	18.28
15	E'	1046	996	18.28
16	E'	520	494	23.17
16	E'	520	494	23.17
17	E'	393	374	25.92
17	E'	393	374	25.92
18	E"	788	750	0.00
18	E"	788	750	0.00
19	E"	617	587	0.00
19	E"	617	587	0.00
20	E"	170	161	0.00
20	E"	170	161	0.00

Atom	x (Å)	y (Å)
C1	1.232	0.711
C2	-1.232	0.711
C3	0.000	-1.423
N4	0.000	1.328
N5	-1.150	-0.664
N6	1.150	-0.664
O7	2.278	1.315
O8	-2.278	1.315
O9	0.000	-2.631
H10	0.000	2.335
H11	-2.022	-1.167
H12	2.022	-1.167

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4646	2.4646	1.3778	2.7506	1.3778	1.2076	3.5620	3.5620	2.0381	3.7578	2.0381
C2	2.4646		2.4646	1.3778	1.3778	2.7506	3.5620	1.2076	3.5620	2.0381	2.0381	3.7578
C3	2.4646	2.4646		2.7506	1.3778	1.3778	3.5620	3.5620	1.2076	3.7578	2.0381	2.0381
N4	1.3778	1.3778	2.7506		2.2995	2.2995	2.2782	2.2782	3.9582	1.0072	3.2115	3.2115
N5	2.7506	1.3778	1.3778	2.2995		2.2995	3.9582	2.2782	2.2782	3.2115	1.0072	3.2115
N6	1.3778	2.7506	1.3778	2.2995	2.2995		2.2782	3.9582	2.2782	3.2115	3.2115	1.0072
O7	1.2076	3.5620	3.5620	2.2782	3.9582	2.2782		4.5563	4.5563	2.4959	4.9654	2.4959
O8	3.5620	1.2076	3.5620	2.2782	2.2782	3.9582	4.5563		4.5563	2.4959	2.4959	4.9654
O9	3.5620	3.5620	1.2076	3.9582	2.2782	2.2782	4.5563	4.5563		4.9654	2.4959	2.4959
H10	2.0381	2.0381	3.7578	1.0072	3.2115	3.2115	2.4959	2.4959	4.9654		4.0440	4.0440
H11	3.7578	2.0381	2.0381	3.2115	1.0072	3.2115	4.9654	2.4959	2.4959	4.0440		4.0440
H12	2.0381	3.7578	2.0381	3.2115	3.2115	1.0072	2.4959	4.9654	2.4959	4.0440	4.0440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.872	C1	N4	H10	116.564
C1	N6	C3	126.872	C1	N6	H12	116.564
C2	N4	H10	116.564	C2	N5	C3	126.872
C2	N5	H11	116.564	C3	N5	H11	116.564
C3	N6	H12	116.564	N4	C1	N6	113.128
N4	C1	O7	123.436	N4	C2	N5	113.128
N4	C2	O8	123.436	N5	C2	O8	123.436
N5	C3	N6	113.128	N5	C3	O9	123.436
N6	C1	O7	123.436	N6	C3	O9	123.436

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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