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	hartrees
Energy at 0K	-504.842901
Energy at 298.15K	-504.850269
HF Energy	-503.428250
Nuclear repulsion energy	445.656654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3659	3478	0.00
2	A₁'	1879	1786	0.00
3	A₁'	994	945	0.00
4	A₁'	667	634	0.00
5	A₂'	1382	1313	0.00
6	A₂'	1263	1200	0.00
7	A₂'	630	599	0.00
8	A₂"	747	710	51.07
9	A₂"	666	633	295.42
10	A₂"	108	103	0.23
11	E'	3658	3477	165.79
11	E'	3658	3477	165.79
12	E'	1876	1783	883.20
12	E'	1876	1783	883.20
13	E'	1497	1423	366.82
13	E'	1497	1423	366.82
14	E'	1408	1338	34.34
14	E'	1408	1338	34.34
15	E'	1047	995	14.42
15	E'	1047	995	14.42
16	E'	514	488	20.43
16	E'	514	488	20.43
17	E'	392	373	23.39
17	E'	392	373	23.39
18	E"	754	717	0.00
18	E"	754	717	0.00
19	E"	592	563	0.00
19	E"	592	563	0.00
20	E"	134	127	0.00
20	E"	134	127	0.00

Atom	x (Å)	y (Å)
C1	1.247	0.720
C2	-1.247	0.720
C3	0.000	-1.440
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	2.355
H11	-2.039	-1.177
H12	2.039	-1.177

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4945	2.4945	1.3921	2.7787	1.3921	1.2143	3.5977	3.5977	2.0562	3.7950	2.0562
C2	2.4945		2.4945	1.3921	1.3921	2.7787	3.5977	1.2143	3.5977	2.0562	2.0562	3.7950
C3	2.4945	2.4945		2.7787	1.3921	1.3921	3.5977	3.5977	1.2143	3.7950	2.0562	2.0562
N4	1.3921	1.3921	2.7787		2.3183	2.3183	2.2989	2.2989	3.9930	1.0163	3.2386	3.2386
N5	2.7787	1.3921	1.3921	2.3183		2.3183	3.9930	2.2989	2.2989	3.2386	1.0163	3.2386
N6	1.3921	2.7787	1.3921	2.3183	2.3183		2.2989	3.9930	2.2989	3.2386	3.2386	1.0163
O7	1.2143	3.5977	3.5977	2.2989	3.9930	2.2989		4.5977	4.5977	2.5181	5.0093	2.5181
O8	3.5977	1.2143	3.5977	2.2989	2.2989	3.9930	4.5977		4.5977	2.5181	2.5181	5.0093
O9	3.5977	3.5977	1.2143	3.9930	2.2989	2.2989	4.5977	4.5977		5.0093	2.5181	2.5181
H10	2.0562	2.0562	3.7950	1.0163	3.2386	3.2386	2.5181	2.5181	5.0093		4.0787	4.0787
H11	3.7950	2.0562	2.0562	3.2386	1.0163	3.2386	5.0093	2.5181	2.5181	4.0787		4.0787
H12	2.0562	3.7950	2.0562	3.2386	3.2386	1.0163	2.5181	5.0093	2.5181	4.0787	4.0787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.254	C1	N4	H10	116.373
C1	N6	C3	127.254	C1	N6	H12	116.373
C2	N4	H10	116.373	C2	N5	C3	127.254
C2	N5	H11	116.373	C3	N5	H11	116.373
C3	N6	H12	116.373	N4	C1	N6	112.746
N4	C1	O7	123.627	N4	C2	N5	112.746
N4	C2	O8	123.627	N5	C2	O8	123.627
N5	C3	N6	112.746	N5	C3	O9	123.627
N6	C1	O7	123.627	N6	C3	O9	123.627

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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