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	hartrees
Energy at 0K	-505.880224
Energy at 298.15K	-505.887644
HF Energy	-505.343989
Nuclear repulsion energy	447.253409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3664	3664	0.00
2	A₁'	1855	1855	0.00
3	A₁'	998	998	0.00
4	A₁'	666	666	0.00
5	A₂'	1414	1414	0.00
6	A₂'	1220	1220	0.00
7	A₂'	632	632	0.00
8	A₂"	759	759	111.27
9	A₂"	673	673	290.34
10	A₂"	125	125	0.80
11	E'	3662	3662	134.31
11	E'	3662	3662	134.28
12	E'	1845	1845	942.67
12	E'	1845	1845	942.64
13	E'	1475	1475	254.11
13	E'	1475	1475	254.19
14	E'	1427	1427	140.08
14	E'	1427	1427	140.13
15	E'	1038	1038	14.88
15	E'	1038	1038	14.88
16	E'	519	519	25.96
16	E'	519	519	25.96
17	E'	393	393	24.41
17	E'	393	393	24.42
18	E"	755	755	0.00
18	E"	755	755	0.00
19	E"	599	599	0.00
19	E"	599	599	0.00
20	E"	142	142	0.00
20	E"	142	142	0.00

Atom	x (Å)	y (Å)
C1	1.244	0.718
C2	-1.244	0.718
C3	0.000	-1.436
N4	0.000	1.337
N5	-1.158	-0.669
N6	1.158	-0.669
O7	2.289	1.321
O8	-2.289	1.321
O9	0.000	-2.643
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		2.4877	2.4877	1.3895	2.7737	1.3895	1.2065	3.5837	3.5837	2.0487	3.7823	2.0487
C2	2.4877		2.4877	1.3895	1.3895	2.7737	3.5837	1.2065	3.5837	2.0487	2.0487	3.7823
C3	2.4877	2.4877		2.7737	1.3895	1.3895	3.5837	3.5837	1.2065	3.7823	2.0487	2.0487
N4	1.3895	1.3895	2.7737		2.3165	2.3165	2.2887	2.2887	3.9802	1.0086	3.2296	3.2296
N5	2.7737	1.3895	1.3895	2.3165		2.3165	3.9802	2.2887	2.2887	3.2296	1.0086	3.2296
N6	1.3895	2.7737	1.3895	2.3165	2.3165		2.2887	3.9802	2.2887	3.2296	3.2296	1.0086
O7	1.2065	3.5837	3.5837	2.2887	3.9802	2.2887		4.5774	4.5774	2.5076	4.9888	2.5076
O8	3.5837	1.2065	3.5837	2.2887	2.2887	3.9802	4.5774		4.5774	2.5076	2.5076	4.9888
O9	3.5837	3.5837	1.2065	3.9802	2.2887	2.2887	4.5774	4.5774		4.9888	2.5076	2.5076
H10	2.0487	2.0487	3.7823	1.0086	3.2296	3.2296	2.5076	2.5076	4.9888		4.0634	4.0634
H11	3.7823	2.0487	2.0487	3.2296	1.0086	3.2296	4.9888	2.5076	2.5076	4.0634		4.0634
H12	2.0487	3.7823	2.0487	3.2296	3.2296	1.0086	2.5076	4.9888	2.5076	4.0634	4.0634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.063	C1	N4	H10	116.468
C1	N6	C3	127.063	C1	N6	H12	116.468
C2	N4	H10	116.468	C2	N5	C3	127.063
C2	N5	H11	116.468	C3	N5	H11	116.468
C3	N6	H12	116.468	N4	C1	N6	112.937
N4	C1	O7	123.531	N4	C2	N5	112.937
N4	C2	O8	123.531	N5	C2	O8	123.532
N5	C3	N6	112.937	N5	C3	O9	123.532
N6	C1	O7	123.532	N6	C3	O9	123.532

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G*

States and conformations

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