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	hartrees
Energy at 0K	-506.171382
Energy at 298.15K	-506.178798
HF Energy	-506.171382
Nuclear repulsion energy	446.209545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3616	3507	0.00
2	A₁'	1861	1805	0.00
3	A₁'	987	957	0.00
4	A₁'	664	644	0.00
5	A₂'	1363	1322	0.00
6	A₂'	1223	1186	0.00
7	A₂'	632	613	0.00
8	A₂"	755	733	79.48
9	A₂"	664	644	243.10
10	A₂"	118	115	1.66
11	E'	3614	3505	151.21
11	E'	3614	3505	151.22
12	E'	1842	1787	900.01
12	E'	1842	1787	900.00
13	E'	1467	1423	310.48
13	E'	1467	1423	310.42
14	E'	1398	1356	58.78
14	E'	1398	1356	58.80
15	E'	1029	998	10.62
15	E'	1029	998	10.62
16	E'	515	499	26.23
16	E'	515	499	26.22
17	E'	392	380	22.65
17	E'	392	380	22.65
18	E"	754	732	0.00
18	E"	754	732	0.00
19	E"	597	579	0.00
19	E"	597	579	0.00
20	E"	145	141	0.00
20	E"	145	141	0.00

Atom	x (Å)	y (Å)
C1	1.245	0.719
C2	-1.245	0.719
C3	0.000	-1.438
N4	0.000	1.341
N5	-1.162	-0.671
N6	1.162	-0.671
O7	2.293	1.324
O8	-2.293	1.324
O9	0.000	-2.648
H10	0.000	2.357
H11	-2.041	-1.178
H12	2.041	-1.178

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4899	2.4899	1.3919	2.7789	1.3919	1.2104	3.5896	3.5896	2.0573	3.7942	2.0573
C2	2.4899		2.4899	1.3919	1.3919	2.7789	3.5896	1.2104	3.5896	2.0573	2.0573	3.7942
C3	2.4899	2.4899		2.7789	1.3919	1.3919	3.5896	3.5896	1.2104	3.7942	2.0573	2.0573
N4	1.3919	1.3919	2.7789		2.3232	2.3232	2.2933	2.2933	3.9893	1.0154	3.2426	3.2426
N5	2.7789	1.3919	1.3919	2.3232		2.3232	3.9893	2.2933	2.2933	3.2426	1.0154	3.2426
N6	1.3919	2.7789	1.3919	2.3232	2.3232		2.2933	3.9893	2.2933	3.2426	3.2426	1.0154
O7	1.2104	3.5896	3.5896	2.2933	3.9893	2.2933		4.5865	4.5865	2.5150	5.0047	2.5150
O8	3.5896	1.2104	3.5896	2.2933	2.2933	3.9893	4.5865		4.5865	2.5150	2.5150	5.0047
O9	3.5896	3.5896	1.2104	3.9893	2.2933	2.2933	4.5865	4.5865		5.0047	2.5150	2.5150
H10	2.0573	2.0573	3.7942	1.0154	3.2426	3.2426	2.5150	2.5150	5.0047		4.0819	4.0819
H11	3.7942	2.0573	2.0573	3.2426	1.0154	3.2426	5.0047	2.5150	2.5150	4.0819		4.0819
H12	2.0573	3.7942	2.0573	3.2426	3.2426	1.0154	2.5150	5.0047	2.5150	4.0819	4.0819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.865	C1	N4	H10	116.568
C1	N6	C3	126.865	C1	N6	H12	116.568
C2	N4	H10	116.568	C2	N5	C3	126.865
C2	N5	H11	116.568	C3	N5	H11	116.568
C3	N6	H12	116.568	N4	C1	N6	113.135
N4	C1	O7	123.432	N4	C2	N5	113.135
N4	C2	O8	123.432	N5	C2	O8	123.432
N5	C3	N6	113.135	N5	C3	O9	123.432
N6	C1	O7	123.432	N6	C3	O9	123.432

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

using model chemistry: B3LYP/cc-pVDZ

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: B3LYP/cc-pVDZ

States and conformations

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