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	hartrees
Energy at 0K	-506.091051
Energy at 298.15K	-506.098577
HF Energy	-506.091051
Nuclear repulsion energy	448.774655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3651	3651	0.00
2	A₁'	1921	1921	0.00
3	A₁'	997	997	0.00
4	A₁'	682	682	0.00
5	A₂'	1393	1393	0.00
6	A₂'	1236	1236	0.00
7	A₂'	646	646	0.00
8	A₂"	784	784	111.16
9	A₂"	657	657	273.86
10	A₂"	133	133	1.44
11	E'	3648	3648	187.45
11	E'	3648	3648	188.07
12	E'	1896	1896	1081.80
12	E'	1896	1896	1080.73
13	E'	1500	1500	379.16
13	E'	1500	1500	379.51
14	E'	1421	1421	87.93
14	E'	1420	1420	88.14
15	E'	1048	1048	14.20
15	E'	1048	1048	14.14
16	E'	522	522	25.24
16	E'	521	521	25.29
17	E'	404	404	27.48
17	E'	404	404	27.10
18	E"	771	771	0.00
18	E"	771	771	0.00
19	E"	590	590	0.00
19	E"	590	590	0.00
20	E"	147	147	0.00
20	E"	147	147	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.716
C2	-1.241	0.716
C3	0.000	-1.433
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.278	1.315
O8	-2.278	1.315
O9	0.000	-2.631
H10	0.000	2.346
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4815	2.4815	1.3867	2.7684	1.3867	1.1979	3.5694	3.5694	2.0485	3.7790	2.0485
C2	2.4815		2.4815	1.3867	1.3867	2.7684	3.5694	1.1979	3.5694	2.0485	2.0485	3.7790
C3	2.4815	2.4815		2.7684	1.3867	1.3867	3.5694	3.5694	1.1979	3.7790	2.0485	2.0485
N4	1.3867	1.3867	2.7684		2.3135	2.3135	2.2782	2.2782	3.9663	1.0106	3.2285	3.2285
N5	2.7684	1.3867	1.3867	2.3135		2.3135	3.9662	2.2782	2.2782	3.2285	1.0106	3.2285
N6	1.3867	2.7684	1.3867	2.3135	2.3135		2.2782	3.9662	2.2782	3.2285	3.2285	1.0106
O7	1.1979	3.5694	3.5694	2.2782	3.9662	2.2782		4.5562	4.5562	2.5006	4.9769	2.5006
O8	3.5694	1.1979	3.5694	2.2782	2.2782	3.9662	4.5562		4.5562	2.5006	2.5006	4.9769
O9	3.5694	3.5694	1.1979	3.9663	2.2782	2.2782	4.5562	4.5562		4.9769	2.5006	2.5006
H10	2.0485	2.0485	3.7790	1.0106	3.2285	3.2285	2.5006	2.5006	4.9769		4.0640	4.0640
H11	3.7790	2.0485	2.0485	3.2285	1.0106	3.2285	4.9769	2.5006	2.5006	4.0640		4.0640
H12	2.0485	3.7790	2.0485	3.2285	3.2285	1.0106	2.5006	4.9769	2.5006	4.0640	4.0640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.942	C1	N4	H10	116.529
C1	N6	C3	126.942	C1	N6	H12	116.529
C2	N4	H10	116.529	C2	N5	C3	126.942
C2	N5	H11	116.529	C3	N5	H11	116.529
C3	N6	H12	116.529	N4	C1	N6	113.058
N4	C1	O7	123.471	N4	C2	N5	113.058
N4	C2	O8	123.471	N5	C2	O8	123.471
N5	C3	N6	113.058	N5	C3	O9	123.471
N6	C1	O7	123.471	N6	C3	O9	123.471

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

using model chemistry: M06-2X/6-311G**

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: M06-2X/6-311G**

States and conformations

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