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	hartrees
Energy at 0K	-505.347868
Energy at 298.15K	-505.355305
HF Energy	-503.580031
Nuclear repulsion energy	447.949383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3633	3462	0.00
2	A₁'	1831	1744	0.00
3	A₁'	992	945	0.00
4	A₁'	665	634	0.00
5	A₂'	1374	1309	0.00
6	A₂'	1250	1191	0.00
7	A₂'	626	597	0.00
8	A₂"	753	717	51.30
9	A₂"	657	626	265.61
10	A₂"	122	116	1.39
11	E'	3631	3460	176.95
11	E'	3631	3460	176.95
12	E'	1820	1735	1013.61
12	E'	1820	1735	1013.61
13	E'	1478	1408	351.13
13	E'	1478	1408	351.13
14	E'	1399	1333	45.51
14	E'	1399	1333	45.51
15	E'	1037	989	20.18
15	E'	1037	989	20.18
16	E'	514	490	23.71
16	E'	514	490	23.71
17	E'	390	372	25.34
17	E'	390	372	25.34
18	E"	759	723	0.00
18	E"	759	723	0.00
19	E"	590	562	0.00
19	E"	590	562	0.00
20	E"	148	141	0.00
20	E"	148	141	0.00

Atom	x (Å)	y (Å)
C1	1.237	0.714
C2	-1.237	0.714
C3	0.000	-1.429
N4	0.000	1.334
N5	-1.155	-0.667
N6	1.155	-0.667
O7	2.286	1.320
O8	-2.286	1.320
O9	0.000	-2.640
H10	0.000	2.344
H11	-2.030	-1.172
H12	2.030	-1.172

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4746	2.4746	1.3838	2.7628	1.3838	1.2114	3.5754	3.5754	2.0459	3.7725	2.0459
C2	2.4746		2.4746	1.3838	1.3838	2.7628	3.5754	1.2114	3.5754	2.0459	2.0459	3.7725
C3	2.4746	2.4746		2.7628	1.3838	1.3838	3.5754	3.5754	1.2114	3.7725	2.0459	2.0459
N4	1.3838	1.3838	2.7628		2.3107	2.3107	2.2865	2.2865	3.9742	1.0096	3.2249	3.2249
N5	2.7628	1.3838	1.3838	2.3107		2.3107	3.9742	2.2865	2.2865	3.2249	1.0096	3.2249
N6	1.3838	2.7628	1.3838	2.3107	2.3107		2.2865	3.9742	2.2865	3.2249	3.2249	1.0096
O7	1.2114	3.5754	3.5754	2.2865	3.9742	2.2865		4.5729	4.5729	2.5051	4.9839	2.5051
O8	3.5754	1.2114	3.5754	2.2865	2.2865	3.9742	4.5729		4.5729	2.5051	2.5051	4.9839
O9	3.5754	3.5754	1.2114	3.9742	2.2865	2.2865	4.5729	4.5729		4.9839	2.5051	2.5051
H10	2.0459	2.0459	3.7725	1.0096	3.2249	3.2249	2.5051	2.5051	4.9839		4.0595	4.0595
H11	3.7725	2.0459	2.0459	3.2249	1.0096	3.2249	4.9839	2.5051	2.5051	4.0595		4.0595
H12	2.0459	3.7725	2.0459	3.2249	3.2249	1.0096	2.5051	4.9839	2.5051	4.0595	4.0595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.789	C1	N4	H10	116.606
C1	N6	C3	126.789	C1	N6	H12	116.606
C2	N4	H10	116.606	C2	N5	C3	126.789
C2	N5	H11	116.606	C3	N5	H11	116.606
C3	N6	H12	116.606	N4	C1	N6	113.211
N4	C1	O7	123.394	N4	C2	N5	113.211
N4	C2	O8	123.394	N5	C2	O8	123.394
N5	C3	N6	113.211	N5	C3	O9	123.394
N6	C1	O7	123.394	N6	C3	O9	123.394

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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