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	hartrees
Energy at 0K	-503.687032
Energy at 298.15K	-503.694440
HF Energy	-503.687032
Nuclear repulsion energy	449.146131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3537	3494	0.00
2	A₁'	1859	1836	0.00
3	A₁'	981	969	0.00
4	A₁'	665	657	0.00
5	A₂'	1311	1295	0.00
6	A₂'	1222	1207	0.00
7	A₂'	611	603	0.00
8	A₂"	765	756	119.25
9	A₂"	662	654	219.01
10	A₂"	134	132	2.88
11	E'	3534	3490	179.69
11	E'	3534	3490	179.68
12	E'	1838	1815	864.47
12	E'	1838	1815	864.61
13	E'	1456	1438	334.26
13	E'	1456	1438	334.20
14	E'	1358	1342	13.47
14	E'	1358	1342	13.47
15	E'	1010	998	5.43
15	E'	1010	998	5.43
16	E'	507	501	22.98
16	E'	507	501	22.98
17	E'	384	380	23.70
17	E'	384	380	23.70
18	E"	747	738	0.00
18	E"	747	738	0.00
19	E"	599	591	0.00
19	E"	599	591	0.00
20	E"	151	149	0.00
20	E"	151	149	0.00

Atom	x (Å)	y (Å)
C1	1.236	0.714
C2	-1.236	0.714
C3	0.000	-1.427
N4	0.000	1.327
N5	-1.149	-0.664
N6	1.149	-0.664
O7	2.280	1.316
O8	-2.280	1.316
O9	0.000	-2.633
H10	0.000	2.348
H11	-2.033	-1.174
H12	2.033	-1.174

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4724	2.4724	1.3801	2.7547	1.3801	1.2053	3.5675	3.5675	2.0488	3.7750	2.0488
C2	2.4724		2.4724	1.3801	1.3801	2.7547	3.5675	1.2053	3.5675	2.0488	2.0488	3.7750
C3	2.4724	2.4724		2.7547	1.3801	1.3801	3.5675	3.5675	1.2053	3.7750	2.0488	2.0488
N4	1.3801	1.3801	2.7547		2.2988	2.2988	2.2800	2.2800	3.9599	1.0204	3.2231	3.2231
N5	2.7547	1.3801	1.3801	2.2988		2.2988	3.9599	2.2800	2.2800	3.2231	1.0204	3.2231
N6	1.3801	2.7547	1.3801	2.2988	2.2988		2.2800	3.9599	2.2800	3.2231	3.2231	1.0204
O7	1.2053	3.5675	3.5675	2.2800	3.9599	2.2800		4.5600	4.5600	2.5024	4.9803	2.5024
O8	3.5675	1.2053	3.5675	2.2800	2.2800	3.9599	4.5600		4.5600	2.5024	2.5024	4.9803
O9	3.5675	3.5675	1.2053	3.9599	2.2800	2.2800	4.5600	4.5600		4.9803	2.5024	2.5024
H10	2.0488	2.0488	3.7750	1.0204	3.2231	3.2231	2.5024	2.5024	4.9803		4.0661	4.0661
H11	3.7750	2.0488	2.0488	3.2231	1.0204	3.2231	4.9803	2.5024	2.5024	4.0661		4.0661
H12	2.0488	3.7750	2.0488	3.2231	3.2231	1.0204	2.5024	4.9803	2.5024	4.0661	4.0661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.211	C1	N4	H10	116.394
C1	N6	C3	127.211	C1	N6	H12	116.394
C2	N4	H10	116.394	C2	N5	C3	127.211
C2	N5	H11	116.394	C3	N5	H11	116.394
C3	N6	H12	116.394	N4	C1	N6	112.789
N4	C1	O7	123.606	N4	C2	N5	112.789
N4	C2	O8	123.606	N5	C2	O8	123.606
N5	C3	N6	112.789	N5	C3	O9	123.606
N6	C1	O7	123.606	N6	C3	O9	123.606

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

using model chemistry: LSDA/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: LSDA/6-311G**

States and conformations

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