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	hartrees
Energy at 0K	-501.315075
Energy at 298.15K	-501.323073
HF Energy	-500.567614
Nuclear repulsion energy	446.183374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3715	3456	0.00
2	A₁'	1917	1784	0.00
3	A₁'	1038	966	0.00
4	A₁'	691	643	0.00
5	A₂'	1507	1402	0.00
6	A₂'	1276	1188	0.00
7	A₂'	666	620	0.00
8	A₂"	932	868	551.38
9	A₂"	736	685	180.11
10	A₂"	182	169	4.38
11	E'	3710	3453	159.56
11	E'	3710	3453	159.56
12	E'	1896	1765	875.12
12	E'	1896	1765	875.12
13	E'	1518	1412	34.07
13	E'	1518	1412	34.07
14	E'	1480	1377	441.11
14	E'	1480	1377	441.12
15	E'	1073	998	11.26
15	E'	1073	998	11.26
16	E'	542	504	26.71
16	E'	542	504	26.71
17	E'	412	383	29.61
17	E'	412	383	29.61
18	E"	847	788	0.00
18	E"	847	788	0.00
19	E"	717	668	0.00
19	E"	717	668	0.00
20	E"	174	162	0.00
20	E"	174	162	0.00

Atom	x (Å)	y (Å)
C1	1.243	0.718
C2	-1.243	0.718
C3	0.000	-1.435
N4	0.000	1.338
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.297	1.326
O8	-2.297	1.326
O9	0.000	-2.653
H10	0.000	2.345
H11	-2.031	-1.172
H12	2.031	-1.172

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4861	2.4861	1.3892	2.7732	1.3892	1.2174	3.5923	3.5923	2.0476	3.7802	2.0476
C2	2.4861		2.4861	1.3892	1.3892	2.7732	3.5923	1.2174	3.5923	2.0476	2.0476	3.7802
C3	2.4861	2.4861		2.7732	1.3892	1.3892	3.5923	3.5923	1.2174	3.7802	2.0476	2.0476
N4	1.3892	1.3892	2.7732		2.3172	2.3172	2.2974	2.2974	3.9906	1.0070	3.2288	3.2288
N5	2.7732	1.3892	1.3892	2.3172		2.3172	3.9906	2.2974	2.2974	3.2288	1.0070	3.2288
N6	1.3892	2.7732	1.3892	2.3172	2.3172		2.2974	3.9906	2.2974	3.2288	3.2288	1.0070
O7	1.2174	3.5923	3.5923	2.2974	3.9906	2.2974		4.5947	4.5947	2.5130	4.9976	2.5130
O8	3.5923	1.2174	3.5923	2.2974	2.2974	3.9906	4.5947		4.5947	2.5130	2.5130	4.9976
O9	3.5923	3.5923	1.2174	3.9906	2.2974	2.2974	4.5947	4.5947		4.9976	2.5130	2.5130
H10	2.0476	2.0476	3.7802	1.0070	3.2288	3.2288	2.5130	2.5130	4.9976		4.0614	4.0614
H11	3.7802	2.0476	2.0476	3.2288	1.0070	3.2288	4.9976	2.5130	2.5130	4.0614		4.0614
H12	2.0476	3.7802	2.0476	3.2288	3.2288	1.0070	2.5130	4.9976	2.5130	4.0614	4.0614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.970	C1	N4	H10	116.515
C1	N6	C3	126.970	C1	N6	H12	116.515
C2	N4	H10	116.515	C2	N5	C3	126.970
C2	N5	H11	116.515	C3	N5	H11	116.515
C3	N6	H12	116.515	N4	C1	N6	113.030
N4	C1	O7	123.485	N4	C2	N5	113.030
N4	C2	O8	123.485	N5	C2	O8	123.485
N5	C3	N6	113.030	N5	C3	O9	123.485
N6	C1	O7	123.485	N6	C3	O9	123.485

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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