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	hartrees
Energy at 0K	-501.321397
Energy at 298.15K	-501.329406
HF Energy	-500.567401
Nuclear repulsion energy	445.970669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3711	3493	0.00
2	A₁'	1910	1798	0.00
3	A₁'	1037	976	0.00
4	A₁'	690	649	0.00
5	A₂'	1504	1416	0.00
6	A₂'	1272	1197	0.00
7	A₂'	665	626	0.00
8	A₂"	932	877	552.34
9	A₂"	736	693	177.81
10	A₂"	182	171	4.41
11	E'	3706	3489	159.63
11	E'	3706	3489	159.63
12	E'	1891	1780	869.35
12	E'	1891	1780	869.35
13	E'	1514	1425	29.77
13	E'	1514	1425	29.77
14	E'	1477	1391	442.14
14	E'	1477	1391	442.15
15	E'	1071	1008	11.18
15	E'	1071	1008	11.18
16	E'	541	509	26.72
16	E'	541	509	26.72
17	E'	411	387	29.37
17	E'	411	387	29.37
18	E"	846	797	0.00
18	E"	846	797	0.00
19	E"	717	675	0.00
19	E"	717	675	0.00
20	E"	174	164	0.00
20	E"	174	164	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	1.338
N5	-1.159	-0.669
N6	1.159	-0.669
O7	2.299	1.327
O8	-2.299	1.327
O9	0.000	-2.654
H10	0.000	2.345
H11	-2.031	-1.173
H12	2.031	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4873	2.4873	1.3897	2.7742	1.3897	1.2182	3.5943	3.5943	2.0482	3.7814	2.0482
C2	2.4873		2.4873	1.3897	1.3897	2.7742	3.5943	1.2182	3.5943	2.0482	2.0482	3.7814
C3	2.4873	2.4873		2.7742	1.3897	1.3897	3.5943	3.5943	1.2182	3.7814	2.0482	2.0482
N4	1.3897	1.3897	2.7742		2.3177	2.3177	2.2987	2.2987	3.9924	1.0073	3.2295	3.2295
N5	2.7742	1.3897	1.3897	2.3177		2.3177	3.9924	2.2987	2.2987	3.2295	1.0073	3.2295
N6	1.3897	2.7742	1.3897	2.3177	2.3177		2.2987	3.9924	2.2987	3.2295	3.2295	1.0073
O7	1.2182	3.5943	3.5943	2.2987	3.9924	2.2987		4.5974	4.5974	2.5141	4.9997	2.5141
O8	3.5943	1.2182	3.5943	2.2987	2.2987	3.9924	4.5974		4.5974	2.5141	2.5141	4.9997
O9	3.5943	3.5943	1.2182	3.9924	2.2987	2.2987	4.5974	4.5974		4.9997	2.5141	2.5141
H10	2.0482	2.0482	3.7814	1.0073	3.2295	3.2295	2.5141	2.5141	4.9997		4.0623	4.0623
H11	3.7814	2.0482	2.0482	3.2295	1.0073	3.2295	4.9997	2.5141	2.5141	4.0623		4.0623
H12	2.0482	3.7814	2.0482	3.2295	3.2295	1.0073	2.5141	4.9997	2.5141	4.0623	4.0623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.998	C1	N4	H10	116.501
C1	N6	C3	126.998	C1	N6	H12	116.501
C2	N4	H10	116.501	C2	N5	C3	126.998
C2	N5	H11	116.501	C3	N5	H11	116.501
C3	N6	H12	116.501	N4	C1	N6	113.002
N4	C1	O7	123.499	N4	C2	N5	113.002
N4	C2	O8	123.499	N5	C2	O8	123.499
N5	C3	N6	113.002	N5	C3	O9	123.499
N6	C1	O7	123.499	N6	C3	O9	123.499

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

using model chemistry: CISD/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: CISD/3-21G

States and conformations

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