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	hartrees
Energy at 0K	-504.783480
Energy at 298.15K	-504.790978
HF Energy	-503.384193
Nuclear repulsion energy	448.087614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3690	3462	0.00
2	A₁'	1955	1834	0.00
3	A₁'	1018	955	0.00
4	A₁'	696	653	0.00
5	A₂'	1425	1337	0.00
6	A₂'	1304	1224	0.00
7	A₂'	642	603	0.00
8	A₂"	744	698	117.78
9	A₂"	674	632	368.92
10	A₂"	126	118	0.21
11	E'	3687	3460	174.59
11	E'	3687	3460	174.59
12	E'	1933	1814	1040.49
12	E'	1933	1814	1040.50
13	E'	1539	1444	406.80
13	E'	1539	1444	406.81
14	E'	1454	1365	46.38
14	E'	1454	1365	46.38
15	E'	1070	1004	14.13
15	E'	1070	1004	14.13
16	E'	533	500	24.15
16	E'	533	500	24.15
17	E'	401	376	30.61
17	E'	401	376	30.63
18	E"	758	711	0.00
18	E"	758	711	0.00
19	E"	604	567	0.00
19	E"	604	567	0.00
20	E"	150	140	0.00
20	E"	150	140	0.00

Atom	x (Å)	y (Å)
C1	1.239	0.715
C2	-1.239	0.715
C3	0.000	-1.430
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.284	1.319
O8	-2.284	1.319
O9	0.000	-2.637
H10	0.000	2.347
H11	-2.033	-1.174
H12	2.033	-1.174

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4772	2.4772	1.3854	2.7660	1.3854	1.2068	3.5736	3.5736	2.0490	3.7775	2.0490
C2	2.4772		2.4772	1.3854	1.3854	2.7660	3.5736	1.2068	3.5736	2.0490	2.0490	3.7775
C3	2.4772	2.4772		2.7660	1.3854	1.3854	3.5736	3.5736	1.2068	3.7775	2.0490	2.0490
N4	1.3854	1.3854	2.7660		2.3136	2.3136	2.2838	2.2838	3.9728	1.0116	3.2295	3.2295
N5	2.7660	1.3854	1.3854	2.3136		2.3136	3.9728	2.2838	2.2838	3.2295	1.0116	3.2295
N6	1.3854	2.7660	1.3854	2.3136	2.3136		2.2838	3.9728	2.2838	3.2295	3.2295	1.0116
O7	1.2068	3.5736	3.5736	2.2838	3.9728	2.2838		4.5675	4.5675	2.5048	4.9843	2.5048
O8	3.5736	1.2068	3.5736	2.2838	2.2838	3.9728	4.5675		4.5675	2.5048	2.5048	4.9843
O9	3.5736	3.5736	1.2068	3.9728	2.2838	2.2838	4.5675	4.5675		4.9843	2.5048	2.5048
H10	2.0490	2.0490	3.7775	1.0116	3.2295	3.2295	2.5048	2.5048	4.9843		4.0657	4.0657
H11	3.7775	2.0490	2.0490	3.2295	1.0116	3.2295	4.9843	2.5048	2.5048	4.0657		4.0657
H12	2.0490	3.7775	2.0490	3.2295	3.2295	1.0116	2.5048	4.9843	2.5048	4.0657	4.0657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.770	C1	N4	H10	116.615
C1	N6	C3	126.770	C1	N6	H12	116.615
C2	N4	H10	116.615	C2	N5	C3	126.770
C2	N5	H11	116.615	C3	N5	H11	116.615
C3	N6	H12	116.615	N4	C1	N6	113.230
N4	C1	O7	123.385	N4	C2	N5	113.230
N4	C2	O8	123.385	N5	C2	O8	123.385
N5	C3	N6	113.230	N5	C3	O9	123.385
N6	C1	O7	123.385	N6	C3	O9	123.385

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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