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	hartrees
Energy at 0K	-505.799844
Energy at 298.15K	-505.807301
HF Energy	-505.260066
Nuclear repulsion energy	447.829428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3664	3499	0.00
2	A₁'	1863	1779	0.00
3	A₁'	994	949	0.00
4	A₁'	668	638	0.00
5	A₂'	1372	1310	0.00
6	A₂'	1233	1178	0.00
7	A₂'	626	597	0.00
8	A₂"	767	732	79.60
9	A₂"	673	642	253.85
10	A₂"	126	121	1.50
11	E'	3662	3497	156.72
11	E'	3662	3497	156.69
12	E'	1848	1765	836.29
12	E'	1848	1765	836.26
13	E'	1469	1403	324.82
13	E'	1469	1403	324.85
14	E'	1404	1341	43.56
14	E'	1404	1341	43.55
15	E'	1033	987	10.13
15	E'	1033	987	10.13
16	E'	515	492	24.63
16	E'	515	492	24.63
17	E'	390	373	24.64
17	E'	390	373	24.65
18	E"	765	731	0.00
18	E"	765	731	0.00
19	E"	603	576	0.00
19	E"	603	576	0.00
20	E"	151	144	0.00
20	E"	151	144	0.00

Atom	x (Å)	y (Å)
C1	1.242	0.717
C2	-1.242	0.717
C3	0.000	-1.434
N4	0.000	1.335
N5	-1.156	-0.667
N6	1.156	-0.667
O7	2.286	1.320
O8	-2.286	1.320
O9	0.000	-2.640
H10	0.000	2.343
H11	-2.029	-1.172
H12	2.029	-1.172

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4834	2.4834	1.3868	2.7683	1.3868	1.2064	3.5793	3.5793	2.0460	3.7769	2.0460
C2	2.4834		2.4834	1.3868	1.3868	2.7683	3.5793	1.2064	3.5793	2.0460	2.0460	3.7769
C3	2.4834	2.4834		2.7683	1.3868	1.3868	3.5793	3.5793	1.2064	3.7769	2.0460	2.0460
N4	1.3868	1.3868	2.7683		2.3114	2.3114	2.2865	2.2865	3.9746	1.0086	3.2245	3.2245
N5	2.7683	1.3868	1.3868	2.3114		2.3114	3.9746	2.2865	2.2865	3.2245	1.0086	3.2245
N6	1.3868	2.7683	1.3868	2.3114	2.3114		2.2865	3.9746	2.2865	3.2245	3.2245	1.0086
O7	1.2064	3.5793	3.5793	2.2865	3.9746	2.2865		4.5729	4.5729	2.5049	4.9832	2.5049
O8	3.5793	1.2064	3.5793	2.2865	2.2865	3.9746	4.5729		4.5729	2.5049	2.5049	4.9832
O9	3.5793	3.5793	1.2064	3.9746	2.2865	2.2865	4.5729	4.5729		4.9832	2.5049	2.5049
H10	2.0460	2.0460	3.7769	1.0086	3.2245	3.2245	2.5049	2.5049	4.9832		4.0583	4.0583
H11	3.7769	2.0460	2.0460	3.2245	1.0086	3.2245	4.9832	2.5049	2.5049	4.0583		4.0583
H12	2.0460	3.7769	2.0460	3.2245	3.2245	1.0086	2.5049	4.9832	2.5049	4.0583	4.0583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.109	C1	N4	H10	116.445
C1	N6	C3	127.109	C1	N6	H12	116.445
C2	N4	H10	116.445	C2	N5	C3	127.109
C2	N5	H11	116.445	C3	N5	H11	116.445
C3	N6	H12	116.445	N4	C1	N6	112.891
N4	C1	O7	123.555	N4	C2	N5	112.891
N4	C2	O8	123.555	N5	C2	O8	123.555
N5	C3	N6	112.891	N5	C3	O9	123.555
N6	C1	O7	123.555	N6	C3	O9	123.555

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

using model chemistry: B2PLYP/6-31G(2df,p)

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: B2PLYP/6-31G(2df,p)

States and conformations

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